USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 869 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 75 THR OG1 : rot 124:sc= 0.304 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.96 K(o=-0.66,f=-5) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.156 K(o=-0.42,f=-3.8!) USER MOD Set 2.2: A 92 SER OG : rot -120:sc= -0.575 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00556 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 160:sc= -0.896 USER MOD Single : A 38 ASN :FLIP amide:sc= 0.0935 F(o=-0.44,f=0.094) USER MOD Single : A 40 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-6.4!) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 THR OG1 : rot 66:sc= 0.103 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -51:sc= 0.0354 USER MOD Single : A 64 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.3!) USER MOD Single : A 66 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.29) USER MOD Single : A 71 MET CE :methyl -155:sc= -0.149 (180deg=-1.05) USER MOD Single : A 77 MET CE :methyl -164:sc= -3.07 (180deg=-4.25!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.229 F(o=-1.5,f=-0.23) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.475) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 39:sc= 0.98 USER MOD Single : A 116 SER OG : rot 24:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.410 -33.764 -17.811 1.00 0.00 N ATOM 2 CA GLY A 1 -9.363 -32.677 -17.931 1.00 0.00 C ATOM 3 C GLY A 1 -10.088 -32.395 -16.629 1.00 0.00 C ATOM 4 O GLY A 1 -10.938 -33.177 -16.203 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.941 -33.917 -18.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.697 -33.523 -17.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.907 -34.632 -17.527 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.843 -31.776 -18.256 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.092 -32.921 -18.704 1.00 0.00 H new ATOM 8 N SER A 2 -9.752 -31.276 -15.996 1.00 0.00 N ATOM 9 CA SER A 2 -10.373 -30.896 -14.733 1.00 0.00 C ATOM 10 C SER A 2 -11.564 -29.972 -14.969 1.00 0.00 C ATOM 11 O SER A 2 -11.478 -29.014 -15.737 1.00 0.00 O ATOM 12 CB SER A 2 -9.351 -30.208 -13.825 1.00 0.00 C ATOM 13 OG SER A 2 -8.414 -31.140 -13.314 1.00 0.00 O ATOM 0 H SER A 2 -9.053 -30.616 -16.337 1.00 0.00 H new ATOM 0 HA SER A 2 -10.730 -31.803 -14.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.829 -29.431 -14.383 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.866 -29.716 -13.000 1.00 0.00 H new ATOM 0 HG SER A 2 -7.771 -30.675 -12.738 1.00 0.00 H new ATOM 19 N SER A 3 -12.675 -30.268 -14.303 1.00 0.00 N ATOM 20 CA SER A 3 -13.886 -29.467 -14.443 1.00 0.00 C ATOM 21 C SER A 3 -13.911 -28.338 -13.418 1.00 0.00 C ATOM 22 O SER A 3 -13.627 -28.547 -12.239 1.00 0.00 O ATOM 23 CB SER A 3 -15.127 -30.348 -14.279 1.00 0.00 C ATOM 24 OG SER A 3 -15.484 -30.958 -15.507 1.00 0.00 O ATOM 0 H SER A 3 -12.762 -31.056 -13.661 1.00 0.00 H new ATOM 0 HA SER A 3 -13.890 -29.029 -15.441 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.935 -31.116 -13.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.959 -29.746 -13.913 1.00 0.00 H new ATOM 0 HG SER A 3 -16.278 -31.517 -15.376 1.00 0.00 H new ATOM 30 N GLY A 4 -14.254 -27.138 -13.877 1.00 0.00 N ATOM 31 CA GLY A 4 -14.311 -25.992 -12.988 1.00 0.00 C ATOM 32 C GLY A 4 -15.410 -25.019 -13.365 1.00 0.00 C ATOM 33 O GLY A 4 -16.582 -25.250 -13.068 1.00 0.00 O ATOM 0 H GLY A 4 -14.493 -26.939 -14.848 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.470 -26.337 -11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.351 -25.475 -13.005 1.00 0.00 H new ATOM 37 N SER A 5 -15.032 -23.927 -14.021 1.00 0.00 N ATOM 38 CA SER A 5 -15.994 -22.912 -14.435 1.00 0.00 C ATOM 39 C SER A 5 -16.795 -22.403 -13.240 1.00 0.00 C ATOM 40 O SER A 5 -18.014 -22.256 -13.313 1.00 0.00 O ATOM 41 CB SER A 5 -16.942 -23.479 -15.493 1.00 0.00 C ATOM 42 OG SER A 5 -16.430 -23.275 -16.799 1.00 0.00 O ATOM 0 H SER A 5 -14.066 -23.722 -14.277 1.00 0.00 H new ATOM 0 HA SER A 5 -15.441 -22.076 -14.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.090 -24.545 -15.319 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.918 -23.003 -15.403 1.00 0.00 H new ATOM 0 HG SER A 5 -17.054 -23.648 -17.457 1.00 0.00 H new ATOM 48 N SER A 6 -16.098 -22.135 -12.140 1.00 0.00 N ATOM 49 CA SER A 6 -16.742 -21.646 -10.927 1.00 0.00 C ATOM 50 C SER A 6 -16.737 -20.121 -10.886 1.00 0.00 C ATOM 51 O SER A 6 -15.878 -19.476 -11.485 1.00 0.00 O ATOM 52 CB SER A 6 -16.037 -22.204 -9.689 1.00 0.00 C ATOM 53 OG SER A 6 -16.295 -23.589 -9.535 1.00 0.00 O ATOM 0 H SER A 6 -15.087 -22.248 -12.064 1.00 0.00 H new ATOM 0 HA SER A 6 -17.777 -21.988 -10.931 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.963 -22.038 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.374 -21.667 -8.802 1.00 0.00 H new ATOM 0 HG SER A 6 -15.832 -23.921 -8.738 1.00 0.00 H new ATOM 59 N GLY A 7 -17.704 -19.551 -10.173 1.00 0.00 N ATOM 60 CA GLY A 7 -17.793 -18.106 -10.066 1.00 0.00 C ATOM 61 C GLY A 7 -16.870 -17.545 -9.002 1.00 0.00 C ATOM 62 O GLY A 7 -17.052 -17.806 -7.813 1.00 0.00 O ATOM 0 H GLY A 7 -18.427 -20.064 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.547 -17.658 -11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.821 -17.824 -9.836 1.00 0.00 H new ATOM 66 N MET A 8 -15.876 -16.775 -9.430 1.00 0.00 N ATOM 67 CA MET A 8 -14.920 -16.176 -8.505 1.00 0.00 C ATOM 68 C MET A 8 -14.557 -14.760 -8.939 1.00 0.00 C ATOM 69 O MET A 8 -13.887 -14.565 -9.953 1.00 0.00 O ATOM 70 CB MET A 8 -13.657 -17.035 -8.416 1.00 0.00 C ATOM 71 CG MET A 8 -13.905 -18.423 -7.846 1.00 0.00 C ATOM 72 SD MET A 8 -12.633 -19.607 -8.326 1.00 0.00 S ATOM 73 CE MET A 8 -12.049 -20.146 -6.721 1.00 0.00 C ATOM 0 H MET A 8 -15.711 -16.551 -10.411 1.00 0.00 H new ATOM 0 HA MET A 8 -15.387 -16.126 -7.521 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.223 -17.132 -9.411 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.922 -16.522 -7.796 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.948 -18.363 -6.759 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.877 -18.782 -8.184 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.257 -20.883 -6.851 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.661 -19.290 -6.169 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.873 -20.593 -6.165 1.00 0.00 H new ATOM 83 N GLU A 9 -15.003 -13.775 -8.165 1.00 0.00 N ATOM 84 CA GLU A 9 -14.725 -12.377 -8.473 1.00 0.00 C ATOM 85 C GLU A 9 -13.237 -12.164 -8.738 1.00 0.00 C ATOM 86 O GLU A 9 -12.431 -13.080 -8.579 1.00 0.00 O ATOM 87 CB GLU A 9 -15.183 -11.478 -7.322 1.00 0.00 C ATOM 88 CG GLU A 9 -14.249 -11.501 -6.124 1.00 0.00 C ATOM 89 CD GLU A 9 -14.895 -10.942 -4.871 1.00 0.00 C ATOM 90 OE1 GLU A 9 -16.107 -11.171 -4.676 1.00 0.00 O ATOM 91 OE2 GLU A 9 -14.189 -10.277 -4.085 1.00 0.00 O ATOM 0 H GLU A 9 -15.558 -13.919 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.278 -12.113 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.270 -10.454 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.178 -11.789 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.929 -12.526 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.353 -10.924 -6.355 1.00 0.00 H new ATOM 98 N GLU A 10 -12.883 -10.949 -9.144 1.00 0.00 N ATOM 99 CA GLU A 10 -11.493 -10.617 -9.433 1.00 0.00 C ATOM 100 C GLU A 10 -10.942 -9.636 -8.402 1.00 0.00 C ATOM 101 O GLU A 10 -11.663 -9.184 -7.512 1.00 0.00 O ATOM 102 CB GLU A 10 -11.369 -10.020 -10.837 1.00 0.00 C ATOM 103 CG GLU A 10 -11.224 -11.063 -11.932 1.00 0.00 C ATOM 104 CD GLU A 10 -11.790 -10.599 -13.259 1.00 0.00 C ATOM 105 OE1 GLU A 10 -13.029 -10.481 -13.368 1.00 0.00 O ATOM 106 OE2 GLU A 10 -10.994 -10.353 -14.190 1.00 0.00 O ATOM 0 H GLU A 10 -13.538 -10.179 -9.280 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.909 -11.536 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.249 -9.410 -11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.506 -9.354 -10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.169 -11.308 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.730 -11.978 -11.626 1.00 0.00 H new ATOM 113 N VAL A 11 -9.659 -9.313 -8.527 1.00 0.00 N ATOM 114 CA VAL A 11 -9.010 -8.386 -7.607 1.00 0.00 C ATOM 115 C VAL A 11 -7.994 -7.512 -8.333 1.00 0.00 C ATOM 116 O VAL A 11 -7.153 -8.012 -9.081 1.00 0.00 O ATOM 117 CB VAL A 11 -8.303 -9.135 -6.462 1.00 0.00 C ATOM 118 CG1 VAL A 11 -7.096 -8.348 -5.974 1.00 0.00 C ATOM 119 CG2 VAL A 11 -9.273 -9.402 -5.321 1.00 0.00 C ATOM 0 H VAL A 11 -9.048 -9.680 -9.257 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.794 -7.754 -7.188 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.952 -10.095 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.609 -8.893 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.393 -8.214 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.420 -7.373 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.756 -9.932 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.657 -8.455 -4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.102 -10.010 -5.683 1.00 0.00 H new ATOM 129 N ILE A 12 -8.077 -6.206 -8.107 1.00 0.00 N ATOM 130 CA ILE A 12 -7.162 -5.262 -8.738 1.00 0.00 C ATOM 131 C ILE A 12 -6.291 -4.563 -7.700 1.00 0.00 C ATOM 132 O ILE A 12 -6.720 -3.605 -7.058 1.00 0.00 O ATOM 133 CB ILE A 12 -7.924 -4.199 -9.552 1.00 0.00 C ATOM 134 CG1 ILE A 12 -9.044 -4.853 -10.364 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.968 -3.448 -10.466 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.881 -3.864 -11.144 1.00 0.00 C ATOM 0 H ILE A 12 -8.768 -5.777 -7.492 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.528 -5.839 -9.411 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.372 -3.485 -8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.607 -5.573 -11.056 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.692 -5.413 -9.689 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.520 -2.700 -11.035 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.203 -2.955 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.495 -4.150 -11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.655 -4.398 -11.696 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.347 -3.159 -10.456 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.245 -3.322 -11.844 1.00 0.00 H new ATOM 148 N TRP A 13 -5.064 -5.048 -7.543 1.00 0.00 N ATOM 149 CA TRP A 13 -4.131 -4.469 -6.584 1.00 0.00 C ATOM 150 C TRP A 13 -3.509 -3.190 -7.134 1.00 0.00 C ATOM 151 O TRP A 13 -2.606 -3.238 -7.968 1.00 0.00 O ATOM 152 CB TRP A 13 -3.033 -5.476 -6.237 1.00 0.00 C ATOM 153 CG TRP A 13 -3.536 -6.664 -5.475 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.174 -7.757 -5.987 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.443 -6.877 -4.062 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.485 -8.636 -4.979 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.046 -8.120 -3.788 1.00 0.00 C ATOM 158 CE3 TRP A 13 -2.908 -6.140 -3.002 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.128 -8.639 -2.498 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -2.991 -6.656 -1.723 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.597 -7.896 -1.480 1.00 0.00 C ATOM 0 H TRP A 13 -4.693 -5.840 -8.067 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.686 -4.221 -5.679 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.559 -5.818 -7.157 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.264 -4.976 -5.649 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.401 -7.908 -7.032 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.965 -9.528 -5.098 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.438 -5.184 -3.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.594 -9.594 -2.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.582 -6.094 -0.896 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.646 -8.272 -0.469 1.00 0.00 H new ATOM 172 N GLU A 14 -3.999 -2.048 -6.661 1.00 0.00 N ATOM 173 CA GLU A 14 -3.491 -0.756 -7.108 1.00 0.00 C ATOM 174 C GLU A 14 -2.465 -0.205 -6.122 1.00 0.00 C ATOM 175 O GLU A 14 -2.612 -0.356 -4.910 1.00 0.00 O ATOM 176 CB GLU A 14 -4.640 0.240 -7.275 1.00 0.00 C ATOM 177 CG GLU A 14 -5.744 -0.253 -8.196 1.00 0.00 C ATOM 178 CD GLU A 14 -6.466 0.880 -8.899 1.00 0.00 C ATOM 179 OE1 GLU A 14 -5.784 1.731 -9.507 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.713 0.915 -8.841 1.00 0.00 O ATOM 0 H GLU A 14 -4.746 -1.991 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.003 -0.900 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.066 0.458 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.244 1.177 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.318 -0.925 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.463 -0.833 -7.617 1.00 0.00 H new ATOM 187 N GLN A 15 -1.427 0.434 -6.652 1.00 0.00 N ATOM 188 CA GLN A 15 -0.376 1.006 -5.819 1.00 0.00 C ATOM 189 C GLN A 15 -0.666 2.471 -5.507 1.00 0.00 C ATOM 190 O GLN A 15 -1.254 3.184 -6.320 1.00 0.00 O ATOM 191 CB GLN A 15 0.981 0.879 -6.514 1.00 0.00 C ATOM 192 CG GLN A 15 1.743 -0.380 -6.134 1.00 0.00 C ATOM 193 CD GLN A 15 3.073 -0.496 -6.854 1.00 0.00 C ATOM 194 OE1 GLN A 15 3.072 -0.208 -8.150 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 4.090 -0.842 -6.251 1.00 0.00 N flip ATOM 0 H GLN A 15 -1.291 0.569 -7.654 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.349 0.452 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.830 0.890 -7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.589 1.750 -6.268 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.915 -0.385 -5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.132 -1.253 -6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.045 -1.054 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.977 -0.917 -6.748 1.00 0.00 H new ATOM 204 N TYR A 16 -0.249 2.912 -4.326 1.00 0.00 N ATOM 205 CA TYR A 16 -0.467 4.291 -3.905 1.00 0.00 C ATOM 206 C TYR A 16 0.816 4.899 -3.345 1.00 0.00 C ATOM 207 O TYR A 16 1.286 4.510 -2.276 1.00 0.00 O ATOM 208 CB TYR A 16 -1.576 4.357 -2.855 1.00 0.00 C ATOM 209 CG TYR A 16 -2.922 3.892 -3.364 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.147 2.554 -3.667 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.967 4.789 -3.545 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.374 2.124 -4.134 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.198 4.368 -4.010 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.396 3.034 -4.303 1.00 0.00 C ATOM 215 OH TYR A 16 -6.620 2.611 -4.767 1.00 0.00 O ATOM 0 H TYR A 16 0.242 2.335 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.769 4.867 -4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.290 3.746 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.667 5.383 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.349 1.838 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.815 5.834 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.532 1.081 -4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.000 5.078 -4.143 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.229 3.376 -4.828 1.00 0.00 H new ATOM 225 N THR A 17 1.378 5.856 -4.077 1.00 0.00 N ATOM 226 CA THR A 17 2.606 6.519 -3.655 1.00 0.00 C ATOM 227 C THR A 17 2.307 7.849 -2.975 1.00 0.00 C ATOM 228 O THR A 17 2.009 8.844 -3.636 1.00 0.00 O ATOM 229 CB THR A 17 3.549 6.765 -4.848 1.00 0.00 C ATOM 230 OG1 THR A 17 3.717 5.557 -5.598 1.00 0.00 O ATOM 231 CG2 THR A 17 4.904 7.266 -4.372 1.00 0.00 C ATOM 0 H THR A 17 1.002 6.189 -4.965 1.00 0.00 H new ATOM 0 HA THR A 17 3.097 5.854 -2.944 1.00 0.00 H new ATOM 0 HB THR A 17 3.101 7.527 -5.485 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.316 5.723 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.553 7.433 -5.232 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.775 8.202 -3.828 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.356 6.523 -3.715 1.00 0.00 H new ATOM 239 N VAL A 18 2.390 7.862 -1.648 1.00 0.00 N ATOM 240 CA VAL A 18 2.130 9.072 -0.877 1.00 0.00 C ATOM 241 C VAL A 18 3.330 9.441 -0.013 1.00 0.00 C ATOM 242 O VAL A 18 4.047 8.569 0.480 1.00 0.00 O ATOM 243 CB VAL A 18 0.892 8.908 0.025 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.383 9.134 -0.772 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.887 7.533 0.677 1.00 0.00 C ATOM 0 H VAL A 18 2.635 7.048 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 18 1.943 9.871 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 18 0.936 9.659 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.247 9.014 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.379 10.142 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.438 8.408 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.006 7.434 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.867 6.764 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.785 7.415 1.283 1.00 0.00 H new ATOM 255 N THR A 19 3.544 10.741 0.169 1.00 0.00 N ATOM 256 CA THR A 19 4.658 11.226 0.974 1.00 0.00 C ATOM 257 C THR A 19 4.180 11.719 2.335 1.00 0.00 C ATOM 258 O THR A 19 3.225 12.492 2.426 1.00 0.00 O ATOM 259 CB THR A 19 5.409 12.368 0.262 1.00 0.00 C ATOM 260 OG1 THR A 19 4.536 13.029 -0.660 1.00 0.00 O ATOM 261 CG2 THR A 19 6.628 11.836 -0.477 1.00 0.00 C ATOM 0 H THR A 19 2.960 11.476 -0.230 1.00 0.00 H new ATOM 0 HA THR A 19 5.337 10.385 1.114 1.00 0.00 H new ATOM 0 HB THR A 19 5.744 13.079 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.021 13.754 -1.107 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.142 12.660 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.305 11.360 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.312 11.106 -1.222 1.00 0.00 H new ATOM 269 N LEU A 20 4.848 11.267 3.390 1.00 0.00 N ATOM 270 CA LEU A 20 4.492 11.663 4.748 1.00 0.00 C ATOM 271 C LEU A 20 5.543 12.597 5.337 1.00 0.00 C ATOM 272 O LEU A 20 6.689 12.618 4.889 1.00 0.00 O ATOM 273 CB LEU A 20 4.337 10.427 5.636 1.00 0.00 C ATOM 274 CG LEU A 20 3.507 9.282 5.054 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.991 7.944 5.593 1.00 0.00 C ATOM 276 CD2 LEU A 20 2.031 9.481 5.365 1.00 0.00 C ATOM 0 H LEU A 20 5.639 10.626 3.331 1.00 0.00 H new ATOM 0 HA LEU A 20 3.542 12.196 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.331 10.046 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.883 10.736 6.578 1.00 0.00 H new ATOM 0 HG LEU A 20 3.633 9.282 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.389 7.141 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.036 7.798 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.896 7.933 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.456 8.657 4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.887 9.508 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.691 10.421 4.930 1.00 0.00 H new ATOM 288 N GLN A 21 5.145 13.367 6.345 1.00 0.00 N ATOM 289 CA GLN A 21 6.055 14.303 6.996 1.00 0.00 C ATOM 290 C GLN A 21 6.317 13.891 8.441 1.00 0.00 C ATOM 291 O GLN A 21 5.386 13.602 9.194 1.00 0.00 O ATOM 292 CB GLN A 21 5.479 15.719 6.953 1.00 0.00 C ATOM 293 CG GLN A 21 5.106 16.183 5.554 1.00 0.00 C ATOM 294 CD GLN A 21 4.610 17.615 5.526 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.411 17.867 5.405 1.00 0.00 O ATOM 296 NE2 GLN A 21 5.533 18.563 5.639 1.00 0.00 N ATOM 0 H GLN A 21 4.200 13.361 6.728 1.00 0.00 H new ATOM 0 HA GLN A 21 7.002 14.287 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.595 15.762 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.208 16.412 7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.974 16.091 4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.334 15.527 5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.516 18.309 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.259 19.545 5.627 1.00 0.00 H new ATOM 305 N LYS A 22 7.589 13.866 8.822 1.00 0.00 N ATOM 306 CA LYS A 22 7.975 13.491 10.177 1.00 0.00 C ATOM 307 C LYS A 22 7.474 14.516 11.190 1.00 0.00 C ATOM 308 O LYS A 22 8.159 15.495 11.486 1.00 0.00 O ATOM 309 CB LYS A 22 9.496 13.360 10.279 1.00 0.00 C ATOM 310 CG LYS A 22 9.955 12.458 11.411 1.00 0.00 C ATOM 311 CD LYS A 22 11.167 11.633 11.011 1.00 0.00 C ATOM 312 CE LYS A 22 10.760 10.276 10.458 1.00 0.00 C ATOM 313 NZ LYS A 22 10.713 9.235 11.522 1.00 0.00 N ATOM 0 H LYS A 22 8.371 14.101 8.211 1.00 0.00 H new ATOM 0 HA LYS A 22 7.517 12.528 10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.883 12.972 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.929 14.351 10.417 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.198 13.064 12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.141 11.793 11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.745 12.174 10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.816 11.495 11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.782 10.356 9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.465 9.973 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.432 8.325 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.653 9.141 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.021 9.512 12.248 1.00 0.00 H new ATOM 327 N ASP A 23 6.277 14.284 11.717 1.00 0.00 N ATOM 328 CA ASP A 23 5.686 15.186 12.698 1.00 0.00 C ATOM 329 C ASP A 23 6.608 15.361 13.901 1.00 0.00 C ATOM 330 O ASP A 23 7.648 14.710 13.998 1.00 0.00 O ATOM 331 CB ASP A 23 4.326 14.656 13.155 1.00 0.00 C ATOM 332 CG ASP A 23 3.450 15.743 13.748 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.970 16.602 12.979 1.00 0.00 O ATOM 334 OD2 ASP A 23 3.246 15.735 14.980 1.00 0.00 O ATOM 0 H ASP A 23 5.697 13.479 11.481 1.00 0.00 H new ATOM 0 HA ASP A 23 5.548 16.158 12.224 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.813 14.202 12.307 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.476 13.870 13.895 1.00 0.00 H new ATOM 339 N SER A 24 6.220 16.245 14.814 1.00 0.00 N ATOM 340 CA SER A 24 7.014 16.510 16.008 1.00 0.00 C ATOM 341 C SER A 24 7.297 15.218 16.769 1.00 0.00 C ATOM 342 O SER A 24 8.448 14.799 16.898 1.00 0.00 O ATOM 343 CB SER A 24 6.289 17.503 16.919 1.00 0.00 C ATOM 344 OG SER A 24 4.972 17.065 17.205 1.00 0.00 O ATOM 0 H SER A 24 5.360 16.790 14.750 1.00 0.00 H new ATOM 0 HA SER A 24 7.964 16.943 15.694 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.846 17.622 17.848 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.254 18.482 16.441 1.00 0.00 H new ATOM 0 HG SER A 24 4.531 17.716 17.790 1.00 0.00 H new ATOM 350 N LYS A 25 6.240 14.591 17.272 1.00 0.00 N ATOM 351 CA LYS A 25 6.372 13.346 18.019 1.00 0.00 C ATOM 352 C LYS A 25 5.791 12.175 17.233 1.00 0.00 C ATOM 353 O LYS A 25 6.090 11.015 17.518 1.00 0.00 O ATOM 354 CB LYS A 25 5.669 13.463 19.374 1.00 0.00 C ATOM 355 CG LYS A 25 6.431 14.304 20.384 1.00 0.00 C ATOM 356 CD LYS A 25 7.681 13.592 20.871 1.00 0.00 C ATOM 357 CE LYS A 25 7.348 12.521 21.899 1.00 0.00 C ATOM 358 NZ LYS A 25 8.510 11.629 22.167 1.00 0.00 N ATOM 0 H LYS A 25 5.281 14.925 17.176 1.00 0.00 H new ATOM 0 HA LYS A 25 7.434 13.160 18.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.680 13.897 19.225 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.520 12.464 19.784 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.707 15.257 19.932 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.785 14.529 21.233 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.195 13.138 20.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.367 14.317 21.309 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.032 12.995 22.828 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.507 11.925 21.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.243 10.913 22.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.796 11.157 21.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.304 12.193 22.530 1.00 0.00 H new ATOM 372 N ARG A 26 4.961 12.487 16.243 1.00 0.00 N ATOM 373 CA ARG A 26 4.339 11.460 15.416 1.00 0.00 C ATOM 374 C ARG A 26 4.865 11.522 13.984 1.00 0.00 C ATOM 375 O ARG A 26 4.106 11.744 13.042 1.00 0.00 O ATOM 376 CB ARG A 26 2.818 11.624 15.419 1.00 0.00 C ATOM 377 CG ARG A 26 2.243 11.947 16.788 1.00 0.00 C ATOM 378 CD ARG A 26 2.000 10.685 17.602 1.00 0.00 C ATOM 379 NE ARG A 26 3.205 10.240 18.295 1.00 0.00 N ATOM 380 CZ ARG A 26 3.223 9.241 19.171 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.105 8.588 19.459 1.00 0.00 N ATOM 382 NH2 ARG A 26 4.360 8.894 19.760 1.00 0.00 N ATOM 0 H ARG A 26 4.704 13.442 15.994 1.00 0.00 H new ATOM 0 HA ARG A 26 4.594 10.487 15.837 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.545 12.418 14.723 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.361 10.706 15.050 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.928 12.602 17.326 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.306 12.492 16.671 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.210 10.870 18.330 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.647 9.891 16.944 1.00 0.00 H new ATOM 0 HE ARG A 26 4.081 10.722 18.096 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.229 8.852 19.008 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.121 7.821 20.132 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.221 9.394 19.541 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.373 8.127 20.432 1.00 0.00 H new ATOM 396 N GLY A 27 6.171 11.325 13.830 1.00 0.00 N ATOM 397 CA GLY A 27 6.777 11.363 12.512 1.00 0.00 C ATOM 398 C GLY A 27 5.789 11.033 11.410 1.00 0.00 C ATOM 399 O GLY A 27 5.115 11.920 10.885 1.00 0.00 O ATOM 0 H GLY A 27 6.820 11.140 14.595 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.195 12.354 12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.606 10.656 12.476 1.00 0.00 H new ATOM 403 N PHE A 28 5.703 9.755 11.058 1.00 0.00 N ATOM 404 CA PHE A 28 4.792 9.310 10.010 1.00 0.00 C ATOM 405 C PHE A 28 3.531 8.695 10.610 1.00 0.00 C ATOM 406 O PHE A 28 2.678 8.176 9.891 1.00 0.00 O ATOM 407 CB PHE A 28 5.485 8.295 9.099 1.00 0.00 C ATOM 408 CG PHE A 28 6.864 8.713 8.674 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.093 9.987 8.180 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.930 7.834 8.769 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.361 10.375 7.787 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.199 8.216 8.379 1.00 0.00 C ATOM 413 CZ PHE A 28 9.415 9.488 7.888 1.00 0.00 C ATOM 0 H PHE A 28 6.253 9.009 11.483 1.00 0.00 H new ATOM 0 HA PHE A 28 4.505 10.180 9.420 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.548 7.338 9.617 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.872 8.138 8.211 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.272 10.685 8.101 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.767 6.838 9.153 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.527 11.370 7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.021 7.520 8.458 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.406 9.789 7.583 1.00 0.00 H new ATOM 423 N GLY A 29 3.422 8.757 11.933 1.00 0.00 N ATOM 424 CA GLY A 29 2.263 8.202 12.608 1.00 0.00 C ATOM 425 C GLY A 29 1.772 6.923 11.960 1.00 0.00 C ATOM 426 O GLY A 29 0.597 6.808 11.611 1.00 0.00 O ATOM 0 H GLY A 29 4.115 9.181 12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.513 8.005 13.650 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.459 8.938 12.607 1.00 0.00 H new ATOM 430 N ILE A 30 2.673 5.960 11.798 1.00 0.00 N ATOM 431 CA ILE A 30 2.325 4.683 11.187 1.00 0.00 C ATOM 432 C ILE A 30 3.086 3.535 11.841 1.00 0.00 C ATOM 433 O ILE A 30 4.221 3.703 12.285 1.00 0.00 O ATOM 434 CB ILE A 30 2.618 4.684 9.675 1.00 0.00 C ATOM 435 CG1 ILE A 30 3.966 5.351 9.395 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.503 5.393 8.920 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.661 4.815 8.164 1.00 0.00 C ATOM 0 H ILE A 30 3.650 6.040 12.081 1.00 0.00 H new ATOM 0 HA ILE A 30 1.255 4.540 11.341 1.00 0.00 H new ATOM 0 HB ILE A 30 2.666 3.652 9.328 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.814 6.424 9.278 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.617 5.213 10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.724 5.386 7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.559 4.879 9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.426 6.423 9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.610 5.333 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.845 3.748 8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.030 4.977 7.290 1.00 0.00 H new ATOM 449 N ALA A 31 2.454 2.367 11.894 1.00 0.00 N ATOM 450 CA ALA A 31 3.073 1.190 12.489 1.00 0.00 C ATOM 451 C ALA A 31 2.901 -0.033 11.594 1.00 0.00 C ATOM 452 O ALA A 31 1.798 -0.325 11.130 1.00 0.00 O ATOM 453 CB ALA A 31 2.485 0.924 13.867 1.00 0.00 C ATOM 0 H ALA A 31 1.513 2.211 11.532 1.00 0.00 H new ATOM 0 HA ALA A 31 4.140 1.385 12.592 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.957 0.042 14.300 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.665 1.784 14.512 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.412 0.755 13.778 1.00 0.00 H new ATOM 459 N VAL A 32 3.997 -0.744 11.355 1.00 0.00 N ATOM 460 CA VAL A 32 3.968 -1.936 10.515 1.00 0.00 C ATOM 461 C VAL A 32 3.913 -3.203 11.361 1.00 0.00 C ATOM 462 O VAL A 32 4.488 -3.261 12.448 1.00 0.00 O ATOM 463 CB VAL A 32 5.197 -2.002 9.590 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.147 -0.888 8.555 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.480 -1.927 10.404 1.00 0.00 C ATOM 0 H VAL A 32 4.917 -0.516 11.731 1.00 0.00 H new ATOM 0 HA VAL A 32 3.067 -1.871 9.905 1.00 0.00 H new ATOM 0 HB VAL A 32 5.183 -2.956 9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.024 -0.951 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.245 -0.992 7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.137 0.078 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.339 -1.975 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.504 -0.989 10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.517 -2.763 11.102 1.00 0.00 H new ATOM 475 N SER A 33 3.219 -4.217 10.854 1.00 0.00 N ATOM 476 CA SER A 33 3.086 -5.483 11.565 1.00 0.00 C ATOM 477 C SER A 33 3.391 -6.659 10.641 1.00 0.00 C ATOM 478 O SER A 33 2.832 -6.767 9.551 1.00 0.00 O ATOM 479 CB SER A 33 1.676 -5.624 12.141 1.00 0.00 C ATOM 480 OG SER A 33 0.703 -5.625 11.111 1.00 0.00 O ATOM 0 H SER A 33 2.740 -4.186 9.954 1.00 0.00 H new ATOM 0 HA SER A 33 3.806 -5.489 12.383 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.605 -6.548 12.714 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.478 -4.804 12.832 1.00 0.00 H new ATOM 0 HG SER A 33 -0.126 -6.027 11.445 1.00 0.00 H new ATOM 486 N GLY A 34 4.282 -7.539 11.088 1.00 0.00 N ATOM 487 CA GLY A 34 4.647 -8.695 10.290 1.00 0.00 C ATOM 488 C GLY A 34 6.106 -9.073 10.450 1.00 0.00 C ATOM 489 O GLY A 34 6.692 -8.879 11.514 1.00 0.00 O ATOM 0 H GLY A 34 4.757 -7.472 11.988 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.022 -9.541 10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.442 -8.487 9.240 1.00 0.00 H new ATOM 493 N GLY A 35 6.695 -9.616 9.389 1.00 0.00 N ATOM 494 CA GLY A 35 8.090 -10.015 9.437 1.00 0.00 C ATOM 495 C GLY A 35 8.323 -11.383 8.828 1.00 0.00 C ATOM 496 O GLY A 35 7.808 -12.386 9.322 1.00 0.00 O ATOM 0 H GLY A 35 6.231 -9.787 8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.694 -9.278 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.428 -10.020 10.473 1.00 0.00 H new ATOM 500 N ARG A 36 9.099 -11.425 7.750 1.00 0.00 N ATOM 501 CA ARG A 36 9.397 -12.680 7.071 1.00 0.00 C ATOM 502 C ARG A 36 9.810 -13.755 8.071 1.00 0.00 C ATOM 503 O ARG A 36 9.668 -14.949 7.809 1.00 0.00 O ATOM 504 CB ARG A 36 10.507 -12.475 6.038 1.00 0.00 C ATOM 505 CG ARG A 36 11.850 -12.114 6.651 1.00 0.00 C ATOM 506 CD ARG A 36 13.003 -12.523 5.748 1.00 0.00 C ATOM 507 NE ARG A 36 14.237 -12.738 6.499 1.00 0.00 N ATOM 508 CZ ARG A 36 15.361 -13.186 5.951 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.407 -13.464 4.656 1.00 0.00 N ATOM 510 NH2 ARG A 36 16.443 -13.357 6.700 1.00 0.00 N ATOM 0 H ARG A 36 9.533 -10.604 7.328 1.00 0.00 H new ATOM 0 HA ARG A 36 8.492 -13.011 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.618 -13.387 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.208 -11.686 5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.892 -11.040 6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.953 -12.605 7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.739 -13.436 5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.166 -11.751 4.996 1.00 0.00 H new ATOM 0 HE ARG A 36 14.236 -12.533 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.578 -13.334 4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.272 -13.808 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.412 -13.144 7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.306 -13.701 6.279 1.00 0.00 H new ATOM 524 N ASP A 37 10.324 -13.323 9.218 1.00 0.00 N ATOM 525 CA ASP A 37 10.758 -14.248 10.258 1.00 0.00 C ATOM 526 C ASP A 37 9.822 -14.191 11.461 1.00 0.00 C ATOM 527 O ASP A 37 9.673 -15.170 12.191 1.00 0.00 O ATOM 528 CB ASP A 37 12.188 -13.925 10.693 1.00 0.00 C ATOM 529 CG ASP A 37 12.823 -15.055 11.480 1.00 0.00 C ATOM 530 OD1 ASP A 37 13.204 -16.069 10.859 1.00 0.00 O ATOM 531 OD2 ASP A 37 12.938 -14.925 12.717 1.00 0.00 O ATOM 0 H ASP A 37 10.450 -12.338 9.451 1.00 0.00 H new ATOM 0 HA ASP A 37 10.731 -15.257 9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.794 -13.715 9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.184 -13.020 11.301 1.00 0.00 H new ATOM 536 N ASN A 38 9.194 -13.036 11.662 1.00 0.00 N ATOM 537 CA ASN A 38 8.274 -12.851 12.778 1.00 0.00 C ATOM 538 C ASN A 38 6.996 -12.154 12.319 1.00 0.00 C ATOM 539 O ASN A 38 6.725 -11.006 12.670 1.00 0.00 O ATOM 540 CB ASN A 38 8.942 -12.036 13.887 1.00 0.00 C ATOM 541 CG ASN A 38 8.079 -11.934 15.130 1.00 0.00 C ATOM 542 OD1 ASN A 38 8.321 -12.817 16.092 1.00 0.00 O flip ATOM 543 ND2 ASN A 38 7.205 -11.072 15.224 1.00 0.00 N flip ATOM 0 H ASN A 38 9.306 -12.215 11.067 1.00 0.00 H new ATOM 0 HA ASN A 38 8.011 -13.835 13.167 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.896 -12.495 14.147 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.161 -11.034 13.517 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.054 -10.414 14.460 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.632 -11.016 16.066 1.00 0.00 H new ATOM 550 N PRO A 39 6.190 -12.865 11.516 1.00 0.00 N ATOM 551 CA PRO A 39 4.927 -12.336 10.993 1.00 0.00 C ATOM 552 C PRO A 39 3.869 -12.181 12.080 1.00 0.00 C ATOM 553 O PRO A 39 3.002 -13.040 12.244 1.00 0.00 O ATOM 554 CB PRO A 39 4.495 -13.394 9.974 1.00 0.00 C ATOM 555 CG PRO A 39 5.145 -14.652 10.435 1.00 0.00 C ATOM 556 CD PRO A 39 6.450 -14.240 11.058 1.00 0.00 C ATOM 0 HA PRO A 39 5.047 -11.339 10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.410 -13.496 9.946 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.817 -13.128 8.967 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.516 -15.175 11.156 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.309 -15.335 9.601 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.724 -14.894 11.886 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.268 -14.276 10.338 1.00 0.00 H new ATOM 564 N HIS A 40 3.945 -11.080 12.821 1.00 0.00 N ATOM 565 CA HIS A 40 2.993 -10.811 13.892 1.00 0.00 C ATOM 566 C HIS A 40 1.569 -11.131 13.446 1.00 0.00 C ATOM 567 O HIS A 40 0.791 -11.722 14.195 1.00 0.00 O ATOM 568 CB HIS A 40 3.086 -9.350 14.332 1.00 0.00 C ATOM 569 CG HIS A 40 1.848 -8.849 15.010 1.00 0.00 C ATOM 570 ND1 HIS A 40 0.602 -8.882 14.423 1.00 0.00 N ATOM 571 CD2 HIS A 40 1.671 -8.301 16.235 1.00 0.00 C ATOM 572 CE1 HIS A 40 -0.289 -8.375 15.256 1.00 0.00 C ATOM 573 NE2 HIS A 40 0.334 -8.015 16.364 1.00 0.00 N ATOM 0 H HIS A 40 4.657 -10.360 12.699 1.00 0.00 H new ATOM 0 HA HIS A 40 3.244 -11.453 14.737 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.933 -9.236 15.009 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.290 -8.729 13.460 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.438 -8.122 16.974 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.347 -8.272 15.064 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.106 -7.593 17.182 1.00 0.00 H new ATOM 582 N PHE A 41 1.235 -10.735 12.222 1.00 0.00 N ATOM 583 CA PHE A 41 -0.096 -10.978 11.677 1.00 0.00 C ATOM 584 C PHE A 41 -0.702 -12.248 12.267 1.00 0.00 C ATOM 585 O PHE A 41 -0.416 -13.354 11.811 1.00 0.00 O ATOM 586 CB PHE A 41 -0.033 -11.091 10.152 1.00 0.00 C ATOM 587 CG PHE A 41 -1.256 -10.560 9.461 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.522 -10.859 9.937 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.139 -9.762 8.334 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.649 -10.371 9.303 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.263 -9.271 7.696 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.519 -9.577 8.181 1.00 0.00 C ATOM 0 H PHE A 41 1.867 -10.245 11.589 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.731 -10.134 11.946 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.842 -10.550 9.791 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.104 -12.137 9.878 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.630 -11.481 10.814 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.159 -9.521 7.950 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.630 -10.611 9.685 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.159 -8.649 6.819 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.398 -9.196 7.683 1.00 0.00 H new ATOM 602 N GLU A 42 -1.540 -12.079 13.286 1.00 0.00 N ATOM 603 CA GLU A 42 -2.185 -13.211 13.940 1.00 0.00 C ATOM 604 C GLU A 42 -2.415 -14.351 12.952 1.00 0.00 C ATOM 605 O GLU A 42 -2.093 -15.504 13.233 1.00 0.00 O ATOM 606 CB GLU A 42 -3.517 -12.780 14.557 1.00 0.00 C ATOM 607 CG GLU A 42 -3.406 -12.363 16.014 1.00 0.00 C ATOM 608 CD GLU A 42 -2.485 -11.175 16.212 1.00 0.00 C ATOM 609 OE1 GLU A 42 -2.930 -10.033 15.974 1.00 0.00 O ATOM 610 OE2 GLU A 42 -1.319 -11.388 16.606 1.00 0.00 O ATOM 0 H GLU A 42 -1.787 -11.169 13.676 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.524 -13.566 14.731 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.923 -11.949 13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.228 -13.602 14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.397 -12.117 16.394 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.039 -13.204 16.602 1.00 0.00 H new ATOM 617 N ASN A 43 -2.974 -14.018 11.793 1.00 0.00 N ATOM 618 CA ASN A 43 -3.249 -15.014 10.763 1.00 0.00 C ATOM 619 C ASN A 43 -1.955 -15.649 10.262 1.00 0.00 C ATOM 620 O ASN A 43 -1.790 -16.867 10.311 1.00 0.00 O ATOM 621 CB ASN A 43 -4.002 -14.375 9.595 1.00 0.00 C ATOM 622 CG ASN A 43 -4.857 -15.376 8.841 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.597 -16.579 8.872 1.00 0.00 O ATOM 624 ND2 ASN A 43 -5.884 -14.882 8.159 1.00 0.00 N ATOM 0 H ASN A 43 -3.245 -13.067 11.543 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.870 -15.794 11.203 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.635 -13.571 9.971 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.286 -13.923 8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.495 -15.507 7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.062 -13.878 8.161 1.00 0.00 H new ATOM 631 N GLY A 44 -1.040 -14.814 9.780 1.00 0.00 N ATOM 632 CA GLY A 44 0.227 -15.311 9.278 1.00 0.00 C ATOM 633 C GLY A 44 0.549 -14.785 7.893 1.00 0.00 C ATOM 634 O GLY A 44 0.341 -15.475 6.896 1.00 0.00 O ATOM 0 H GLY A 44 -1.154 -13.802 9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.023 -15.026 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.202 -16.400 9.253 1.00 0.00 H new ATOM 638 N GLU A 45 1.057 -13.558 7.832 1.00 0.00 N ATOM 639 CA GLU A 45 1.405 -12.939 6.558 1.00 0.00 C ATOM 640 C GLU A 45 2.779 -12.278 6.632 1.00 0.00 C ATOM 641 O GLU A 45 3.006 -11.380 7.444 1.00 0.00 O ATOM 642 CB GLU A 45 0.350 -11.904 6.163 1.00 0.00 C ATOM 643 CG GLU A 45 0.750 -11.051 4.971 1.00 0.00 C ATOM 644 CD GLU A 45 0.303 -11.647 3.651 1.00 0.00 C ATOM 645 OE1 GLU A 45 0.346 -12.887 3.514 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.091 -10.872 2.754 1.00 0.00 O ATOM 0 H GLU A 45 1.237 -12.974 8.649 1.00 0.00 H new ATOM 0 HA GLU A 45 1.437 -13.722 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.583 -12.418 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.155 -11.253 7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.319 -10.056 5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.833 -10.930 4.963 1.00 0.00 H new ATOM 653 N THR A 46 3.693 -12.729 5.778 1.00 0.00 N ATOM 654 CA THR A 46 5.044 -12.184 5.747 1.00 0.00 C ATOM 655 C THR A 46 5.125 -10.966 4.833 1.00 0.00 C ATOM 656 O THR A 46 5.978 -10.897 3.949 1.00 0.00 O ATOM 657 CB THR A 46 6.063 -13.236 5.272 1.00 0.00 C ATOM 658 OG1 THR A 46 5.707 -13.709 3.968 1.00 0.00 O ATOM 659 CG2 THR A 46 6.126 -14.406 6.242 1.00 0.00 C ATOM 0 H THR A 46 3.522 -13.470 5.099 1.00 0.00 H new ATOM 0 HA THR A 46 5.288 -11.887 6.767 1.00 0.00 H new ATOM 0 HB THR A 46 7.045 -12.765 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.789 -12.977 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.853 -15.136 5.885 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.426 -14.047 7.226 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.144 -14.875 6.311 1.00 0.00 H new ATOM 667 N SER A 47 4.231 -10.007 5.053 1.00 0.00 N ATOM 668 CA SER A 47 4.199 -8.792 4.247 1.00 0.00 C ATOM 669 C SER A 47 4.020 -7.560 5.129 1.00 0.00 C ATOM 670 O SER A 47 3.045 -7.452 5.872 1.00 0.00 O ATOM 671 CB SER A 47 3.069 -8.866 3.219 1.00 0.00 C ATOM 672 OG SER A 47 3.396 -8.138 2.048 1.00 0.00 O ATOM 0 H SER A 47 3.519 -10.048 5.783 1.00 0.00 H new ATOM 0 HA SER A 47 5.151 -8.708 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.875 -9.907 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.151 -8.469 3.653 1.00 0.00 H new ATOM 0 HG SER A 47 2.658 -8.202 1.406 1.00 0.00 H new ATOM 678 N ILE A 48 4.969 -6.633 5.039 1.00 0.00 N ATOM 679 CA ILE A 48 4.916 -5.408 5.827 1.00 0.00 C ATOM 680 C ILE A 48 3.611 -4.656 5.587 1.00 0.00 C ATOM 681 O ILE A 48 3.413 -4.056 4.530 1.00 0.00 O ATOM 682 CB ILE A 48 6.099 -4.478 5.501 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.421 -5.240 5.613 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.096 -3.272 6.429 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.646 -5.863 6.973 1.00 0.00 C ATOM 0 H ILE A 48 5.783 -6.707 4.429 1.00 0.00 H new ATOM 0 HA ILE A 48 4.975 -5.703 6.875 1.00 0.00 H new ATOM 0 HB ILE A 48 5.992 -4.123 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.445 -6.023 4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.243 -4.559 5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.938 -2.624 6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.165 -2.719 6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.183 -3.608 7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.602 -6.387 6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.655 -5.083 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.844 -6.569 7.187 1.00 0.00 H new ATOM 697 N VAL A 49 2.724 -4.691 6.576 1.00 0.00 N ATOM 698 CA VAL A 49 1.438 -4.010 6.474 1.00 0.00 C ATOM 699 C VAL A 49 1.270 -2.984 7.590 1.00 0.00 C ATOM 700 O VAL A 49 1.773 -3.170 8.698 1.00 0.00 O ATOM 701 CB VAL A 49 0.268 -5.010 6.530 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.088 -5.493 5.132 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.611 -6.181 7.437 1.00 0.00 C ATOM 0 H VAL A 49 2.872 -5.183 7.457 1.00 0.00 H new ATOM 0 HA VAL A 49 1.424 -3.500 5.511 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.602 -4.502 6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.917 -6.199 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.379 -4.642 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.776 -5.985 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.227 -6.877 7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.495 -6.691 7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.812 -5.815 8.444 1.00 0.00 H new ATOM 713 N ILE A 50 0.559 -1.903 7.289 1.00 0.00 N ATOM 714 CA ILE A 50 0.323 -0.848 8.267 1.00 0.00 C ATOM 715 C ILE A 50 -0.866 -1.183 9.161 1.00 0.00 C ATOM 716 O ILE A 50 -2.019 -1.066 8.746 1.00 0.00 O ATOM 717 CB ILE A 50 0.070 0.508 7.582 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.343 1.001 6.891 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.417 1.531 8.598 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.281 1.747 7.814 1.00 0.00 C ATOM 0 H ILE A 50 0.136 -1.735 6.376 1.00 0.00 H new ATOM 0 HA ILE A 50 1.224 -0.776 8.877 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.704 0.378 6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.869 0.147 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.068 1.653 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.592 2.484 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.346 1.182 9.049 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.337 1.660 9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.162 2.067 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.772 2.621 8.221 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.586 1.092 8.630 1.00 0.00 H new ATOM 732 N SER A 51 -0.577 -1.600 10.389 1.00 0.00 N ATOM 733 CA SER A 51 -1.623 -1.954 11.342 1.00 0.00 C ATOM 734 C SER A 51 -1.921 -0.788 12.280 1.00 0.00 C ATOM 735 O SER A 51 -2.516 -0.969 13.343 1.00 0.00 O ATOM 736 CB SER A 51 -1.208 -3.183 12.153 1.00 0.00 C ATOM 737 OG SER A 51 -2.341 -3.860 12.669 1.00 0.00 O ATOM 0 H SER A 51 0.372 -1.701 10.748 1.00 0.00 H new ATOM 0 HA SER A 51 -2.528 -2.186 10.781 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.631 -3.860 11.523 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.558 -2.879 12.973 1.00 0.00 H new ATOM 0 HG SER A 51 -2.922 -3.220 13.131 1.00 0.00 H new ATOM 743 N ASP A 52 -1.502 0.407 11.879 1.00 0.00 N ATOM 744 CA ASP A 52 -1.724 1.604 12.683 1.00 0.00 C ATOM 745 C ASP A 52 -1.548 2.864 11.841 1.00 0.00 C ATOM 746 O ASP A 52 -0.482 3.098 11.271 1.00 0.00 O ATOM 747 CB ASP A 52 -0.763 1.631 13.872 1.00 0.00 C ATOM 748 CG ASP A 52 -0.876 0.391 14.737 1.00 0.00 C ATOM 749 OD1 ASP A 52 -0.326 -0.658 14.343 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.515 0.470 15.807 1.00 0.00 O ATOM 0 H ASP A 52 -1.007 0.573 11.003 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.748 1.578 13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.260 1.723 13.507 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.966 2.513 14.479 1.00 0.00 H new ATOM 755 N VAL A 53 -2.601 3.672 11.767 1.00 0.00 N ATOM 756 CA VAL A 53 -2.563 4.908 10.995 1.00 0.00 C ATOM 757 C VAL A 53 -3.106 6.080 11.805 1.00 0.00 C ATOM 758 O VAL A 53 -4.313 6.324 11.831 1.00 0.00 O ATOM 759 CB VAL A 53 -3.373 4.781 9.691 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.511 6.136 9.014 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.722 3.772 8.756 1.00 0.00 C ATOM 0 H VAL A 53 -3.491 3.493 12.232 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.518 5.094 10.748 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.372 4.422 9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.086 6.026 8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.025 6.826 9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.521 6.528 8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.307 3.695 7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.711 4.100 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.681 2.798 9.244 1.00 0.00 H new ATOM 771 N LEU A 54 -2.208 6.801 12.466 1.00 0.00 N ATOM 772 CA LEU A 54 -2.596 7.949 13.279 1.00 0.00 C ATOM 773 C LEU A 54 -3.800 8.663 12.672 1.00 0.00 C ATOM 774 O LEU A 54 -3.724 9.256 11.597 1.00 0.00 O ATOM 775 CB LEU A 54 -1.425 8.924 13.412 1.00 0.00 C ATOM 776 CG LEU A 54 -1.361 9.722 14.715 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.213 8.788 15.906 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.214 10.721 14.673 1.00 0.00 C ATOM 0 H LEU A 54 -1.206 6.611 12.455 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.872 7.586 14.269 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.497 8.362 13.307 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.467 9.627 12.580 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.294 10.275 14.826 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.169 9.374 16.824 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.067 8.112 15.947 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.296 8.208 15.802 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.184 11.280 15.608 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.727 10.189 14.538 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.363 11.411 13.843 1.00 0.00 H new ATOM 790 N PRO A 55 -4.939 8.606 13.379 1.00 0.00 N ATOM 791 CA PRO A 55 -6.181 9.244 12.931 1.00 0.00 C ATOM 792 C PRO A 55 -6.105 10.766 12.990 1.00 0.00 C ATOM 793 O PRO A 55 -7.013 11.461 12.537 1.00 0.00 O ATOM 794 CB PRO A 55 -7.225 8.722 13.921 1.00 0.00 C ATOM 795 CG PRO A 55 -6.449 8.385 15.147 1.00 0.00 C ATOM 796 CD PRO A 55 -5.102 7.916 14.669 1.00 0.00 C ATOM 0 HA PRO A 55 -6.406 9.011 11.890 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.985 9.475 14.128 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.742 7.847 13.527 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.351 9.254 15.798 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.950 7.608 15.725 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.311 8.183 15.370 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.072 6.833 14.552 1.00 0.00 H new ATOM 804 N GLY A 56 -5.013 11.278 13.551 1.00 0.00 N ATOM 805 CA GLY A 56 -4.839 12.715 13.658 1.00 0.00 C ATOM 806 C GLY A 56 -3.451 13.163 13.246 1.00 0.00 C ATOM 807 O GLY A 56 -3.073 14.314 13.462 1.00 0.00 O ATOM 0 H GLY A 56 -4.247 10.724 13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.579 13.215 13.033 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.027 13.025 14.686 1.00 0.00 H new ATOM 811 N GLY A 57 -2.688 12.250 12.652 1.00 0.00 N ATOM 812 CA GLY A 57 -1.341 12.576 12.220 1.00 0.00 C ATOM 813 C GLY A 57 -1.245 12.771 10.720 1.00 0.00 C ATOM 814 O GLY A 57 -2.250 12.933 10.028 1.00 0.00 O ATOM 0 H GLY A 57 -2.979 11.291 12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.011 13.485 12.723 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.662 11.779 12.524 1.00 0.00 H new ATOM 818 N PRO A 58 -0.010 12.759 10.196 1.00 0.00 N ATOM 819 CA PRO A 58 0.243 12.936 8.763 1.00 0.00 C ATOM 820 C PRO A 58 -0.224 11.741 7.940 1.00 0.00 C ATOM 821 O PRO A 58 -0.542 11.875 6.759 1.00 0.00 O ATOM 822 CB PRO A 58 1.766 13.075 8.687 1.00 0.00 C ATOM 823 CG PRO A 58 2.272 12.365 9.895 1.00 0.00 C ATOM 824 CD PRO A 58 1.233 12.571 10.962 1.00 0.00 C ATOM 0 HA PRO A 58 -0.298 13.790 8.356 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.159 12.630 7.773 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.068 14.122 8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.418 11.304 9.692 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.237 12.765 10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.167 11.712 11.630 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.459 13.440 11.581 1.00 0.00 H new ATOM 832 N ALA A 59 -0.263 10.572 8.572 1.00 0.00 N ATOM 833 CA ALA A 59 -0.695 9.353 7.898 1.00 0.00 C ATOM 834 C ALA A 59 -2.198 9.370 7.642 1.00 0.00 C ATOM 835 O ALA A 59 -2.672 8.842 6.636 1.00 0.00 O ATOM 836 CB ALA A 59 -0.310 8.132 8.720 1.00 0.00 C ATOM 0 H ALA A 59 -0.001 10.443 9.549 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.190 9.302 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.638 7.229 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.772 8.105 8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.788 8.186 9.698 1.00 0.00 H new ATOM 842 N ASP A 60 -2.942 9.978 8.559 1.00 0.00 N ATOM 843 CA ASP A 60 -4.393 10.064 8.432 1.00 0.00 C ATOM 844 C ASP A 60 -4.787 10.634 7.074 1.00 0.00 C ATOM 845 O ASP A 60 -4.945 11.845 6.920 1.00 0.00 O ATOM 846 CB ASP A 60 -4.973 10.930 9.551 1.00 0.00 C ATOM 847 CG ASP A 60 -6.224 11.670 9.120 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.245 11.004 8.851 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.182 12.917 9.051 1.00 0.00 O ATOM 0 H ASP A 60 -2.565 10.419 9.398 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.801 9.057 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.204 10.301 10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.222 11.650 9.876 1.00 0.00 H new ATOM 854 N GLY A 61 -4.943 9.753 6.090 1.00 0.00 N ATOM 855 CA GLY A 61 -5.316 10.189 4.757 1.00 0.00 C ATOM 856 C GLY A 61 -4.347 9.704 3.696 1.00 0.00 C ATOM 857 O GLY A 61 -4.759 9.161 2.670 1.00 0.00 O ATOM 0 H GLY A 61 -4.818 8.746 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.316 9.824 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.361 11.278 4.733 1.00 0.00 H new ATOM 861 N LEU A 62 -3.056 9.901 3.942 1.00 0.00 N ATOM 862 CA LEU A 62 -2.025 9.481 2.999 1.00 0.00 C ATOM 863 C LEU A 62 -1.971 7.961 2.893 1.00 0.00 C ATOM 864 O LEU A 62 -1.953 7.405 1.794 1.00 0.00 O ATOM 865 CB LEU A 62 -0.661 10.023 3.430 1.00 0.00 C ATOM 866 CG LEU A 62 -0.491 11.541 3.366 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.831 11.957 3.992 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.578 12.027 1.927 1.00 0.00 C ATOM 0 H LEU A 62 -2.699 10.349 4.786 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.277 9.886 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.471 9.699 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.104 9.565 2.803 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.299 12.002 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.934 13.041 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.854 11.642 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.653 11.486 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.455 13.110 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.209 11.558 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.550 11.762 1.512 1.00 0.00 H new ATOM 880 N LEU A 63 -1.948 7.293 4.041 1.00 0.00 N ATOM 881 CA LEU A 63 -1.898 5.836 4.078 1.00 0.00 C ATOM 882 C LEU A 63 -3.108 5.268 4.813 1.00 0.00 C ATOM 883 O LEU A 63 -3.866 6.006 5.441 1.00 0.00 O ATOM 884 CB LEU A 63 -0.609 5.367 4.756 1.00 0.00 C ATOM 885 CG LEU A 63 0.671 5.503 3.931 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.893 5.221 4.791 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.634 4.567 2.731 1.00 0.00 C ATOM 0 H LEU A 63 -1.963 7.738 4.959 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.915 5.471 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.483 5.930 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.729 4.320 5.034 1.00 0.00 H new ATOM 0 HG LEU A 63 0.738 6.528 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.794 5.323 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.928 5.931 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.834 4.207 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.553 4.677 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.543 3.537 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.221 4.816 2.102 1.00 0.00 H new ATOM 899 N GLN A 64 -3.281 3.953 4.730 1.00 0.00 N ATOM 900 CA GLN A 64 -4.398 3.287 5.389 1.00 0.00 C ATOM 901 C GLN A 64 -3.937 2.010 6.084 1.00 0.00 C ATOM 902 O GLN A 64 -2.769 1.633 6.000 1.00 0.00 O ATOM 903 CB GLN A 64 -5.496 2.962 4.374 1.00 0.00 C ATOM 904 CG GLN A 64 -5.246 1.679 3.599 1.00 0.00 C ATOM 905 CD GLN A 64 -6.454 1.239 2.794 1.00 0.00 C ATOM 906 OE1 GLN A 64 -7.016 2.016 2.022 1.00 0.00 O ATOM 907 NE2 GLN A 64 -6.860 -0.013 2.972 1.00 0.00 N ATOM 0 H GLN A 64 -2.662 3.328 4.213 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.799 3.965 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.450 2.882 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.586 3.790 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.400 1.824 2.928 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.969 0.887 4.295 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.364 -0.622 3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.668 -0.365 2.458 1.00 0.00 H new ATOM 916 N GLU A 65 -4.864 1.348 6.770 1.00 0.00 N ATOM 917 CA GLU A 65 -4.551 0.113 7.481 1.00 0.00 C ATOM 918 C GLU A 65 -4.559 -1.079 6.529 1.00 0.00 C ATOM 919 O GLU A 65 -5.407 -1.173 5.642 1.00 0.00 O ATOM 920 CB GLU A 65 -5.553 -0.117 8.614 1.00 0.00 C ATOM 921 CG GLU A 65 -4.949 -0.796 9.832 1.00 0.00 C ATOM 922 CD GLU A 65 -5.955 -1.643 10.586 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.726 -1.077 11.388 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.972 -2.874 10.373 1.00 0.00 O ATOM 0 H GLU A 65 -5.836 1.646 6.849 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.551 0.210 7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.975 0.842 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.377 -0.725 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.115 -1.423 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.543 -0.038 10.502 1.00 0.00 H new ATOM 931 N ASN A 66 -3.609 -1.988 6.720 1.00 0.00 N ATOM 932 CA ASN A 66 -3.506 -3.175 5.878 1.00 0.00 C ATOM 933 C ASN A 66 -3.021 -2.808 4.478 1.00 0.00 C ATOM 934 O ASN A 66 -3.451 -3.398 3.487 1.00 0.00 O ATOM 935 CB ASN A 66 -4.859 -3.884 5.791 1.00 0.00 C ATOM 936 CG ASN A 66 -5.584 -3.909 7.123 1.00 0.00 C ATOM 937 OD1 ASN A 66 -5.089 -4.468 8.102 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.764 -3.302 7.165 1.00 0.00 N ATOM 0 H ASN A 66 -2.899 -1.926 7.450 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.779 -3.849 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.482 -3.383 5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.709 -4.906 5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.299 -3.286 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.136 -2.851 6.329 1.00 0.00 H new ATOM 945 N ASP A 67 -2.122 -1.832 4.406 1.00 0.00 N ATOM 946 CA ASP A 67 -1.577 -1.388 3.129 1.00 0.00 C ATOM 947 C ASP A 67 -0.306 -2.158 2.783 1.00 0.00 C ATOM 948 O ASP A 67 0.804 -1.685 3.025 1.00 0.00 O ATOM 949 CB ASP A 67 -1.283 0.112 3.170 1.00 0.00 C ATOM 950 CG ASP A 67 -0.143 0.454 4.110 1.00 0.00 C ATOM 951 OD1 ASP A 67 0.189 -0.389 4.969 1.00 0.00 O ATOM 952 OD2 ASP A 67 0.415 1.564 3.987 1.00 0.00 O ATOM 0 H ASP A 67 -1.756 -1.334 5.217 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.321 -1.584 2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.038 0.459 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.180 0.647 3.482 1.00 0.00 H new ATOM 957 N ARG A 68 -0.478 -3.348 2.216 1.00 0.00 N ATOM 958 CA ARG A 68 0.655 -4.185 1.839 1.00 0.00 C ATOM 959 C ARG A 68 1.757 -3.350 1.195 1.00 0.00 C ATOM 960 O ARG A 68 1.719 -3.070 -0.003 1.00 0.00 O ATOM 961 CB ARG A 68 0.205 -5.285 0.876 1.00 0.00 C ATOM 962 CG ARG A 68 -0.175 -6.584 1.568 1.00 0.00 C ATOM 963 CD ARG A 68 -1.433 -6.420 2.407 1.00 0.00 C ATOM 964 NE ARG A 68 -2.645 -6.658 1.628 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.866 -6.359 2.058 1.00 0.00 C ATOM 966 NH1 ARG A 68 -4.036 -5.813 3.254 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.920 -6.605 1.290 1.00 0.00 N ATOM 0 H ARG A 68 -1.390 -3.754 2.008 1.00 0.00 H new ATOM 0 HA ARG A 68 1.053 -4.644 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.649 -4.926 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.007 -5.483 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.333 -7.363 0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.647 -6.913 2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.401 -7.113 3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.462 -5.413 2.824 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.549 -7.077 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.228 -5.621 3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.975 -5.584 3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.793 -7.024 0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.857 -6.375 1.621 1.00 0.00 H new ATOM 981 N VAL A 69 2.739 -2.954 2.000 1.00 0.00 N ATOM 982 CA VAL A 69 3.853 -2.151 1.509 1.00 0.00 C ATOM 983 C VAL A 69 4.689 -2.930 0.500 1.00 0.00 C ATOM 984 O VAL A 69 4.788 -4.155 0.573 1.00 0.00 O ATOM 985 CB VAL A 69 4.761 -1.687 2.663 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.916 -0.852 2.131 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.958 -0.907 3.692 1.00 0.00 C ATOM 0 H VAL A 69 2.785 -3.176 2.994 1.00 0.00 H new ATOM 0 HA VAL A 69 3.423 -1.276 1.021 1.00 0.00 H new ATOM 0 HB VAL A 69 5.176 -2.568 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.547 -0.533 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.506 -1.448 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.524 0.025 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.616 -0.587 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.512 -0.032 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.170 -1.542 4.096 1.00 0.00 H new ATOM 997 N VAL A 70 5.290 -2.212 -0.443 1.00 0.00 N ATOM 998 CA VAL A 70 6.120 -2.835 -1.467 1.00 0.00 C ATOM 999 C VAL A 70 7.511 -2.212 -1.501 1.00 0.00 C ATOM 1000 O VAL A 70 8.516 -2.918 -1.585 1.00 0.00 O ATOM 1001 CB VAL A 70 5.479 -2.709 -2.862 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.186 -3.615 -3.859 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.994 -3.031 -2.797 1.00 0.00 C ATOM 0 H VAL A 70 5.218 -1.197 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 70 6.204 -3.890 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 70 5.590 -1.679 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.719 -3.512 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.237 -3.332 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.110 -4.651 -3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.557 -2.937 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.858 -4.050 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.501 -2.337 -2.117 1.00 0.00 H new ATOM 1013 N MET A 71 7.562 -0.886 -1.435 1.00 0.00 N ATOM 1014 CA MET A 71 8.831 -0.168 -1.456 1.00 0.00 C ATOM 1015 C MET A 71 8.784 1.046 -0.534 1.00 0.00 C ATOM 1016 O MET A 71 7.728 1.649 -0.338 1.00 0.00 O ATOM 1017 CB MET A 71 9.169 0.272 -2.882 1.00 0.00 C ATOM 1018 CG MET A 71 10.170 1.414 -2.944 1.00 0.00 C ATOM 1019 SD MET A 71 11.006 1.518 -4.538 1.00 0.00 S ATOM 1020 CE MET A 71 11.990 0.021 -4.503 1.00 0.00 C ATOM 0 H MET A 71 6.739 -0.287 -1.367 1.00 0.00 H new ATOM 0 HA MET A 71 9.608 -0.843 -1.098 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.568 -0.580 -3.432 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.252 0.576 -3.387 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.655 2.354 -2.746 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.912 1.285 -2.156 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.857 0.140 -5.152 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.324 -0.171 -3.483 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.388 -0.818 -4.852 1.00 0.00 H new ATOM 1030 N VAL A 72 9.935 1.401 0.029 1.00 0.00 N ATOM 1031 CA VAL A 72 10.024 2.544 0.929 1.00 0.00 C ATOM 1032 C VAL A 72 11.328 3.307 0.721 1.00 0.00 C ATOM 1033 O VAL A 72 12.399 2.845 1.113 1.00 0.00 O ATOM 1034 CB VAL A 72 9.928 2.107 2.403 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.103 3.303 3.327 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.602 1.409 2.666 1.00 0.00 C ATOM 0 H VAL A 72 10.818 0.913 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 72 9.183 3.197 0.696 1.00 0.00 H new ATOM 0 HB VAL A 72 10.732 1.400 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.032 2.975 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.080 3.755 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.323 4.037 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.551 1.107 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.781 2.092 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.522 0.528 2.030 1.00 0.00 H new ATOM 1046 N ASN A 73 11.229 4.478 0.101 1.00 0.00 N ATOM 1047 CA ASN A 73 12.402 5.306 -0.160 1.00 0.00 C ATOM 1048 C ASN A 73 13.400 4.570 -1.048 1.00 0.00 C ATOM 1049 O ASN A 73 14.601 4.834 -1.000 1.00 0.00 O ATOM 1050 CB ASN A 73 13.071 5.708 1.156 1.00 0.00 C ATOM 1051 CG ASN A 73 12.470 6.967 1.750 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.996 7.843 1.026 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.487 7.063 3.074 1.00 0.00 N ATOM 0 H ASN A 73 10.350 4.875 -0.230 1.00 0.00 H new ATOM 0 HA ASN A 73 12.073 6.205 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.978 4.891 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.137 5.863 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.097 7.887 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.890 6.312 3.635 1.00 0.00 H new ATOM 1060 N GLY A 74 12.894 3.646 -1.859 1.00 0.00 N ATOM 1061 CA GLY A 74 13.755 2.886 -2.747 1.00 0.00 C ATOM 1062 C GLY A 74 14.257 1.605 -2.112 1.00 0.00 C ATOM 1063 O GLY A 74 15.355 1.139 -2.418 1.00 0.00 O ATOM 0 H GLY A 74 11.903 3.410 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.209 2.646 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.606 3.502 -3.037 1.00 0.00 H new ATOM 1067 N THR A 75 13.452 1.032 -1.222 1.00 0.00 N ATOM 1068 CA THR A 75 13.821 -0.202 -0.540 1.00 0.00 C ATOM 1069 C THR A 75 12.660 -1.189 -0.523 1.00 0.00 C ATOM 1070 O THR A 75 11.552 -0.875 -0.088 1.00 0.00 O ATOM 1071 CB THR A 75 14.270 0.070 0.909 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.302 1.062 0.924 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.775 -1.205 1.567 1.00 0.00 C ATOM 0 H THR A 75 12.540 1.403 -0.957 1.00 0.00 H new ATOM 0 HA THR A 75 14.653 -0.634 -1.096 1.00 0.00 H new ATOM 0 HB THR A 75 13.410 0.434 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.034 1.804 1.505 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.086 -0.988 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.978 -1.948 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.624 -1.594 1.004 1.00 0.00 H new ATOM 1081 N PRO A 76 12.917 -2.414 -1.008 1.00 0.00 N ATOM 1082 CA PRO A 76 11.905 -3.473 -1.058 1.00 0.00 C ATOM 1083 C PRO A 76 11.540 -3.992 0.329 1.00 0.00 C ATOM 1084 O PRO A 76 12.399 -4.466 1.071 1.00 0.00 O ATOM 1085 CB PRO A 76 12.584 -4.573 -1.878 1.00 0.00 C ATOM 1086 CG PRO A 76 14.043 -4.345 -1.684 1.00 0.00 C ATOM 1087 CD PRO A 76 14.215 -2.858 -1.543 1.00 0.00 C ATOM 0 HA PRO A 76 10.967 -3.120 -1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.289 -5.564 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.310 -4.508 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.405 -4.865 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.613 -4.725 -2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.034 -2.610 -0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.438 -2.387 -2.500 1.00 0.00 H new ATOM 1095 N MET A 77 10.259 -3.899 0.671 1.00 0.00 N ATOM 1096 CA MET A 77 9.780 -4.361 1.969 1.00 0.00 C ATOM 1097 C MET A 77 9.140 -5.740 1.853 1.00 0.00 C ATOM 1098 O MET A 77 8.383 -6.158 2.728 1.00 0.00 O ATOM 1099 CB MET A 77 8.773 -3.365 2.549 1.00 0.00 C ATOM 1100 CG MET A 77 9.210 -1.915 2.423 1.00 0.00 C ATOM 1101 SD MET A 77 10.240 -1.378 3.802 1.00 0.00 S ATOM 1102 CE MET A 77 11.866 -1.437 3.054 1.00 0.00 C ATOM 0 H MET A 77 9.535 -3.508 0.068 1.00 0.00 H new ATOM 0 HA MET A 77 10.636 -4.433 2.640 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.816 -3.493 2.043 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.611 -3.597 3.602 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.760 -1.785 1.491 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.328 -1.278 2.364 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.627 -1.412 3.834 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.968 -2.356 2.477 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.995 -0.579 2.395 1.00 0.00 H new ATOM 1112 N GLU A 78 9.449 -6.442 0.766 1.00 0.00 N ATOM 1113 CA GLU A 78 8.902 -7.774 0.537 1.00 0.00 C ATOM 1114 C GLU A 78 9.852 -8.849 1.055 1.00 0.00 C ATOM 1115 O GLU A 78 11.027 -8.884 0.688 1.00 0.00 O ATOM 1116 CB GLU A 78 8.635 -7.990 -0.954 1.00 0.00 C ATOM 1117 CG GLU A 78 9.848 -7.734 -1.833 1.00 0.00 C ATOM 1118 CD GLU A 78 9.662 -8.246 -3.248 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.460 -9.467 -3.416 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.718 -7.425 -4.187 1.00 0.00 O ATOM 0 H GLU A 78 10.074 -6.110 0.032 1.00 0.00 H new ATOM 0 HA GLU A 78 7.962 -7.851 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.294 -9.014 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.824 -7.333 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.052 -6.664 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.721 -8.213 -1.389 1.00 0.00 H new ATOM 1127 N ASP A 79 9.336 -9.724 1.911 1.00 0.00 N ATOM 1128 CA ASP A 79 10.137 -10.801 2.481 1.00 0.00 C ATOM 1129 C ASP A 79 11.300 -10.242 3.294 1.00 0.00 C ATOM 1130 O ASP A 79 12.428 -10.724 3.196 1.00 0.00 O ATOM 1131 CB ASP A 79 10.665 -11.714 1.372 1.00 0.00 C ATOM 1132 CG ASP A 79 10.842 -13.146 1.837 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.232 -13.346 3.007 1.00 0.00 O ATOM 1134 OD2 ASP A 79 10.591 -14.066 1.032 1.00 0.00 O ATOM 0 H ASP A 79 8.366 -9.709 2.226 1.00 0.00 H new ATOM 0 HA ASP A 79 9.499 -11.382 3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.976 -11.692 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.620 -11.331 1.014 1.00 0.00 H new ATOM 1139 N VAL A 80 11.018 -9.220 4.095 1.00 0.00 N ATOM 1140 CA VAL A 80 12.040 -8.594 4.925 1.00 0.00 C ATOM 1141 C VAL A 80 11.667 -8.662 6.402 1.00 0.00 C ATOM 1142 O VAL A 80 10.524 -8.961 6.752 1.00 0.00 O ATOM 1143 CB VAL A 80 12.260 -7.122 4.530 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.603 -7.011 3.052 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.031 -6.291 4.865 1.00 0.00 C ATOM 0 H VAL A 80 10.090 -8.808 4.187 1.00 0.00 H new ATOM 0 HA VAL A 80 12.964 -9.149 4.761 1.00 0.00 H new ATOM 0 HB VAL A 80 13.101 -6.732 5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.755 -5.964 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.515 -7.572 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.785 -7.418 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.204 -5.254 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.170 -6.679 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.837 -6.345 5.936 1.00 0.00 H new ATOM 1155 N LEU A 81 12.637 -8.383 7.265 1.00 0.00 N ATOM 1156 CA LEU A 81 12.411 -8.411 8.706 1.00 0.00 C ATOM 1157 C LEU A 81 11.702 -7.144 9.171 1.00 0.00 C ATOM 1158 O LEU A 81 11.918 -6.062 8.623 1.00 0.00 O ATOM 1159 CB LEU A 81 13.740 -8.568 9.448 1.00 0.00 C ATOM 1160 CG LEU A 81 14.411 -9.938 9.340 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.795 -9.905 9.972 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.549 -11.007 9.996 1.00 0.00 C ATOM 0 H LEU A 81 13.588 -8.135 6.992 1.00 0.00 H new ATOM 0 HA LEU A 81 11.773 -9.265 8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.434 -7.815 9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.572 -8.350 10.503 1.00 0.00 H new ATOM 0 HG LEU A 81 14.521 -10.186 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.258 -10.888 9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.412 -9.167 9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.708 -9.636 11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.042 -11.975 9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.407 -10.764 11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.579 -11.048 9.500 1.00 0.00 H new ATOM 1174 N HIS A 82 10.857 -7.284 10.187 1.00 0.00 N ATOM 1175 CA HIS A 82 10.118 -6.149 10.729 1.00 0.00 C ATOM 1176 C HIS A 82 11.046 -4.963 10.974 1.00 0.00 C ATOM 1177 O HIS A 82 10.726 -3.828 10.620 1.00 0.00 O ATOM 1178 CB HIS A 82 9.420 -6.542 12.031 1.00 0.00 C ATOM 1179 CG HIS A 82 8.790 -5.386 12.746 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.346 -4.336 13.394 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.425 -5.221 12.852 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.318 -3.563 13.874 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.169 -4.118 13.533 1.00 0.00 N flip ATOM 0 H HIS A 82 10.667 -8.172 10.652 1.00 0.00 H new ATOM 0 HA HIS A 82 9.366 -5.854 9.997 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.653 -7.285 11.812 1.00 0.00 H new ATOM 0 HB3 HIS A 82 10.144 -7.017 12.693 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.682 -5.889 12.442 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.431 -2.649 14.439 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.242 -3.757 13.757 1.00 0.00 H new ATOM 1192 N SER A 83 12.197 -5.234 11.582 1.00 0.00 N ATOM 1193 CA SER A 83 13.169 -4.188 11.878 1.00 0.00 C ATOM 1194 C SER A 83 13.663 -3.526 10.595 1.00 0.00 C ATOM 1195 O SER A 83 13.917 -2.322 10.562 1.00 0.00 O ATOM 1196 CB SER A 83 14.353 -4.769 12.654 1.00 0.00 C ATOM 1197 OG SER A 83 15.324 -3.773 12.923 1.00 0.00 O ATOM 0 H SER A 83 12.479 -6.168 11.879 1.00 0.00 H new ATOM 0 HA SER A 83 12.678 -3.432 12.490 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.001 -5.201 13.591 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.806 -5.578 12.081 1.00 0.00 H new ATOM 0 HG SER A 83 16.069 -4.169 13.421 1.00 0.00 H new ATOM 1203 N PHE A 84 13.797 -4.323 9.539 1.00 0.00 N ATOM 1204 CA PHE A 84 14.261 -3.816 8.253 1.00 0.00 C ATOM 1205 C PHE A 84 13.271 -2.808 7.677 1.00 0.00 C ATOM 1206 O PHE A 84 13.663 -1.760 7.164 1.00 0.00 O ATOM 1207 CB PHE A 84 14.463 -4.970 7.269 1.00 0.00 C ATOM 1208 CG PHE A 84 14.992 -4.532 5.933 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.340 -4.261 5.762 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.141 -4.392 4.848 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.830 -3.859 4.534 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.626 -3.991 3.618 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.971 -3.723 3.460 1.00 0.00 C ATOM 0 H PHE A 84 13.591 -5.322 9.549 1.00 0.00 H new ATOM 0 HA PHE A 84 15.214 -3.312 8.411 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.153 -5.692 7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.513 -5.484 7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.016 -4.365 6.598 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.087 -4.599 4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.883 -3.651 4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.953 -3.887 2.780 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.351 -3.408 2.499 1.00 0.00 H new ATOM 1223 N ALA A 85 11.985 -3.133 7.765 1.00 0.00 N ATOM 1224 CA ALA A 85 10.939 -2.257 7.254 1.00 0.00 C ATOM 1225 C ALA A 85 10.951 -0.911 7.971 1.00 0.00 C ATOM 1226 O ALA A 85 10.929 0.143 7.336 1.00 0.00 O ATOM 1227 CB ALA A 85 9.578 -2.921 7.396 1.00 0.00 C ATOM 0 H ALA A 85 11.643 -3.997 8.186 1.00 0.00 H new ATOM 0 HA ALA A 85 11.134 -2.077 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.806 -2.255 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.568 -3.854 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.384 -3.131 8.448 1.00 0.00 H new ATOM 1233 N VAL A 86 10.984 -0.954 9.299 1.00 0.00 N ATOM 1234 CA VAL A 86 10.999 0.262 10.104 1.00 0.00 C ATOM 1235 C VAL A 86 12.284 1.053 9.881 1.00 0.00 C ATOM 1236 O VAL A 86 12.256 2.277 9.758 1.00 0.00 O ATOM 1237 CB VAL A 86 10.859 -0.056 11.604 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.866 -1.117 12.022 1.00 0.00 C ATOM 1239 CG2 VAL A 86 11.030 1.208 12.434 1.00 0.00 C ATOM 0 H VAL A 86 11.001 -1.818 9.841 1.00 0.00 H new ATOM 0 HA VAL A 86 10.146 0.862 9.786 1.00 0.00 H new ATOM 0 HB VAL A 86 9.858 -0.449 11.782 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.752 -1.328 13.085 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.693 -2.029 11.450 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.876 -0.755 11.831 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.928 0.965 13.492 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.018 1.632 12.252 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.267 1.934 12.153 1.00 0.00 H new ATOM 1249 N GLN A 87 13.407 0.344 9.829 1.00 0.00 N ATOM 1250 CA GLN A 87 14.702 0.980 9.620 1.00 0.00 C ATOM 1251 C GLN A 87 14.583 2.154 8.653 1.00 0.00 C ATOM 1252 O GLN A 87 14.900 3.291 9.001 1.00 0.00 O ATOM 1253 CB GLN A 87 15.713 -0.036 9.086 1.00 0.00 C ATOM 1254 CG GLN A 87 17.150 0.275 9.473 1.00 0.00 C ATOM 1255 CD GLN A 87 17.572 -0.418 10.753 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.740 -0.955 11.486 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.871 -0.411 11.030 1.00 0.00 N ATOM 0 H GLN A 87 13.446 -0.670 9.929 1.00 0.00 H new ATOM 0 HA GLN A 87 15.051 1.359 10.581 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.451 -1.027 9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.638 -0.074 7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.814 -0.029 8.664 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.265 1.352 9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.525 0.046 10.395 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.214 -0.862 11.878 1.00 0.00 H new ATOM 1266 N GLN A 88 14.125 1.869 7.439 1.00 0.00 N ATOM 1267 CA GLN A 88 13.965 2.901 6.421 1.00 0.00 C ATOM 1268 C GLN A 88 13.228 4.111 6.985 1.00 0.00 C ATOM 1269 O GLN A 88 13.549 5.255 6.660 1.00 0.00 O ATOM 1270 CB GLN A 88 13.208 2.345 5.214 1.00 0.00 C ATOM 1271 CG GLN A 88 13.853 1.108 4.609 1.00 0.00 C ATOM 1272 CD GLN A 88 15.095 1.432 3.803 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.131 2.419 3.067 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.122 0.602 3.937 1.00 0.00 N ATOM 0 H GLN A 88 13.858 0.932 7.136 1.00 0.00 H new ATOM 0 HA GLN A 88 14.958 3.218 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.189 2.103 5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.140 3.120 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.113 0.412 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.130 0.603 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.049 -0.204 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.984 0.770 3.419 1.00 0.00 H new ATOM 1283 N LEU A 89 12.237 3.853 7.831 1.00 0.00 N ATOM 1284 CA LEU A 89 11.452 4.921 8.441 1.00 0.00 C ATOM 1285 C LEU A 89 12.327 5.801 9.327 1.00 0.00 C ATOM 1286 O LEU A 89 12.357 7.022 9.170 1.00 0.00 O ATOM 1287 CB LEU A 89 10.304 4.332 9.262 1.00 0.00 C ATOM 1288 CG LEU A 89 9.476 3.246 8.576 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.382 2.742 9.504 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.877 3.771 7.279 1.00 0.00 C ATOM 0 H LEU A 89 11.958 2.913 8.111 1.00 0.00 H new ATOM 0 HA LEU A 89 11.040 5.537 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.717 3.919 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.635 5.144 9.549 1.00 0.00 H new ATOM 0 HG LEU A 89 10.135 2.411 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.803 1.969 8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.832 2.326 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.725 3.569 9.775 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.291 2.984 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.233 4.624 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.678 4.082 6.608 1.00 0.00 H new ATOM 1302 N ARG A 90 13.040 5.174 10.257 1.00 0.00 N ATOM 1303 CA ARG A 90 13.917 5.900 11.167 1.00 0.00 C ATOM 1304 C ARG A 90 15.061 6.565 10.406 1.00 0.00 C ATOM 1305 O ARG A 90 15.580 7.600 10.824 1.00 0.00 O ATOM 1306 CB ARG A 90 14.479 4.955 12.230 1.00 0.00 C ATOM 1307 CG ARG A 90 15.103 3.694 11.655 1.00 0.00 C ATOM 1308 CD ARG A 90 15.683 2.810 12.749 1.00 0.00 C ATOM 1309 NE ARG A 90 16.800 3.453 13.437 1.00 0.00 N ATOM 1310 CZ ARG A 90 17.744 2.785 14.090 1.00 0.00 C ATOM 1311 NH1 ARG A 90 17.707 1.460 14.142 1.00 0.00 N ATOM 1312 NH2 ARG A 90 18.728 3.441 14.691 1.00 0.00 N ATOM 0 H ARG A 90 13.027 4.164 10.400 1.00 0.00 H new ATOM 0 HA ARG A 90 13.329 6.677 11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.229 5.486 12.817 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.678 4.675 12.915 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.351 3.137 11.096 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.889 3.965 10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.903 2.568 13.471 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.018 1.868 12.315 1.00 0.00 H new ATOM 0 HE ARG A 90 16.858 4.471 13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.953 0.952 13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.433 0.949 14.644 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.760 4.460 14.652 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.452 2.927 15.192 1.00 0.00 H new ATOM 1326 N LYS A 91 15.449 5.962 9.287 1.00 0.00 N ATOM 1327 CA LYS A 91 16.530 6.495 8.466 1.00 0.00 C ATOM 1328 C LYS A 91 16.090 7.763 7.743 1.00 0.00 C ATOM 1329 O LYS A 91 16.883 8.682 7.543 1.00 0.00 O ATOM 1330 CB LYS A 91 16.988 5.448 7.449 1.00 0.00 C ATOM 1331 CG LYS A 91 17.734 4.280 8.072 1.00 0.00 C ATOM 1332 CD LYS A 91 17.918 3.143 7.080 1.00 0.00 C ATOM 1333 CE LYS A 91 19.136 3.367 6.196 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.789 4.103 4.949 1.00 0.00 N ATOM 0 H LYS A 91 15.031 5.104 8.928 1.00 0.00 H new ATOM 0 HA LYS A 91 17.363 6.744 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.118 5.068 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.632 5.927 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.708 4.617 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.186 3.920 8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.026 2.202 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.027 3.053 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.889 3.927 6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.580 2.405 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.433 3.815 4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.810 3.883 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.881 5.126 5.113 1.00 0.00 H new ATOM 1348 N SER A 92 14.819 7.807 7.354 1.00 0.00 N ATOM 1349 CA SER A 92 14.274 8.962 6.650 1.00 0.00 C ATOM 1350 C SER A 92 14.445 10.232 7.478 1.00 0.00 C ATOM 1351 O SER A 92 14.150 10.252 8.672 1.00 0.00 O ATOM 1352 CB SER A 92 12.794 8.741 6.333 1.00 0.00 C ATOM 1353 OG SER A 92 12.309 9.733 5.444 1.00 0.00 O ATOM 0 H SER A 92 14.148 7.056 7.515 1.00 0.00 H new ATOM 0 HA SER A 92 14.824 9.081 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.657 7.754 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.214 8.760 7.256 1.00 0.00 H new ATOM 0 HG SER A 92 11.576 10.224 5.870 1.00 0.00 H new ATOM 1359 N GLY A 93 14.923 11.292 6.833 1.00 0.00 N ATOM 1360 CA GLY A 93 15.125 12.552 7.524 1.00 0.00 C ATOM 1361 C GLY A 93 13.826 13.156 8.021 1.00 0.00 C ATOM 1362 O GLY A 93 13.574 13.202 9.225 1.00 0.00 O ATOM 0 H GLY A 93 15.174 11.300 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.796 12.396 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.616 13.256 6.853 1.00 0.00 H new ATOM 1366 N LYS A 94 12.998 13.621 7.091 1.00 0.00 N ATOM 1367 CA LYS A 94 11.718 14.226 7.440 1.00 0.00 C ATOM 1368 C LYS A 94 10.599 13.674 6.562 1.00 0.00 C ATOM 1369 O LYS A 94 9.510 13.369 7.048 1.00 0.00 O ATOM 1370 CB LYS A 94 11.793 15.747 7.293 1.00 0.00 C ATOM 1371 CG LYS A 94 10.463 16.446 7.519 1.00 0.00 C ATOM 1372 CD LYS A 94 10.657 17.863 8.032 1.00 0.00 C ATOM 1373 CE LYS A 94 9.352 18.456 8.540 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.463 19.923 8.772 1.00 0.00 N ATOM 0 H LYS A 94 13.191 13.590 6.090 1.00 0.00 H new ATOM 0 HA LYS A 94 11.498 13.978 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.524 16.137 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.157 15.990 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.900 16.470 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.869 15.877 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.394 17.863 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.056 18.489 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.559 18.261 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.066 17.962 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.553 20.290 9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.202 20.108 9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.711 20.398 7.881 1.00 0.00 H new ATOM 1388 N ILE A 95 10.875 13.549 5.268 1.00 0.00 N ATOM 1389 CA ILE A 95 9.893 13.031 4.324 1.00 0.00 C ATOM 1390 C ILE A 95 10.248 11.616 3.881 1.00 0.00 C ATOM 1391 O ILE A 95 11.410 11.313 3.611 1.00 0.00 O ATOM 1392 CB ILE A 95 9.777 13.933 3.082 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.562 15.390 3.499 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.640 13.460 2.188 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.296 15.609 4.297 1.00 0.00 C ATOM 0 H ILE A 95 11.771 13.800 4.850 1.00 0.00 H new ATOM 0 HA ILE A 95 8.934 13.016 4.842 1.00 0.00 H new ATOM 0 HB ILE A 95 10.708 13.870 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.416 15.720 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.532 16.014 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.571 14.108 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.832 12.436 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.702 13.497 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.208 16.664 4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.434 15.310 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.332 15.011 5.208 1.00 0.00 H new ATOM 1407 N ALA A 96 9.239 10.755 3.805 1.00 0.00 N ATOM 1408 CA ALA A 96 9.444 9.373 3.390 1.00 0.00 C ATOM 1409 C ALA A 96 8.453 8.973 2.303 1.00 0.00 C ATOM 1410 O ALA A 96 7.269 9.300 2.379 1.00 0.00 O ATOM 1411 CB ALA A 96 9.325 8.439 4.586 1.00 0.00 C ATOM 0 H ALA A 96 8.271 10.990 4.025 1.00 0.00 H new ATOM 0 HA ALA A 96 10.449 9.289 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.480 7.410 4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.077 8.702 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.332 8.535 5.025 1.00 0.00 H new ATOM 1417 N ALA A 97 8.944 8.264 1.292 1.00 0.00 N ATOM 1418 CA ALA A 97 8.100 7.819 0.190 1.00 0.00 C ATOM 1419 C ALA A 97 7.790 6.330 0.303 1.00 0.00 C ATOM 1420 O ALA A 97 8.668 5.488 0.115 1.00 0.00 O ATOM 1421 CB ALA A 97 8.769 8.121 -1.143 1.00 0.00 C ATOM 0 H ALA A 97 9.922 7.985 1.213 1.00 0.00 H new ATOM 0 HA ALA A 97 7.158 8.365 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.127 7.783 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.934 9.195 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.726 7.602 -1.196 1.00 0.00 H new ATOM 1427 N ILE A 98 6.537 6.013 0.612 1.00 0.00 N ATOM 1428 CA ILE A 98 6.112 4.626 0.750 1.00 0.00 C ATOM 1429 C ILE A 98 5.171 4.225 -0.381 1.00 0.00 C ATOM 1430 O ILE A 98 4.235 4.953 -0.713 1.00 0.00 O ATOM 1431 CB ILE A 98 5.408 4.384 2.098 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.330 4.771 3.256 1.00 0.00 C ATOM 1433 CG2 ILE A 98 4.980 2.929 2.218 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.616 4.886 4.585 1.00 0.00 C ATOM 0 H ILE A 98 5.799 6.698 0.771 1.00 0.00 H new ATOM 0 HA ILE A 98 7.013 4.014 0.705 1.00 0.00 H new ATOM 0 HB ILE A 98 4.517 5.010 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.123 4.028 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.808 5.723 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.484 2.773 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.292 2.684 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.857 2.285 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.331 5.163 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.841 5.649 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.161 3.928 4.837 1.00 0.00 H new ATOM 1446 N VAL A 99 5.425 3.060 -0.970 1.00 0.00 N ATOM 1447 CA VAL A 99 4.599 2.559 -2.062 1.00 0.00 C ATOM 1448 C VAL A 99 3.844 1.301 -1.648 1.00 0.00 C ATOM 1449 O VAL A 99 4.395 0.201 -1.660 1.00 0.00 O ATOM 1450 CB VAL A 99 5.447 2.248 -3.310 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.553 1.881 -4.485 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.338 3.432 -3.656 1.00 0.00 C ATOM 0 H VAL A 99 6.196 2.446 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 99 3.884 3.345 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 99 6.086 1.393 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.169 1.665 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.962 1.001 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.887 2.714 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.930 3.196 -4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.719 4.307 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.004 3.643 -2.819 1.00 0.00 H new ATOM 1462 N VAL A 100 2.577 1.472 -1.282 1.00 0.00 N ATOM 1463 CA VAL A 100 1.744 0.350 -0.865 1.00 0.00 C ATOM 1464 C VAL A 100 0.750 -0.032 -1.956 1.00 0.00 C ATOM 1465 O VAL A 100 0.530 0.724 -2.903 1.00 0.00 O ATOM 1466 CB VAL A 100 0.972 0.674 0.428 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.926 1.142 1.516 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.100 1.720 0.160 1.00 0.00 C ATOM 0 H VAL A 100 2.105 2.376 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 100 2.414 -0.489 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 100 0.481 -0.235 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.363 1.366 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.652 0.357 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.447 2.039 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.636 1.937 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.367 2.632 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.800 1.341 -0.585 1.00 0.00 H new ATOM 1478 N LYS A 101 0.150 -1.209 -1.817 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.823 -1.692 -2.789 1.00 0.00 C ATOM 1480 C LYS A 101 -2.105 -2.145 -2.097 1.00 0.00 C ATOM 1481 O LYS A 101 -2.062 -2.878 -1.109 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.234 -2.848 -3.601 1.00 0.00 C ATOM 1483 CG LYS A 101 0.181 -4.037 -2.753 1.00 0.00 C ATOM 1484 CD LYS A 101 0.716 -5.173 -3.609 1.00 0.00 C ATOM 1485 CE LYS A 101 0.807 -6.470 -2.820 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.648 -7.484 -3.515 1.00 0.00 N ATOM 0 H LYS A 101 0.321 -1.847 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.065 -0.869 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.969 -3.176 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.633 -2.487 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.944 -3.727 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.673 -4.388 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.067 -5.316 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.702 -4.909 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.224 -6.267 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.194 -6.872 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.685 -8.353 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.236 -7.697 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.611 -7.110 -3.639 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.243 -1.705 -2.623 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.537 -2.066 -2.055 1.00 0.00 C ATOM 1502 C ARG A 102 -5.410 -2.764 -3.094 1.00 0.00 C ATOM 1503 O ARG A 102 -5.619 -2.268 -4.201 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.251 -0.821 -1.527 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.396 0.022 -0.594 1.00 0.00 C ATOM 1506 CD ARG A 102 -4.931 1.441 -0.478 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.865 2.410 -0.240 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.060 3.588 0.341 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.273 3.941 0.743 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.039 4.416 0.523 1.00 0.00 N ATOM 0 H ARG A 102 -3.296 -1.098 -3.441 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.364 -2.755 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.566 -0.208 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.155 -1.127 -1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.369 -0.440 0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.370 0.048 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.462 1.704 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.654 1.490 0.336 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.919 2.169 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.060 3.307 0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.419 4.847 1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.104 4.148 0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.189 5.321 0.969 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.934 -3.944 -2.729 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.793 -4.736 -3.615 1.00 0.00 C ATOM 1526 C PRO A 103 -8.156 -4.088 -3.832 1.00 0.00 C ATOM 1527 O PRO A 103 -8.852 -3.750 -2.875 1.00 0.00 O ATOM 1528 CB PRO A 103 -6.945 -6.063 -2.867 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.729 -5.718 -1.434 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.728 -4.596 -1.425 1.00 0.00 C ATOM 0 HA PRO A 103 -6.366 -4.839 -4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.933 -6.496 -3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.217 -6.797 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.662 -5.412 -0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.356 -6.578 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.904 -3.907 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.709 -4.968 -1.318 1.00 0.00 H new ATOM 1538 N ARG A 104 -8.530 -3.918 -5.096 1.00 0.00 N ATOM 1539 CA ARG A 104 -9.810 -3.309 -5.438 1.00 0.00 C ATOM 1540 C ARG A 104 -10.789 -4.357 -5.958 1.00 0.00 C ATOM 1541 O ARG A 104 -10.956 -4.521 -7.167 1.00 0.00 O ATOM 1542 CB ARG A 104 -9.614 -2.214 -6.487 1.00 0.00 C ATOM 1543 CG ARG A 104 -10.679 -1.131 -6.445 1.00 0.00 C ATOM 1544 CD ARG A 104 -10.751 -0.367 -7.758 1.00 0.00 C ATOM 1545 NE ARG A 104 -11.888 0.548 -7.797 1.00 0.00 N ATOM 1546 CZ ARG A 104 -13.150 0.148 -7.908 1.00 0.00 C ATOM 1547 NH1 ARG A 104 -13.434 -1.145 -7.988 1.00 0.00 N ATOM 1548 NH2 ARG A 104 -14.131 1.041 -7.937 1.00 0.00 N ATOM 0 H ARG A 104 -7.965 -4.193 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.226 -2.865 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.636 -1.755 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.609 -2.669 -7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.648 -1.581 -6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.463 -0.438 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.828 0.195 -7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.826 -1.073 -8.585 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.703 1.549 -7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.683 -1.835 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.404 -1.450 -8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.917 2.036 -7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.099 0.732 -8.022 1.00 0.00 H new ATOM 1562 N LYS A 105 -11.434 -5.066 -5.037 1.00 0.00 N ATOM 1563 CA LYS A 105 -12.397 -6.098 -5.401 1.00 0.00 C ATOM 1564 C LYS A 105 -13.504 -5.524 -6.280 1.00 0.00 C ATOM 1565 O LYS A 105 -13.891 -4.365 -6.130 1.00 0.00 O ATOM 1566 CB LYS A 105 -13.003 -6.725 -4.144 1.00 0.00 C ATOM 1567 CG LYS A 105 -12.059 -7.668 -3.419 1.00 0.00 C ATOM 1568 CD LYS A 105 -12.378 -7.746 -1.936 1.00 0.00 C ATOM 1569 CE LYS A 105 -11.723 -8.956 -1.287 1.00 0.00 C ATOM 1570 NZ LYS A 105 -11.747 -8.870 0.199 1.00 0.00 N ATOM 0 H LYS A 105 -11.307 -4.944 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.871 -6.867 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.305 -5.931 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.906 -7.269 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.128 -8.663 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.031 -7.330 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.036 -6.837 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.458 -7.798 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.237 -9.862 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.691 -9.038 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.291 -9.713 0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.234 -8.019 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.732 -8.818 0.528 1.00 0.00 H new ATOM 1584 N VAL A 106 -14.011 -6.343 -7.196 1.00 0.00 N ATOM 1585 CA VAL A 106 -15.076 -5.917 -8.096 1.00 0.00 C ATOM 1586 C VAL A 106 -16.379 -5.690 -7.338 1.00 0.00 C ATOM 1587 O VAL A 106 -17.041 -6.642 -6.925 1.00 0.00 O ATOM 1588 CB VAL A 106 -15.317 -6.953 -9.210 1.00 0.00 C ATOM 1589 CG1 VAL A 106 -16.460 -6.513 -10.112 1.00 0.00 C ATOM 1590 CG2 VAL A 106 -14.046 -7.173 -10.016 1.00 0.00 C ATOM 0 H VAL A 106 -13.701 -7.305 -7.334 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.753 -4.978 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 106 -15.596 -7.900 -8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -16.615 -7.258 -10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -17.371 -6.411 -9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -16.215 -5.554 -10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -14.234 -7.908 -10.799 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -13.735 -6.232 -10.469 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -13.257 -7.537 -9.358 1.00 0.00 H new ATOM 1600 N GLN A 107 -16.741 -4.424 -7.161 1.00 0.00 N ATOM 1601 CA GLN A 107 -17.966 -4.072 -6.452 1.00 0.00 C ATOM 1602 C GLN A 107 -18.718 -2.964 -7.182 1.00 0.00 C ATOM 1603 O GLN A 107 -18.122 -1.983 -7.626 1.00 0.00 O ATOM 1604 CB GLN A 107 -17.644 -3.630 -5.023 1.00 0.00 C ATOM 1605 CG GLN A 107 -17.032 -2.241 -4.939 1.00 0.00 C ATOM 1606 CD GLN A 107 -16.454 -1.940 -3.570 1.00 0.00 C ATOM 1607 OE1 GLN A 107 -15.562 -2.641 -3.092 1.00 0.00 O ATOM 1608 NE2 GLN A 107 -16.961 -0.892 -2.931 1.00 0.00 N ATOM 0 H GLN A 107 -16.204 -3.625 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 107 -18.603 -4.956 -6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -18.558 -3.651 -4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -16.957 -4.348 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -16.247 -2.148 -5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.792 -1.498 -5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -17.700 -0.339 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.612 -0.641 -2.006 1.00 0.00 H new ATOM 1617 N VAL A 108 -20.032 -3.129 -7.303 1.00 0.00 N ATOM 1618 CA VAL A 108 -20.867 -2.143 -7.979 1.00 0.00 C ATOM 1619 C VAL A 108 -21.329 -1.059 -7.012 1.00 0.00 C ATOM 1620 O VAL A 108 -21.771 -1.351 -5.901 1.00 0.00 O ATOM 1621 CB VAL A 108 -22.101 -2.800 -8.625 1.00 0.00 C ATOM 1622 CG1 VAL A 108 -21.691 -3.649 -9.818 1.00 0.00 C ATOM 1623 CG2 VAL A 108 -22.856 -3.634 -7.601 1.00 0.00 C ATOM 0 H VAL A 108 -20.541 -3.936 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 108 -20.255 -1.692 -8.760 1.00 0.00 H new ATOM 0 HB VAL A 108 -22.766 -2.013 -8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -22.576 -4.105 -10.261 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -21.197 -3.021 -10.559 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -21.006 -4.431 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -23.725 -4.091 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.201 -4.414 -7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.183 -2.995 -6.781 1.00 0.00 H new ATOM 1633 N ALA A 109 -21.226 0.194 -7.442 1.00 0.00 N ATOM 1634 CA ALA A 109 -21.636 1.322 -6.615 1.00 0.00 C ATOM 1635 C ALA A 109 -23.033 1.105 -6.045 1.00 0.00 C ATOM 1636 O ALA A 109 -23.913 0.539 -6.693 1.00 0.00 O ATOM 1637 CB ALA A 109 -21.587 2.612 -7.421 1.00 0.00 C ATOM 0 H ALA A 109 -20.862 0.454 -8.359 1.00 0.00 H new ATOM 0 HA ALA A 109 -20.940 1.401 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -21.896 3.446 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -20.570 2.781 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -22.260 2.533 -8.275 1.00 0.00 H new ATOM 1643 N PRO A 110 -23.244 1.565 -4.802 1.00 0.00 N ATOM 1644 CA PRO A 110 -24.533 1.432 -4.117 1.00 0.00 C ATOM 1645 C PRO A 110 -25.611 2.318 -4.733 1.00 0.00 C ATOM 1646 O PRO A 110 -25.410 3.518 -4.921 1.00 0.00 O ATOM 1647 CB PRO A 110 -24.223 1.883 -2.688 1.00 0.00 C ATOM 1648 CG PRO A 110 -23.048 2.789 -2.822 1.00 0.00 C ATOM 1649 CD PRO A 110 -22.240 2.251 -3.971 1.00 0.00 C ATOM 0 HA PRO A 110 -24.927 0.418 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -25.073 2.401 -2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -23.996 1.033 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -23.365 3.814 -3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -22.460 2.804 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -21.741 3.050 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.464 1.566 -3.630 1.00 0.00 H new ATOM 1657 N LEU A 111 -26.755 1.719 -5.045 1.00 0.00 N ATOM 1658 CA LEU A 111 -27.866 2.454 -5.640 1.00 0.00 C ATOM 1659 C LEU A 111 -28.671 3.184 -4.570 1.00 0.00 C ATOM 1660 O LEU A 111 -29.149 2.573 -3.614 1.00 0.00 O ATOM 1661 CB LEU A 111 -28.775 1.501 -6.418 1.00 0.00 C ATOM 1662 CG LEU A 111 -29.516 2.104 -7.612 1.00 0.00 C ATOM 1663 CD1 LEU A 111 -28.588 2.221 -8.811 1.00 0.00 C ATOM 1664 CD2 LEU A 111 -30.738 1.267 -7.960 1.00 0.00 C ATOM 0 H LEU A 111 -26.938 0.727 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 111 -27.454 3.194 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -28.172 0.666 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -29.512 1.090 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 111 -29.852 3.104 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -29.132 2.652 -9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -27.745 2.863 -8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -28.221 1.232 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -31.253 1.711 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -30.425 0.254 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -31.413 1.235 -7.105 1.00 0.00 H new ATOM 1676 N SER A 112 -28.818 4.494 -4.738 1.00 0.00 N ATOM 1677 CA SER A 112 -29.564 5.308 -3.786 1.00 0.00 C ATOM 1678 C SER A 112 -30.953 4.724 -3.544 1.00 0.00 C ATOM 1679 O SER A 112 -31.420 3.871 -4.296 1.00 0.00 O ATOM 1680 CB SER A 112 -29.684 6.745 -4.295 1.00 0.00 C ATOM 1681 OG SER A 112 -30.374 6.792 -5.532 1.00 0.00 O ATOM 0 H SER A 112 -28.430 5.015 -5.525 1.00 0.00 H new ATOM 0 HA SER A 112 -29.020 5.310 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.210 7.352 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 112 -28.690 7.177 -4.413 1.00 0.00 H new ATOM 0 HG SER A 112 -30.439 7.722 -5.835 1.00 0.00 H new ATOM 1687 N GLY A 113 -31.609 5.193 -2.486 1.00 0.00 N ATOM 1688 CA GLY A 113 -32.938 4.707 -2.162 1.00 0.00 C ATOM 1689 C GLY A 113 -33.240 4.790 -0.679 1.00 0.00 C ATOM 1690 O GLY A 113 -32.570 4.172 0.148 1.00 0.00 O ATOM 0 H GLY A 113 -31.244 5.900 -1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -33.678 5.287 -2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -33.034 3.672 -2.492 1.00 0.00 H new ATOM 1694 N PRO A 114 -34.271 5.572 -0.324 1.00 0.00 N ATOM 1695 CA PRO A 114 -34.683 5.753 1.071 1.00 0.00 C ATOM 1696 C PRO A 114 -35.309 4.493 1.659 1.00 0.00 C ATOM 1697 O PRO A 114 -36.220 3.909 1.072 1.00 0.00 O ATOM 1698 CB PRO A 114 -35.719 6.877 0.991 1.00 0.00 C ATOM 1699 CG PRO A 114 -36.256 6.800 -0.396 1.00 0.00 C ATOM 1700 CD PRO A 114 -35.114 6.338 -1.258 1.00 0.00 C ATOM 0 HA PRO A 114 -33.837 5.979 1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -36.509 6.740 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -35.265 7.848 1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -37.093 6.104 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -36.626 7.771 -0.726 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -35.460 5.720 -2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -34.572 7.178 -1.692 1.00 0.00 H new ATOM 1708 N SER A 115 -34.814 4.079 2.821 1.00 0.00 N ATOM 1709 CA SER A 115 -35.323 2.886 3.487 1.00 0.00 C ATOM 1710 C SER A 115 -35.676 3.184 4.941 1.00 0.00 C ATOM 1711 O SER A 115 -34.822 3.116 5.825 1.00 0.00 O ATOM 1712 CB SER A 115 -34.290 1.760 3.422 1.00 0.00 C ATOM 1713 OG SER A 115 -33.092 2.128 4.084 1.00 0.00 O ATOM 0 H SER A 115 -34.061 4.552 3.321 1.00 0.00 H new ATOM 0 HA SER A 115 -36.228 2.569 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 115 -34.700 0.859 3.879 1.00 0.00 H new ATOM 0 HB3 SER A 115 -34.075 1.519 2.381 1.00 0.00 H new ATOM 0 HG SER A 115 -33.309 2.627 4.899 1.00 0.00 H new ATOM 1719 N SER A 116 -36.941 3.514 5.180 1.00 0.00 N ATOM 1720 CA SER A 116 -37.408 3.827 6.526 1.00 0.00 C ATOM 1721 C SER A 116 -38.878 3.452 6.692 1.00 0.00 C ATOM 1722 O SER A 116 -39.754 4.030 6.050 1.00 0.00 O ATOM 1723 CB SER A 116 -37.213 5.314 6.824 1.00 0.00 C ATOM 1724 OG SER A 116 -35.892 5.577 7.267 1.00 0.00 O ATOM 0 H SER A 116 -37.661 3.572 4.460 1.00 0.00 H new ATOM 0 HA SER A 116 -36.819 3.242 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 116 -37.422 5.898 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 116 -37.925 5.632 7.585 1.00 0.00 H new ATOM 0 HG SER A 116 -35.291 4.876 6.938 1.00 0.00 H new ATOM 1730 N GLY A 117 -39.140 2.478 7.559 1.00 0.00 N ATOM 1731 CA GLY A 117 -40.504 2.042 7.794 1.00 0.00 C ATOM 1732 C GLY A 117 -40.701 1.482 9.189 1.00 0.00 C ATOM 1733 O GLY A 117 -39.864 1.683 10.069 1.00 0.00 O ATOM 0 H GLY A 117 -38.432 1.984 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -41.182 2.882 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -40.771 1.282 7.060 1.00 0.00 H new TER 1737 GLY A 117