USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 81:sc= 0.31 USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= 0.564 (180deg=0.312) USER MOD Single : A 11 ASN : amide:sc= -0.333 K(o=-0.33,f=-6!) USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -122:sc= 0.197 USER MOD Single : A 18 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.28) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.942 F(o=-3.3,f=-0.94) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 11:sc= -0.0598 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 27 GLN : amide:sc= -2.33! C(o=-2.3!,f=-11!) USER MOD Single : A 30 ASN : amide:sc=-3.87e-06 X(o=-3.9e-06,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -59:sc= -0.827 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.212 (180deg=-0.747) USER MOD Single : A 37 SER OG : rot 170:sc= 0.139 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.87) USER MOD Single : A 42 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.059) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.199 USER MOD Single : A 56 SER OG : rot -44:sc= 0.515 USER MOD Single : A 61 THR OG1 : rot -171:sc= -0.692 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 27:sc= -0.368! USER MOD Single : A 68 THR OG1 : rot -33:sc= 1.06 USER MOD Single : A 69 MET CE :methyl -153:sc= -0.469 (180deg=-1.58!) USER MOD Single : A 72 ASN : amide:sc= -0.991 K(o=-0.99,f=-2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.02 F(o=-4.9!,f=-1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -140:sc= -0.389 USER MOD Single : A 96 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.014) USER MOD Single : A 100 GLN : amide:sc= -0.126 K(o=-0.13,f=-3.4!) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -130:sc= -0.118 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.928 -14.546 4.471 1.00 0.00 N ATOM 2 CA ALA A 1 12.664 -13.905 5.541 1.00 0.00 C ATOM 3 C ALA A 1 12.547 -12.382 5.409 1.00 0.00 C ATOM 4 O ALA A 1 13.537 -11.685 5.213 1.00 0.00 O ATOM 5 CB ALA A 1 14.130 -14.300 5.494 1.00 0.00 C ATOM 0 H1 ALA A 1 12.010 -15.579 4.564 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.926 -14.271 4.526 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.319 -14.249 3.554 1.00 0.00 H new ATOM 0 HA ALA A 1 12.241 -14.228 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.666 -13.808 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.219 -15.381 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.559 -13.995 4.539 1.00 0.00 H new ATOM 13 N PHE A 2 11.264 -11.968 5.531 1.00 0.00 N ATOM 14 CA PHE A 2 10.941 -10.552 5.430 1.00 0.00 C ATOM 15 C PHE A 2 11.085 -9.965 6.844 1.00 0.00 C ATOM 16 O PHE A 2 10.971 -8.766 7.087 1.00 0.00 O ATOM 17 CB PHE A 2 9.494 -10.359 5.000 1.00 0.00 C ATOM 18 CG PHE A 2 9.299 -10.127 3.508 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.071 -10.640 2.505 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.244 -9.320 3.093 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.752 -10.329 1.206 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.015 -9.079 1.752 1.00 0.00 C ATOM 23 CZ PHE A 2 8.686 -9.522 0.845 1.00 0.00 C ATOM 0 H PHE A 2 10.467 -12.584 5.694 1.00 0.00 H new ATOM 0 HA PHE A 2 11.596 -10.074 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.921 -11.238 5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.078 -9.511 5.543 1.00 0.00 H new ATOM 0 HD1 PHE A 2 10.914 -11.277 2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.594 -8.875 3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.369 -10.738 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.176 -8.450 1.493 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.465 -9.300 -0.188 1.00 0.00 H new ATOM 33 N ASP A 3 11.350 -10.882 7.813 1.00 0.00 N ATOM 34 CA ASP A 3 11.486 -10.390 9.151 1.00 0.00 C ATOM 35 C ASP A 3 12.516 -9.303 9.385 1.00 0.00 C ATOM 36 O ASP A 3 13.719 -9.582 9.410 1.00 0.00 O ATOM 37 CB ASP A 3 11.874 -11.574 10.084 1.00 0.00 C ATOM 38 CG ASP A 3 12.947 -12.477 9.492 1.00 0.00 C ATOM 39 OD1 ASP A 3 13.655 -12.132 8.542 1.00 0.00 O ATOM 40 OD2 ASP A 3 13.079 -13.592 10.023 1.00 0.00 O ATOM 0 H ASP A 3 11.462 -11.887 7.681 1.00 0.00 H new ATOM 0 HA ASP A 3 10.516 -9.940 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.227 -11.177 11.036 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.985 -12.168 10.296 1.00 0.00 H new ATOM 45 N GLY A 4 12.024 -8.057 9.560 1.00 0.00 N ATOM 46 CA GLY A 4 13.056 -7.027 9.790 1.00 0.00 C ATOM 47 C GLY A 4 12.350 -5.725 9.539 1.00 0.00 C ATOM 48 O GLY A 4 11.337 -5.795 8.843 1.00 0.00 O ATOM 0 H GLY A 4 11.047 -7.763 9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.447 -7.077 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.903 -7.156 9.116 1.00 0.00 H new ATOM 52 N THR A 5 12.835 -4.574 10.064 1.00 0.00 N ATOM 53 CA THR A 5 11.995 -3.446 9.687 1.00 0.00 C ATOM 54 C THR A 5 12.301 -3.013 8.259 1.00 0.00 C ATOM 55 O THR A 5 13.370 -3.427 7.799 1.00 0.00 O ATOM 56 CB THR A 5 12.407 -2.290 10.626 1.00 0.00 C ATOM 57 OG1 THR A 5 13.711 -1.854 10.434 1.00 0.00 O ATOM 58 CG2 THR A 5 12.285 -2.748 12.090 1.00 0.00 C ATOM 0 H THR A 5 13.657 -4.420 10.648 1.00 0.00 H new ATOM 0 HA THR A 5 10.939 -3.707 9.759 1.00 0.00 H new ATOM 0 HB THR A 5 11.736 -1.463 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.742 -1.242 9.669 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.576 -1.932 12.752 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.254 -3.033 12.297 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.939 -3.603 12.259 1.00 0.00 H new ATOM 66 N TRP A 6 11.393 -2.234 7.667 1.00 0.00 N ATOM 67 CA TRP A 6 11.483 -1.705 6.329 1.00 0.00 C ATOM 68 C TRP A 6 11.150 -0.213 6.305 1.00 0.00 C ATOM 69 O TRP A 6 10.539 0.140 7.296 1.00 0.00 O ATOM 70 CB TRP A 6 10.478 -2.388 5.376 1.00 0.00 C ATOM 71 CG TRP A 6 10.918 -3.723 4.871 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.981 -4.816 5.782 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.336 -4.253 3.588 1.00 0.00 C ATOM 74 NE1 TRP A 6 11.385 -5.837 5.093 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.630 -5.608 3.752 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.471 -3.679 2.362 1.00 0.00 C ATOM 77 CZ2 TRP A 6 12.046 -6.371 2.732 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.906 -4.487 1.316 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.198 -5.821 1.466 1.00 0.00 C ATOM 0 H TRP A 6 10.537 -1.948 8.142 1.00 0.00 H new ATOM 0 HA TRP A 6 12.507 -1.888 6.004 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.526 -2.504 5.894 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.299 -1.732 4.524 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.741 -4.798 6.835 1.00 0.00 H new ATOM 0 HE1 TRP A 6 11.515 -6.756 5.516 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.249 -2.634 2.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.264 -7.416 2.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 12.020 -4.043 0.338 1.00 0.00 H new ATOM 0 HH2 TRP A 6 12.533 -6.419 0.631 1.00 0.00 H new ATOM 90 N LYS A 7 11.491 0.549 5.290 1.00 0.00 N ATOM 91 CA LYS A 7 11.179 1.938 5.209 1.00 0.00 C ATOM 92 C LYS A 7 11.511 2.826 6.430 1.00 0.00 C ATOM 93 O LYS A 7 11.973 2.373 7.437 1.00 0.00 O ATOM 94 CB LYS A 7 9.619 2.084 5.080 1.00 0.00 C ATOM 95 CG LYS A 7 9.356 1.401 3.782 1.00 0.00 C ATOM 96 CD LYS A 7 8.051 1.859 3.091 1.00 0.00 C ATOM 97 CE LYS A 7 6.949 2.423 3.962 1.00 0.00 C ATOM 98 NZ LYS A 7 5.688 1.667 4.016 1.00 0.00 N ATOM 0 H LYS A 7 12.007 0.200 4.482 1.00 0.00 H new ATOM 0 HA LYS A 7 11.791 2.274 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.094 1.607 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.306 3.128 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.195 1.582 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.309 0.325 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.312 2.615 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.644 1.007 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.333 2.514 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.725 3.431 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.911 2.306 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.492 1.251 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.768 0.909 4.723 1.00 0.00 H new ATOM 112 N VAL A 8 11.136 4.047 6.083 1.00 0.00 N ATOM 113 CA VAL A 8 11.134 5.237 6.898 1.00 0.00 C ATOM 114 C VAL A 8 11.423 5.019 8.340 1.00 0.00 C ATOM 115 O VAL A 8 10.679 4.629 9.204 1.00 0.00 O ATOM 116 CB VAL A 8 9.630 5.643 6.719 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.987 6.408 7.843 1.00 0.00 C ATOM 118 CG2 VAL A 8 9.493 6.584 5.511 1.00 0.00 C ATOM 0 H VAL A 8 10.797 4.240 5.141 1.00 0.00 H new ATOM 0 HA VAL A 8 11.902 5.954 6.606 1.00 0.00 H new ATOM 0 HB VAL A 8 9.134 4.676 6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.949 6.624 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.021 5.812 8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.524 7.343 8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.448 6.866 5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.093 7.479 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.841 6.075 4.612 1.00 0.00 H new ATOM 128 N ASP A 9 12.718 5.327 8.629 1.00 0.00 N ATOM 129 CA ASP A 9 13.220 5.188 9.983 1.00 0.00 C ATOM 130 C ASP A 9 14.512 6.019 10.093 1.00 0.00 C ATOM 131 O ASP A 9 15.585 5.569 9.716 1.00 0.00 O ATOM 132 CB ASP A 9 13.498 3.736 10.304 1.00 0.00 C ATOM 133 CG ASP A 9 14.110 3.585 11.714 1.00 0.00 C ATOM 134 OD1 ASP A 9 13.476 3.898 12.723 1.00 0.00 O ATOM 135 OD2 ASP A 9 15.243 3.133 11.737 1.00 0.00 O ATOM 0 H ASP A 9 13.400 5.662 7.948 1.00 0.00 H new ATOM 0 HA ASP A 9 12.477 5.544 10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.573 3.163 10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.180 3.320 9.562 1.00 0.00 H new ATOM 140 N ARG A 10 14.332 7.242 10.627 1.00 0.00 N ATOM 141 CA ARG A 10 15.482 8.099 10.776 1.00 0.00 C ATOM 142 C ARG A 10 15.106 9.441 11.434 1.00 0.00 C ATOM 143 O ARG A 10 14.006 9.923 11.237 1.00 0.00 O ATOM 144 CB ARG A 10 16.094 8.432 9.399 1.00 0.00 C ATOM 145 CG ARG A 10 17.603 8.691 9.431 1.00 0.00 C ATOM 146 CD ARG A 10 18.304 8.708 8.079 1.00 0.00 C ATOM 147 NE ARG A 10 18.013 10.008 7.486 1.00 0.00 N ATOM 148 CZ ARG A 10 18.236 10.261 6.171 1.00 0.00 C ATOM 149 NH1 ARG A 10 18.735 9.337 5.345 1.00 0.00 N ATOM 150 NH2 ARG A 10 17.924 11.487 5.769 1.00 0.00 N ATOM 0 H ARG A 10 13.442 7.628 10.943 1.00 0.00 H new ATOM 0 HA ARG A 10 16.192 7.558 11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.892 7.608 8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.594 9.312 8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.777 9.649 9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.070 7.926 10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.378 8.565 8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.942 7.900 7.443 1.00 0.00 H new ATOM 0 HE ARG A 10 17.631 10.748 8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.961 8.407 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.890 9.562 4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.546 12.161 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.063 11.755 4.795 1.00 0.00 H new ATOM 164 N ASN A 11 16.090 9.961 12.196 1.00 0.00 N ATOM 165 CA ASN A 11 15.904 11.231 12.890 1.00 0.00 C ATOM 166 C ASN A 11 14.904 11.075 14.048 1.00 0.00 C ATOM 167 O ASN A 11 14.098 10.161 14.001 1.00 0.00 O ATOM 168 CB ASN A 11 15.348 12.292 11.953 1.00 0.00 C ATOM 169 CG ASN A 11 15.815 13.700 12.332 1.00 0.00 C ATOM 170 OD1 ASN A 11 15.617 14.139 13.447 1.00 0.00 O ATOM 171 ND2 ASN A 11 16.415 14.256 11.274 1.00 0.00 N ATOM 0 H ASN A 11 17.001 9.524 12.339 1.00 0.00 H new ATOM 0 HA ASN A 11 16.883 11.533 13.263 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.658 12.071 10.932 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.259 12.255 11.971 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.793 15.201 11.340 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.495 13.735 10.401 1.00 0.00 H new ATOM 178 N GLU A 12 15.030 11.994 15.008 1.00 0.00 N ATOM 179 CA GLU A 12 14.159 11.994 16.183 1.00 0.00 C ATOM 180 C GLU A 12 13.153 13.144 16.009 1.00 0.00 C ATOM 181 O GLU A 12 13.489 14.263 16.401 1.00 0.00 O ATOM 182 CB GLU A 12 15.049 12.135 17.413 1.00 0.00 C ATOM 183 CG GLU A 12 15.799 10.822 17.703 1.00 0.00 C ATOM 184 CD GLU A 12 14.847 9.628 17.742 1.00 0.00 C ATOM 185 OE1 GLU A 12 13.918 9.633 18.533 1.00 0.00 O ATOM 186 OE2 GLU A 12 15.077 8.696 16.962 1.00 0.00 O ATOM 0 H GLU A 12 15.722 12.743 14.995 1.00 0.00 H new ATOM 0 HA GLU A 12 13.585 11.075 16.303 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.766 12.941 17.257 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.442 12.410 18.276 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.557 10.659 16.937 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.321 10.903 18.656 1.00 0.00 H new ATOM 193 N ASN A 13 11.983 12.791 15.425 1.00 0.00 N ATOM 194 CA ASN A 13 10.912 13.743 15.171 1.00 0.00 C ATOM 195 C ASN A 13 9.942 13.739 16.347 1.00 0.00 C ATOM 196 O ASN A 13 9.525 12.703 16.854 1.00 0.00 O ATOM 197 CB ASN A 13 10.202 13.314 13.878 1.00 0.00 C ATOM 198 CG ASN A 13 10.786 14.035 12.645 1.00 0.00 C ATOM 199 OD1 ASN A 13 12.131 14.062 12.624 1.00 0.00 O flip ATOM 200 ND2 ASN A 13 10.050 14.511 11.813 1.00 0.00 N flip ATOM 0 H ASN A 13 11.770 11.840 15.124 1.00 0.00 H new ATOM 0 HA ASN A 13 11.304 14.754 15.058 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.298 12.236 13.750 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.137 13.532 13.957 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.039 14.436 11.924 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.440 14.988 11.000 1.00 0.00 H new ATOM 207 N TYR A 14 9.613 14.974 16.743 1.00 0.00 N ATOM 208 CA TYR A 14 8.689 15.121 17.859 1.00 0.00 C ATOM 209 C TYR A 14 7.280 15.106 17.252 1.00 0.00 C ATOM 210 O TYR A 14 6.292 15.013 17.950 1.00 0.00 O ATOM 211 CB TYR A 14 8.928 16.471 18.549 1.00 0.00 C ATOM 212 CG TYR A 14 8.243 17.597 17.833 1.00 0.00 C ATOM 213 CD1 TYR A 14 8.820 18.312 16.799 1.00 0.00 C ATOM 214 CD2 TYR A 14 6.969 18.032 18.136 1.00 0.00 C ATOM 215 CE1 TYR A 14 8.139 19.358 16.158 1.00 0.00 C ATOM 216 CE2 TYR A 14 6.387 19.070 17.447 1.00 0.00 C ATOM 217 CZ TYR A 14 6.865 19.717 16.539 1.00 0.00 C ATOM 218 OH TYR A 14 6.158 20.748 15.936 1.00 0.00 O ATOM 0 H TYR A 14 9.955 15.841 16.329 1.00 0.00 H new ATOM 0 HA TYR A 14 8.821 14.327 18.594 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.567 16.422 19.576 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.999 16.669 18.596 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.819 18.059 16.477 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.419 17.548 18.929 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.622 19.891 15.352 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.386 19.341 17.750 1.00 0.00 H new ATOM 0 HH TYR A 14 5.278 20.832 16.358 1.00 0.00 H new ATOM 228 N SER A 15 7.233 15.202 15.894 1.00 0.00 N ATOM 229 CA SER A 15 5.918 15.187 15.277 1.00 0.00 C ATOM 230 C SER A 15 6.135 14.854 13.798 1.00 0.00 C ATOM 231 O SER A 15 7.125 15.327 13.251 1.00 0.00 O ATOM 232 CB SER A 15 5.216 16.536 15.480 1.00 0.00 C ATOM 233 OG SER A 15 5.553 17.380 14.400 1.00 0.00 O ATOM 0 H SER A 15 8.032 15.284 15.265 1.00 0.00 H new ATOM 0 HA SER A 15 5.264 14.442 15.730 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.136 16.398 15.531 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.524 16.986 16.424 1.00 0.00 H new ATOM 0 HG SER A 15 5.979 18.194 14.741 1.00 0.00 H new ATOM 239 N GLY A 16 5.205 14.065 13.263 1.00 0.00 N ATOM 240 CA GLY A 16 5.340 13.701 11.861 1.00 0.00 C ATOM 241 C GLY A 16 4.070 14.033 11.086 1.00 0.00 C ATOM 242 O GLY A 16 3.778 13.556 10.016 1.00 0.00 O ATOM 0 H GLY A 16 4.393 13.685 13.750 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.186 14.231 11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.553 12.635 11.777 1.00 0.00 H new ATOM 246 N ALA A 17 3.302 14.930 11.745 1.00 0.00 N ATOM 247 CA ALA A 17 2.042 15.345 11.104 1.00 0.00 C ATOM 248 C ALA A 17 1.167 14.110 11.020 1.00 0.00 C ATOM 249 O ALA A 17 0.204 14.112 10.232 1.00 0.00 O ATOM 250 CB ALA A 17 2.388 15.999 9.760 1.00 0.00 C ATOM 0 H ALA A 17 3.511 15.351 12.650 1.00 0.00 H new ATOM 0 HA ALA A 17 1.479 16.095 11.659 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.471 16.316 9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.027 16.866 9.931 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.912 15.280 9.130 1.00 0.00 H new ATOM 256 N HIS A 18 1.526 13.112 11.832 1.00 0.00 N ATOM 257 CA HIS A 18 0.767 11.879 11.852 1.00 0.00 C ATOM 258 C HIS A 18 0.711 11.213 10.467 1.00 0.00 C ATOM 259 O HIS A 18 -0.391 11.004 9.947 1.00 0.00 O ATOM 260 CB HIS A 18 -0.637 12.144 12.379 1.00 0.00 C ATOM 261 CG HIS A 18 -0.507 13.073 13.572 1.00 0.00 C ATOM 262 ND1 HIS A 18 -1.409 14.034 13.835 1.00 0.00 N ATOM 263 CD2 HIS A 18 0.510 13.082 14.524 1.00 0.00 C ATOM 264 CE1 HIS A 18 -1.004 14.669 14.939 1.00 0.00 C ATOM 265 NE2 HIS A 18 0.285 14.046 15.422 1.00 0.00 N ATOM 0 H HIS A 18 2.322 13.140 12.469 1.00 0.00 H new ATOM 0 HA HIS A 18 1.277 11.184 12.519 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.258 12.597 11.606 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.120 11.211 12.670 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.355 12.410 14.535 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.516 15.495 15.410 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.846 14.299 16.235 1.00 0.00 H new ATOM 274 N ASP A 19 1.936 10.924 9.965 1.00 0.00 N ATOM 275 CA ASP A 19 2.063 10.289 8.657 1.00 0.00 C ATOM 276 C ASP A 19 2.526 8.813 8.831 1.00 0.00 C ATOM 277 O ASP A 19 1.811 7.995 8.309 1.00 0.00 O ATOM 278 CB ASP A 19 3.068 11.105 7.881 1.00 0.00 C ATOM 279 CG ASP A 19 2.336 12.279 7.221 1.00 0.00 C ATOM 280 OD1 ASP A 19 1.688 12.988 7.996 1.00 0.00 O ATOM 281 OD2 ASP A 19 2.400 12.481 6.011 1.00 0.00 O ATOM 0 H ASP A 19 2.818 11.118 10.439 1.00 0.00 H new ATOM 0 HA ASP A 19 1.114 10.259 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.851 11.472 8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.554 10.488 7.125 1.00 0.00 H new ATOM 286 N ASN A 20 3.654 8.731 9.547 1.00 0.00 N ATOM 287 CA ASN A 20 4.341 7.515 9.896 1.00 0.00 C ATOM 288 C ASN A 20 3.840 6.251 9.188 1.00 0.00 C ATOM 289 O ASN A 20 2.749 5.712 9.362 1.00 0.00 O ATOM 290 CB ASN A 20 4.216 7.367 11.414 1.00 0.00 C ATOM 291 CG ASN A 20 2.759 7.115 11.833 1.00 0.00 C ATOM 292 OD1 ASN A 20 1.997 8.211 11.648 1.00 0.00 O flip ATOM 293 ND2 ASN A 20 2.443 6.018 12.266 1.00 0.00 N flip ATOM 0 H ASN A 20 4.123 9.561 9.909 1.00 0.00 H new ATOM 0 HA ASN A 20 5.374 7.604 9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.842 6.542 11.754 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.586 8.269 11.901 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.143 5.281 12.347 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.479 5.839 12.546 1.00 0.00 H new ATOM 300 N LEU A 21 4.767 5.796 8.332 1.00 0.00 N ATOM 301 CA LEU A 21 4.510 4.583 7.541 1.00 0.00 C ATOM 302 C LEU A 21 5.892 3.866 7.582 1.00 0.00 C ATOM 303 O LEU A 21 6.891 4.559 7.493 1.00 0.00 O ATOM 304 CB LEU A 21 4.122 4.872 6.116 1.00 0.00 C ATOM 305 CG LEU A 21 3.640 6.285 5.763 1.00 0.00 C ATOM 306 CD1 LEU A 21 4.813 7.208 5.427 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.785 6.254 4.477 1.00 0.00 C ATOM 0 H LEU A 21 5.674 6.233 8.172 1.00 0.00 H new ATOM 0 HA LEU A 21 3.675 4.005 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.983 4.648 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.333 4.173 5.839 1.00 0.00 H new ATOM 0 HG LEU A 21 3.084 6.641 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.436 8.201 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.481 7.275 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.359 6.806 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.450 7.263 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.382 5.866 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.919 5.611 4.632 1.00 0.00 H new ATOM 319 N LYS A 22 5.785 2.559 7.711 1.00 0.00 N ATOM 320 CA LYS A 22 6.906 1.674 7.774 1.00 0.00 C ATOM 321 C LYS A 22 6.308 0.267 7.446 1.00 0.00 C ATOM 322 O LYS A 22 5.152 0.054 7.686 1.00 0.00 O ATOM 323 CB LYS A 22 7.413 1.385 9.220 1.00 0.00 C ATOM 324 CG LYS A 22 6.470 1.856 10.326 1.00 0.00 C ATOM 325 CD LYS A 22 6.913 1.730 11.777 1.00 0.00 C ATOM 326 CE LYS A 22 8.049 2.652 12.242 1.00 0.00 C ATOM 327 NZ LYS A 22 7.570 3.694 13.143 1.00 0.00 N ATOM 0 H LYS A 22 4.886 2.081 7.776 1.00 0.00 H new ATOM 0 HA LYS A 22 7.687 2.107 7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.573 0.312 9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.381 1.867 9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.244 2.906 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.535 1.305 10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.047 1.913 12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.222 0.699 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.814 2.060 12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.522 3.112 11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.367 4.295 13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.859 4.275 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.142 3.256 13.984 1.00 0.00 H new ATOM 341 N LEU A 23 7.293 -0.444 6.932 1.00 0.00 N ATOM 342 CA LEU A 23 6.973 -1.813 6.545 1.00 0.00 C ATOM 343 C LEU A 23 7.876 -2.540 7.596 1.00 0.00 C ATOM 344 O LEU A 23 8.569 -1.768 8.285 1.00 0.00 O ATOM 345 CB LEU A 23 7.260 -2.148 5.138 1.00 0.00 C ATOM 346 CG LEU A 23 6.114 -1.962 4.106 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.717 -1.746 2.695 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.181 -3.111 3.868 1.00 0.00 C ATOM 0 H LEU A 23 8.252 -0.133 6.779 1.00 0.00 H new ATOM 0 HA LEU A 23 5.916 -2.077 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.106 -1.541 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.581 -3.189 5.099 1.00 0.00 H new ATOM 0 HG LEU A 23 5.557 -1.138 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.912 -1.616 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.347 -0.857 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.316 -2.614 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.437 -2.828 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.747 -3.970 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.680 -3.372 4.800 1.00 0.00 H new ATOM 360 N THR A 24 7.814 -3.841 7.640 1.00 0.00 N ATOM 361 CA THR A 24 8.609 -4.618 8.575 1.00 0.00 C ATOM 362 C THR A 24 8.405 -6.092 8.144 1.00 0.00 C ATOM 363 O THR A 24 9.215 -6.717 7.495 1.00 0.00 O ATOM 364 CB THR A 24 8.230 -4.381 10.032 1.00 0.00 C ATOM 365 OG1 THR A 24 8.630 -3.131 10.548 1.00 0.00 O ATOM 366 CG2 THR A 24 8.788 -5.444 10.982 1.00 0.00 C ATOM 0 H THR A 24 7.215 -4.401 7.034 1.00 0.00 H new ATOM 0 HA THR A 24 9.658 -4.323 8.536 1.00 0.00 H new ATOM 0 HB THR A 24 7.142 -4.425 9.995 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.943 -2.560 9.816 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.482 -5.216 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.404 -6.424 10.698 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.876 -5.450 10.922 1.00 0.00 H new ATOM 374 N ILE A 25 7.245 -6.520 8.595 1.00 0.00 N ATOM 375 CA ILE A 25 6.825 -7.872 8.328 1.00 0.00 C ATOM 376 C ILE A 25 7.611 -8.850 9.189 1.00 0.00 C ATOM 377 O ILE A 25 8.725 -8.548 9.537 1.00 0.00 O ATOM 378 CB ILE A 25 6.926 -8.134 6.825 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.553 -6.954 5.946 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.058 -9.338 6.385 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.730 -6.367 5.146 1.00 0.00 C ATOM 0 H ILE A 25 6.588 -5.960 9.139 1.00 0.00 H new ATOM 0 HA ILE A 25 5.781 -8.021 8.605 1.00 0.00 H new ATOM 0 HB ILE A 25 7.986 -8.342 6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.774 -7.266 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.126 -6.170 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.161 -9.487 5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.388 -10.235 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.013 -9.141 6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.379 -5.529 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.502 -6.022 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.144 -7.134 4.492 1.00 0.00 H new ATOM 393 N THR A 26 7.025 -9.994 9.515 1.00 0.00 N ATOM 394 CA THR A 26 7.733 -10.941 10.326 1.00 0.00 C ATOM 395 C THR A 26 6.949 -12.278 10.246 1.00 0.00 C ATOM 396 O THR A 26 6.315 -12.658 11.210 1.00 0.00 O ATOM 397 CB THR A 26 7.796 -10.578 11.803 1.00 0.00 C ATOM 398 OG1 THR A 26 8.111 -9.251 12.082 1.00 0.00 O ATOM 399 CG2 THR A 26 8.766 -11.528 12.565 1.00 0.00 C ATOM 0 H THR A 26 6.085 -10.273 9.233 1.00 0.00 H new ATOM 0 HA THR A 26 8.755 -10.981 9.949 1.00 0.00 H new ATOM 0 HB THR A 26 6.774 -10.710 12.158 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.126 -9.115 13.052 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.795 -11.250 13.618 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.417 -12.556 12.471 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.766 -11.444 12.140 1.00 0.00 H new ATOM 407 N GLN A 27 7.122 -12.810 9.032 1.00 0.00 N ATOM 408 CA GLN A 27 6.442 -14.056 8.828 1.00 0.00 C ATOM 409 C GLN A 27 6.662 -15.090 9.946 1.00 0.00 C ATOM 410 O GLN A 27 7.790 -15.387 10.248 1.00 0.00 O ATOM 411 CB GLN A 27 6.882 -14.650 7.477 1.00 0.00 C ATOM 412 CG GLN A 27 8.317 -15.147 7.439 1.00 0.00 C ATOM 413 CD GLN A 27 9.303 -14.082 7.852 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.480 -13.039 7.226 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.941 -14.435 8.971 1.00 0.00 N ATOM 0 H GLN A 27 7.671 -12.434 8.259 1.00 0.00 H new ATOM 0 HA GLN A 27 5.375 -13.833 8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.219 -15.478 7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.754 -13.893 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.418 -16.008 8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.555 -15.488 6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.726 -15.324 9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.643 -13.815 9.375 1.00 0.00 H new ATOM 424 N GLU A 28 5.469 -15.525 10.446 1.00 0.00 N ATOM 425 CA GLU A 28 5.505 -16.526 11.536 1.00 0.00 C ATOM 426 C GLU A 28 5.527 -17.869 10.783 1.00 0.00 C ATOM 427 O GLU A 28 6.581 -18.056 10.142 1.00 0.00 O ATOM 428 CB GLU A 28 4.276 -16.288 12.393 1.00 0.00 C ATOM 429 CG GLU A 28 4.484 -15.196 13.461 1.00 0.00 C ATOM 430 CD GLU A 28 5.819 -15.400 14.187 1.00 0.00 C ATOM 431 OE1 GLU A 28 5.999 -16.469 14.755 1.00 0.00 O ATOM 432 OE2 GLU A 28 6.613 -14.460 14.148 1.00 0.00 O ATOM 0 H GLU A 28 4.544 -15.224 10.138 1.00 0.00 H new ATOM 0 HA GLU A 28 6.353 -16.486 12.219 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.442 -16.005 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.998 -17.220 12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.465 -14.212 12.992 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.665 -15.222 14.180 1.00 0.00 H new ATOM 439 N GLY A 29 4.446 -18.641 10.896 1.00 0.00 N ATOM 440 CA GLY A 29 4.522 -19.903 10.156 1.00 0.00 C ATOM 441 C GLY A 29 3.387 -19.685 9.102 1.00 0.00 C ATOM 442 O GLY A 29 2.227 -19.840 9.407 1.00 0.00 O ATOM 0 H GLY A 29 3.597 -18.451 11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.496 -20.053 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.336 -20.768 10.792 1.00 0.00 H new ATOM 446 N ASN A 30 3.888 -19.327 7.909 1.00 0.00 N ATOM 447 CA ASN A 30 3.028 -19.076 6.802 1.00 0.00 C ATOM 448 C ASN A 30 2.013 -18.000 7.189 1.00 0.00 C ATOM 449 O ASN A 30 0.830 -18.155 6.868 1.00 0.00 O ATOM 450 CB ASN A 30 2.180 -20.311 6.436 1.00 0.00 C ATOM 451 CG ASN A 30 2.993 -21.572 6.255 1.00 0.00 C ATOM 452 OD1 ASN A 30 2.605 -22.618 6.810 1.00 0.00 O ATOM 453 ND2 ASN A 30 4.090 -21.503 5.506 1.00 0.00 N ATOM 0 H ASN A 30 4.882 -19.212 7.713 1.00 0.00 H new ATOM 0 HA ASN A 30 3.669 -18.789 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.438 -20.476 7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.633 -20.106 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.662 -22.335 5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.359 -20.618 5.076 1.00 0.00 H new ATOM 460 N LYS A 31 2.509 -16.960 7.857 1.00 0.00 N ATOM 461 CA LYS A 31 1.464 -15.986 8.171 1.00 0.00 C ATOM 462 C LYS A 31 2.354 -14.727 8.308 1.00 0.00 C ATOM 463 O LYS A 31 3.164 -14.811 9.238 1.00 0.00 O ATOM 464 CB LYS A 31 0.744 -16.286 9.436 1.00 0.00 C ATOM 465 CG LYS A 31 0.072 -14.988 9.959 1.00 0.00 C ATOM 466 CD LYS A 31 -1.275 -15.288 10.556 1.00 0.00 C ATOM 467 CE LYS A 31 -1.064 -16.247 11.723 1.00 0.00 C ATOM 468 NZ LYS A 31 -2.202 -16.389 12.663 1.00 0.00 N ATOM 0 H LYS A 31 3.468 -16.779 8.153 1.00 0.00 H new ATOM 0 HA LYS A 31 0.655 -15.931 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.008 -17.057 9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.438 -16.676 10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.710 -14.519 10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.038 -14.275 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.755 -14.371 10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.933 -15.733 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.827 -17.232 11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.192 -15.915 12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.950 -17.062 13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.420 -15.464 13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.035 -16.740 12.149 1.00 0.00 H new ATOM 482 N PHE A 32 2.143 -13.755 7.448 1.00 0.00 N ATOM 483 CA PHE A 32 3.016 -12.584 7.629 1.00 0.00 C ATOM 484 C PHE A 32 1.922 -11.508 7.677 1.00 0.00 C ATOM 485 O PHE A 32 0.809 -11.839 7.382 1.00 0.00 O ATOM 486 CB PHE A 32 4.056 -12.355 6.583 1.00 0.00 C ATOM 487 CG PHE A 32 3.437 -12.503 5.193 1.00 0.00 C ATOM 488 CD1 PHE A 32 2.902 -13.694 4.755 1.00 0.00 C ATOM 489 CD2 PHE A 32 3.361 -11.489 4.289 1.00 0.00 C ATOM 490 CE1 PHE A 32 2.338 -13.838 3.500 1.00 0.00 C ATOM 491 CE2 PHE A 32 2.784 -11.693 3.043 1.00 0.00 C ATOM 492 CZ PHE A 32 2.281 -12.933 2.713 1.00 0.00 C ATOM 0 H PHE A 32 1.459 -13.728 6.692 1.00 0.00 H new ATOM 0 HA PHE A 32 3.679 -12.648 8.492 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.485 -11.359 6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.871 -13.068 6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.924 -14.548 5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.754 -10.516 4.543 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.934 -14.799 3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.729 -10.881 2.333 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.834 -13.091 1.743 1.00 0.00 H new ATOM 502 N THR A 33 2.472 -10.359 8.060 1.00 0.00 N ATOM 503 CA THR A 33 1.547 -9.231 8.158 1.00 0.00 C ATOM 504 C THR A 33 2.408 -8.151 7.588 1.00 0.00 C ATOM 505 O THR A 33 3.579 -8.033 7.990 1.00 0.00 O ATOM 506 CB THR A 33 1.157 -9.048 9.602 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.160 -8.483 9.627 1.00 0.00 O ATOM 508 CG2 THR A 33 1.989 -8.034 10.322 1.00 0.00 C ATOM 0 H THR A 33 3.451 -10.187 8.288 1.00 0.00 H new ATOM 0 HA THR A 33 0.589 -9.304 7.644 1.00 0.00 H new ATOM 0 HB THR A 33 1.264 -10.025 10.074 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.158 -7.627 9.151 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.652 -7.955 11.356 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.034 -8.342 10.304 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.887 -7.066 9.832 1.00 0.00 H new ATOM 516 N VAL A 34 1.862 -7.377 6.676 1.00 0.00 N ATOM 517 CA VAL A 34 2.766 -6.325 6.149 1.00 0.00 C ATOM 518 C VAL A 34 2.432 -5.200 7.101 1.00 0.00 C ATOM 519 O VAL A 34 1.313 -4.879 7.431 1.00 0.00 O ATOM 520 CB VAL A 34 2.302 -6.239 4.717 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.427 -4.907 4.012 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.069 -7.251 3.842 1.00 0.00 C ATOM 0 H VAL A 34 0.913 -7.422 6.305 1.00 0.00 H new ATOM 0 HA VAL A 34 3.852 -6.413 6.115 1.00 0.00 H new ATOM 0 HB VAL A 34 1.235 -6.440 4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.054 -4.999 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.843 -4.157 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.474 -4.604 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.723 -7.177 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.136 -7.032 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.891 -8.261 4.213 1.00 0.00 H new ATOM 532 N LYS A 35 3.595 -4.625 7.517 1.00 0.00 N ATOM 533 CA LYS A 35 3.597 -3.536 8.420 1.00 0.00 C ATOM 534 C LYS A 35 3.068 -2.187 7.957 1.00 0.00 C ATOM 535 O LYS A 35 2.849 -1.258 8.681 1.00 0.00 O ATOM 536 CB LYS A 35 4.998 -3.443 9.108 1.00 0.00 C ATOM 537 CG LYS A 35 5.226 -2.223 10.000 1.00 0.00 C ATOM 538 CD LYS A 35 6.024 -2.378 11.289 1.00 0.00 C ATOM 539 CE LYS A 35 5.194 -2.110 12.572 1.00 0.00 C ATOM 540 NZ LYS A 35 5.213 -0.686 12.925 1.00 0.00 N ATOM 0 H LYS A 35 4.522 -4.928 7.217 1.00 0.00 H new ATOM 0 HA LYS A 35 2.816 -3.788 9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.146 -4.340 9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.763 -3.449 8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.724 -1.465 9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.247 -1.825 10.267 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.431 -3.388 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.872 -1.693 11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.165 -2.436 12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.595 -2.698 13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.463 -0.490 13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.137 -0.443 13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.053 -0.114 12.071 1.00 0.00 H new ATOM 554 N GLU A 36 2.880 -2.201 6.623 1.00 0.00 N ATOM 555 CA GLU A 36 2.398 -1.115 5.823 1.00 0.00 C ATOM 556 C GLU A 36 1.383 -0.288 6.610 1.00 0.00 C ATOM 557 O GLU A 36 0.161 -0.474 6.511 1.00 0.00 O ATOM 558 CB GLU A 36 1.574 -1.748 4.669 1.00 0.00 C ATOM 559 CG GLU A 36 0.817 -0.702 3.807 1.00 0.00 C ATOM 560 CD GLU A 36 1.514 0.646 3.908 1.00 0.00 C ATOM 561 OE1 GLU A 36 2.678 0.760 3.590 1.00 0.00 O ATOM 562 OE2 GLU A 36 0.881 1.626 4.323 1.00 0.00 O ATOM 0 H GLU A 36 3.080 -3.031 6.065 1.00 0.00 H new ATOM 0 HA GLU A 36 3.240 -0.503 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.243 -2.322 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.855 -2.451 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.784 -1.028 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.215 -0.615 4.147 1.00 0.00 H new ATOM 569 N SER A 37 1.931 0.646 7.411 1.00 0.00 N ATOM 570 CA SER A 37 1.005 1.452 8.197 1.00 0.00 C ATOM 571 C SER A 37 0.478 2.544 7.318 1.00 0.00 C ATOM 572 O SER A 37 1.277 3.188 6.649 1.00 0.00 O ATOM 573 CB SER A 37 1.819 1.917 9.413 1.00 0.00 C ATOM 574 OG SER A 37 3.176 1.933 9.044 1.00 0.00 O ATOM 0 H SER A 37 2.925 0.845 7.522 1.00 0.00 H new ATOM 0 HA SER A 37 0.120 0.931 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.498 2.909 9.730 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.661 1.246 10.257 1.00 0.00 H new ATOM 0 HG SER A 37 3.700 2.376 9.743 1.00 0.00 H new ATOM 580 N SER A 38 -0.862 2.729 7.342 1.00 0.00 N ATOM 581 CA SER A 38 -1.331 3.801 6.470 1.00 0.00 C ATOM 582 C SER A 38 -1.242 5.148 7.144 1.00 0.00 C ATOM 583 O SER A 38 -0.396 5.352 8.013 1.00 0.00 O ATOM 584 CB SER A 38 -2.759 3.351 6.083 1.00 0.00 C ATOM 585 OG SER A 38 -3.011 3.369 4.702 1.00 0.00 O ATOM 0 H SER A 38 -1.555 2.216 7.887 1.00 0.00 H new ATOM 0 HA SER A 38 -0.721 3.950 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.924 2.341 6.459 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.480 3.999 6.582 1.00 0.00 H new ATOM 0 HG SER A 38 -3.929 3.072 4.533 1.00 0.00 H new ATOM 591 N ASN A 39 -2.162 6.012 6.665 1.00 0.00 N ATOM 592 CA ASN A 39 -2.168 7.354 7.244 1.00 0.00 C ATOM 593 C ASN A 39 -3.404 7.504 8.111 1.00 0.00 C ATOM 594 O ASN A 39 -3.687 8.525 8.690 1.00 0.00 O ATOM 595 CB ASN A 39 -2.199 8.336 6.081 1.00 0.00 C ATOM 596 CG ASN A 39 -1.137 7.881 5.058 1.00 0.00 C ATOM 597 OD1 ASN A 39 -1.365 6.987 4.246 1.00 0.00 O ATOM 598 ND2 ASN A 39 0.036 8.561 5.156 1.00 0.00 N ATOM 0 H ASN A 39 -2.853 5.822 5.939 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.291 7.538 7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.188 8.356 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.988 9.347 6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.807 8.341 4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.145 9.291 5.860 1.00 0.00 H new ATOM 605 N PHE A 40 -4.090 6.353 8.113 1.00 0.00 N ATOM 606 CA PHE A 40 -5.295 6.271 8.880 1.00 0.00 C ATOM 607 C PHE A 40 -4.837 5.974 10.342 1.00 0.00 C ATOM 608 O PHE A 40 -5.179 6.722 11.237 1.00 0.00 O ATOM 609 CB PHE A 40 -6.187 5.137 8.358 1.00 0.00 C ATOM 610 CG PHE A 40 -6.808 5.376 7.016 1.00 0.00 C ATOM 611 CD1 PHE A 40 -6.138 5.091 5.855 1.00 0.00 C ATOM 612 CD2 PHE A 40 -8.058 5.889 6.847 1.00 0.00 C ATOM 613 CE1 PHE A 40 -6.688 5.306 4.615 1.00 0.00 C ATOM 614 CE2 PHE A 40 -8.535 6.079 5.568 1.00 0.00 C ATOM 615 CZ PHE A 40 -7.787 5.759 4.459 1.00 0.00 C ATOM 0 H PHE A 40 -3.828 5.507 7.606 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.879 7.189 8.816 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.593 4.224 8.308 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.983 4.961 9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.140 4.682 5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.666 6.143 7.702 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.104 5.056 3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.524 6.491 5.433 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.182 5.913 3.466 1.00 0.00 H new ATOM 625 N ARG A 41 -4.098 4.870 10.382 1.00 0.00 N ATOM 626 CA ARG A 41 -3.515 4.305 11.567 1.00 0.00 C ATOM 627 C ARG A 41 -2.627 3.105 11.260 1.00 0.00 C ATOM 628 O ARG A 41 -2.467 2.887 10.043 1.00 0.00 O ATOM 629 CB ARG A 41 -4.582 3.743 12.535 1.00 0.00 C ATOM 630 CG ARG A 41 -5.467 2.623 11.991 1.00 0.00 C ATOM 631 CD ARG A 41 -6.508 3.090 10.944 1.00 0.00 C ATOM 632 NE ARG A 41 -7.767 3.121 11.682 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.464 1.982 11.934 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.083 0.782 11.552 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.597 2.131 12.611 1.00 0.00 N ATOM 0 H ARG A 41 -3.887 4.329 9.543 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.955 5.132 12.004 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.075 3.375 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.225 4.565 12.850 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.832 1.860 11.541 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.991 2.152 12.823 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.257 4.072 10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.558 2.404 10.099 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.130 4.014 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.214 0.665 11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.657 -0.031 11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.895 3.060 12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.169 1.316 12.834 1.00 0.00 H new ATOM 649 N ASN A 42 -2.110 2.414 12.268 1.00 0.00 N ATOM 650 CA ASN A 42 -1.271 1.273 11.874 1.00 0.00 C ATOM 651 C ASN A 42 -2.308 0.126 11.797 1.00 0.00 C ATOM 652 O ASN A 42 -3.015 -0.113 12.769 1.00 0.00 O ATOM 653 CB ASN A 42 -0.137 0.971 12.825 1.00 0.00 C ATOM 654 CG ASN A 42 0.198 2.089 13.818 1.00 0.00 C ATOM 655 OD1 ASN A 42 0.716 3.170 13.554 1.00 0.00 O ATOM 656 ND2 ASN A 42 -0.156 1.731 15.070 1.00 0.00 N ATOM 0 H ASN A 42 -2.232 2.589 13.266 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.733 1.454 10.943 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.385 0.071 13.387 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.755 0.746 12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.004 2.371 15.848 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.584 0.821 15.238 1.00 0.00 H new ATOM 663 N ILE A 43 -2.279 -0.453 10.610 1.00 0.00 N ATOM 664 CA ILE A 43 -3.267 -1.541 10.439 1.00 0.00 C ATOM 665 C ILE A 43 -2.657 -2.648 9.635 1.00 0.00 C ATOM 666 O ILE A 43 -2.389 -2.741 8.443 1.00 0.00 O ATOM 667 CB ILE A 43 -4.429 -0.766 9.776 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.388 -1.602 8.954 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.853 0.164 8.671 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.629 -0.851 8.465 1.00 0.00 C ATOM 0 H ILE A 43 -1.667 -0.236 9.824 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.607 -2.064 11.333 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.931 -0.299 10.623 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.855 -1.998 8.090 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.708 -2.456 9.550 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.666 0.714 8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.150 0.867 9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.338 -0.437 7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.258 -1.527 7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.190 -0.478 9.322 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.324 -0.013 7.839 1.00 0.00 H new ATOM 682 N ASP A 44 -2.400 -3.683 10.499 1.00 0.00 N ATOM 683 CA ASP A 44 -1.809 -4.867 9.958 1.00 0.00 C ATOM 684 C ASP A 44 -2.795 -5.545 9.021 1.00 0.00 C ATOM 685 O ASP A 44 -3.917 -5.835 9.432 1.00 0.00 O ATOM 686 CB ASP A 44 -1.577 -5.904 11.079 1.00 0.00 C ATOM 687 CG ASP A 44 -2.652 -5.951 12.140 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.626 -6.701 11.987 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.509 -5.218 13.140 1.00 0.00 O ATOM 0 H ASP A 44 -2.592 -3.690 11.501 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.883 -4.573 9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.491 -6.892 10.627 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.623 -5.689 11.560 1.00 0.00 H new ATOM 694 N VAL A 45 -2.240 -5.728 7.818 1.00 0.00 N ATOM 695 CA VAL A 45 -3.112 -6.381 6.824 1.00 0.00 C ATOM 696 C VAL A 45 -2.736 -7.858 7.062 1.00 0.00 C ATOM 697 O VAL A 45 -2.185 -8.446 6.172 1.00 0.00 O ATOM 698 CB VAL A 45 -2.910 -5.830 5.457 1.00 0.00 C ATOM 699 CG1 VAL A 45 -1.555 -6.099 4.756 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.937 -6.436 4.456 1.00 0.00 C ATOM 0 H VAL A 45 -1.298 -5.469 7.524 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.186 -6.221 6.924 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.001 -4.763 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.558 -5.636 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.746 -5.677 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.406 -7.174 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.769 -6.017 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.814 -7.518 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.949 -6.197 4.784 1.00 0.00 H new ATOM 710 N VAL A 46 -3.053 -8.379 8.254 1.00 0.00 N ATOM 711 CA VAL A 46 -2.639 -9.760 8.342 1.00 0.00 C ATOM 712 C VAL A 46 -3.464 -10.755 7.538 1.00 0.00 C ATOM 713 O VAL A 46 -4.579 -10.468 7.156 1.00 0.00 O ATOM 714 CB VAL A 46 -2.830 -10.096 9.828 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.260 -10.386 10.293 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.161 -11.408 10.298 1.00 0.00 C ATOM 0 H VAL A 46 -3.520 -7.943 9.049 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.629 -9.849 7.941 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.407 -9.176 10.232 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.258 -10.608 11.360 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.887 -9.515 10.105 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.654 -11.242 9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.354 -11.555 11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.571 -12.247 9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.086 -11.349 10.130 1.00 0.00 H new ATOM 726 N PHE A 47 -2.801 -11.888 7.350 1.00 0.00 N ATOM 727 CA PHE A 47 -3.437 -12.949 6.600 1.00 0.00 C ATOM 728 C PHE A 47 -2.579 -14.191 6.606 1.00 0.00 C ATOM 729 O PHE A 47 -1.785 -14.283 7.554 1.00 0.00 O ATOM 730 CB PHE A 47 -3.542 -12.522 5.120 1.00 0.00 C ATOM 731 CG PHE A 47 -2.271 -11.755 4.756 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.030 -12.354 4.870 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.244 -10.475 4.306 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.106 -11.659 4.549 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.057 -9.806 3.988 1.00 0.00 C ATOM 736 CZ PHE A 47 0.023 -10.356 4.106 1.00 0.00 C ATOM 0 H PHE A 47 -1.861 -12.088 7.693 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.410 -13.143 7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.656 -13.396 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.421 -11.897 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.956 -13.375 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.180 -9.949 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.071 -12.134 4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.099 -8.787 3.633 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.926 -9.817 3.861 1.00 0.00 H new ATOM 746 N GLU A 48 -2.686 -15.107 5.634 1.00 0.00 N ATOM 747 CA GLU A 48 -1.811 -16.258 5.720 1.00 0.00 C ATOM 748 C GLU A 48 -1.125 -16.450 4.331 1.00 0.00 C ATOM 749 O GLU A 48 -1.464 -15.667 3.469 1.00 0.00 O ATOM 750 CB GLU A 48 -2.749 -17.429 6.014 1.00 0.00 C ATOM 751 CG GLU A 48 -2.616 -17.867 7.455 1.00 0.00 C ATOM 752 CD GLU A 48 -3.543 -19.009 7.812 1.00 0.00 C ATOM 753 OE1 GLU A 48 -4.725 -19.021 7.546 1.00 0.00 O ATOM 754 OE2 GLU A 48 -3.009 -19.966 8.395 1.00 0.00 O ATOM 0 H GLU A 48 -3.323 -15.074 4.838 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.033 -16.164 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.779 -17.137 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.517 -18.263 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.586 -18.169 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.824 -17.019 8.108 1.00 0.00 H new ATOM 761 N LEU A 49 -0.265 -17.458 4.316 1.00 0.00 N ATOM 762 CA LEU A 49 0.472 -17.789 3.112 1.00 0.00 C ATOM 763 C LEU A 49 -0.192 -18.951 2.408 1.00 0.00 C ATOM 764 O LEU A 49 0.007 -20.121 2.663 1.00 0.00 O ATOM 765 CB LEU A 49 1.890 -18.118 3.601 1.00 0.00 C ATOM 766 CG LEU A 49 2.922 -17.347 2.801 1.00 0.00 C ATOM 767 CD1 LEU A 49 4.134 -16.822 3.596 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.614 -18.243 1.742 1.00 0.00 C ATOM 0 H LEU A 49 -0.063 -18.055 5.118 1.00 0.00 H new ATOM 0 HA LEU A 49 0.498 -16.981 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.982 -17.871 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.074 -19.188 3.507 1.00 0.00 H new ATOM 0 HG LEU A 49 2.317 -16.530 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.806 -16.287 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.790 -16.146 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.664 -17.661 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.346 -17.654 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.116 -19.073 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.867 -18.633 1.051 1.00 0.00 H new ATOM 780 N GLY A 50 -1.032 -18.554 1.466 1.00 0.00 N ATOM 781 CA GLY A 50 -1.803 -19.466 0.639 1.00 0.00 C ATOM 782 C GLY A 50 -3.153 -19.625 1.376 1.00 0.00 C ATOM 783 O GLY A 50 -3.464 -20.769 1.589 1.00 0.00 O ATOM 0 H GLY A 50 -1.200 -17.571 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.945 -19.065 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.297 -20.425 0.530 1.00 0.00 H new ATOM 787 N VAL A 51 -3.770 -18.498 1.668 1.00 0.00 N ATOM 788 CA VAL A 51 -5.038 -18.441 2.349 1.00 0.00 C ATOM 789 C VAL A 51 -5.928 -17.343 1.788 1.00 0.00 C ATOM 790 O VAL A 51 -5.500 -16.190 1.768 1.00 0.00 O ATOM 791 CB VAL A 51 -4.861 -18.311 3.871 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.111 -17.878 4.590 1.00 0.00 C ATOM 793 CG2 VAL A 51 -4.556 -19.715 4.447 1.00 0.00 C ATOM 0 H VAL A 51 -3.393 -17.580 1.432 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.545 -19.389 2.166 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.074 -17.571 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.910 -17.808 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.427 -16.904 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.902 -18.608 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.427 -19.645 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.384 -20.388 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.642 -20.102 3.997 1.00 0.00 H new ATOM 803 N ASP A 52 -7.122 -17.838 1.377 1.00 0.00 N ATOM 804 CA ASP A 52 -8.048 -16.848 0.821 1.00 0.00 C ATOM 805 C ASP A 52 -8.802 -16.198 1.995 1.00 0.00 C ATOM 806 O ASP A 52 -8.844 -16.763 3.077 1.00 0.00 O ATOM 807 CB ASP A 52 -8.971 -17.386 -0.251 1.00 0.00 C ATOM 808 CG ASP A 52 -9.415 -18.833 -0.004 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.573 -19.226 1.150 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.597 -19.530 -0.994 1.00 0.00 O ATOM 0 H ASP A 52 -7.435 -18.808 1.414 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.470 -16.095 0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.853 -16.749 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.467 -17.328 -1.216 1.00 0.00 H new ATOM 815 N PHE A 53 -9.323 -15.018 1.598 1.00 0.00 N ATOM 816 CA PHE A 53 -10.051 -14.274 2.583 1.00 0.00 C ATOM 817 C PHE A 53 -10.686 -12.989 2.113 1.00 0.00 C ATOM 818 O PHE A 53 -10.538 -12.607 0.962 1.00 0.00 O ATOM 819 CB PHE A 53 -9.157 -13.935 3.816 1.00 0.00 C ATOM 820 CG PHE A 53 -8.003 -13.055 3.412 1.00 0.00 C ATOM 821 CD1 PHE A 53 -6.807 -13.584 2.964 1.00 0.00 C ATOM 822 CD2 PHE A 53 -8.066 -11.678 3.458 1.00 0.00 C ATOM 823 CE1 PHE A 53 -5.739 -12.821 2.584 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.926 -10.974 3.052 1.00 0.00 C ATOM 825 CZ PHE A 53 -5.889 -11.438 2.663 1.00 0.00 C ATOM 0 H PHE A 53 -9.251 -14.604 0.669 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.865 -14.952 2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.754 -13.433 4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.780 -14.855 4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.712 -14.658 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.956 -11.165 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.820 -13.270 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.986 -9.896 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.077 -10.787 2.376 1.00 0.00 H new ATOM 835 N ALA A 54 -11.406 -12.306 2.997 1.00 0.00 N ATOM 836 CA ALA A 54 -12.065 -11.042 2.637 1.00 0.00 C ATOM 837 C ALA A 54 -11.638 -10.119 3.801 1.00 0.00 C ATOM 838 O ALA A 54 -11.717 -10.600 4.908 1.00 0.00 O ATOM 839 CB ALA A 54 -13.566 -11.234 2.559 1.00 0.00 C ATOM 0 H ALA A 54 -11.551 -12.599 3.963 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.791 -10.641 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.040 -10.290 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.798 -11.984 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.941 -11.567 3.527 1.00 0.00 H new ATOM 845 N TYR A 55 -11.235 -8.910 3.469 1.00 0.00 N ATOM 846 CA TYR A 55 -10.818 -8.015 4.554 1.00 0.00 C ATOM 847 C TYR A 55 -11.550 -6.697 4.569 1.00 0.00 C ATOM 848 O TYR A 55 -12.653 -6.587 4.100 1.00 0.00 O ATOM 849 CB TYR A 55 -9.294 -7.818 4.440 1.00 0.00 C ATOM 850 CG TYR A 55 -8.579 -7.866 5.754 1.00 0.00 C ATOM 851 CD1 TYR A 55 -9.135 -7.675 6.978 1.00 0.00 C ATOM 852 CD2 TYR A 55 -7.201 -8.130 5.831 1.00 0.00 C ATOM 853 CE1 TYR A 55 -8.430 -7.728 8.166 1.00 0.00 C ATOM 854 CE2 TYR A 55 -6.561 -8.170 7.050 1.00 0.00 C ATOM 855 CZ TYR A 55 -7.254 -7.954 8.209 1.00 0.00 C ATOM 856 OH TYR A 55 -6.632 -7.985 9.417 1.00 0.00 O ATOM 0 H TYR A 55 -11.184 -8.531 2.523 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.078 -8.479 5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.885 -8.588 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.096 -6.858 3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.194 -7.469 7.026 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.638 -8.303 4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.960 -7.559 9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.501 -8.374 7.091 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.265 -8.281 10.104 1.00 0.00 H new ATOM 866 N SER A 56 -10.854 -5.723 5.139 1.00 0.00 N ATOM 867 CA SER A 56 -11.533 -4.419 5.176 1.00 0.00 C ATOM 868 C SER A 56 -10.451 -3.463 5.717 1.00 0.00 C ATOM 869 O SER A 56 -10.355 -3.272 6.932 1.00 0.00 O ATOM 870 CB SER A 56 -12.767 -4.571 6.049 1.00 0.00 C ATOM 871 OG SER A 56 -12.892 -3.628 7.074 1.00 0.00 O ATOM 0 H SER A 56 -9.920 -5.783 5.544 1.00 0.00 H new ATOM 0 HA SER A 56 -11.903 -4.032 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.651 -4.513 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.758 -5.567 6.492 1.00 0.00 H new ATOM 0 HG SER A 56 -12.025 -3.506 7.514 1.00 0.00 H new ATOM 877 N LEU A 57 -9.712 -2.923 4.769 1.00 0.00 N ATOM 878 CA LEU A 57 -8.643 -1.988 5.092 1.00 0.00 C ATOM 879 C LEU A 57 -9.202 -0.581 5.279 1.00 0.00 C ATOM 880 O LEU A 57 -10.374 -0.424 4.961 1.00 0.00 O ATOM 881 CB LEU A 57 -7.550 -1.998 4.032 1.00 0.00 C ATOM 882 CG LEU A 57 -6.470 -3.036 4.365 1.00 0.00 C ATOM 883 CD1 LEU A 57 -5.592 -3.347 3.166 1.00 0.00 C ATOM 884 CD2 LEU A 57 -5.505 -2.538 5.423 1.00 0.00 C ATOM 0 H LEU A 57 -9.827 -3.111 3.773 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.192 -2.311 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.985 -2.221 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.099 -1.008 3.961 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.028 -3.910 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.842 -4.086 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.207 -3.743 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.096 -2.436 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.759 -3.306 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.009 -1.635 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.053 -2.314 6.338 1.00 0.00 H new ATOM 896 N ALA A 58 -8.397 0.347 5.759 1.00 0.00 N ATOM 897 CA ALA A 58 -8.911 1.700 5.943 1.00 0.00 C ATOM 898 C ALA A 58 -10.232 1.750 6.690 1.00 0.00 C ATOM 899 O ALA A 58 -10.451 0.982 7.649 1.00 0.00 O ATOM 900 CB ALA A 58 -9.071 2.256 4.523 1.00 0.00 C ATOM 0 H ALA A 58 -7.422 0.204 6.021 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.227 2.284 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.455 3.275 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.103 2.257 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.769 1.632 3.964 1.00 0.00 H new ATOM 906 N ASP A 59 -11.174 2.652 6.285 1.00 0.00 N ATOM 907 CA ASP A 59 -12.460 2.714 6.991 1.00 0.00 C ATOM 908 C ASP A 59 -13.140 1.360 6.954 1.00 0.00 C ATOM 909 O ASP A 59 -13.920 1.072 7.835 1.00 0.00 O ATOM 910 CB ASP A 59 -13.362 3.776 6.369 1.00 0.00 C ATOM 911 CG ASP A 59 -14.102 3.282 5.131 1.00 0.00 C ATOM 912 OD1 ASP A 59 -15.178 2.751 5.268 1.00 0.00 O ATOM 913 OD2 ASP A 59 -13.563 3.456 4.043 1.00 0.00 O ATOM 0 H ASP A 59 -11.065 3.309 5.512 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.273 2.987 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.088 4.107 7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.760 4.645 6.103 1.00 0.00 H new ATOM 918 N GLY A 60 -12.807 0.556 5.908 1.00 0.00 N ATOM 919 CA GLY A 60 -13.371 -0.748 5.746 1.00 0.00 C ATOM 920 C GLY A 60 -13.634 -1.023 4.239 1.00 0.00 C ATOM 921 O GLY A 60 -14.819 -1.032 3.881 1.00 0.00 O ATOM 0 H GLY A 60 -12.145 0.820 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.693 -1.500 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.302 -0.824 6.307 1.00 0.00 H new ATOM 925 N THR A 61 -12.496 -1.206 3.583 1.00 0.00 N ATOM 926 CA THR A 61 -12.491 -1.496 2.157 1.00 0.00 C ATOM 927 C THR A 61 -12.962 -2.962 1.981 1.00 0.00 C ATOM 928 O THR A 61 -13.963 -3.266 2.643 1.00 0.00 O ATOM 929 CB THR A 61 -11.134 -1.187 1.530 1.00 0.00 C ATOM 930 OG1 THR A 61 -10.088 -1.950 2.075 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.743 0.304 1.552 1.00 0.00 C ATOM 0 H THR A 61 -11.572 -1.159 4.012 1.00 0.00 H new ATOM 0 HA THR A 61 -13.182 -0.850 1.616 1.00 0.00 H new ATOM 0 HB THR A 61 -11.274 -1.471 0.487 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.230 -1.614 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.766 0.431 1.087 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.485 0.883 1.002 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.702 0.654 2.583 1.00 0.00 H new ATOM 939 N GLU A 62 -12.284 -3.758 1.162 1.00 0.00 N ATOM 940 CA GLU A 62 -12.850 -5.118 1.105 1.00 0.00 C ATOM 941 C GLU A 62 -11.622 -6.025 0.897 1.00 0.00 C ATOM 942 O GLU A 62 -11.347 -6.867 1.755 1.00 0.00 O ATOM 943 CB GLU A 62 -13.837 -5.187 -0.023 1.00 0.00 C ATOM 944 CG GLU A 62 -15.329 -5.176 0.396 1.00 0.00 C ATOM 945 CD GLU A 62 -16.062 -4.280 -0.585 1.00 0.00 C ATOM 946 OE1 GLU A 62 -15.753 -3.087 -0.714 1.00 0.00 O ATOM 947 OE2 GLU A 62 -16.954 -4.791 -1.234 1.00 0.00 O ATOM 0 H GLU A 62 -11.461 -3.544 0.600 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.400 -5.421 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.659 -4.344 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.645 -6.094 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.741 -6.185 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.440 -4.804 1.415 1.00 0.00 H new ATOM 954 N LEU A 63 -11.015 -5.715 -0.264 1.00 0.00 N ATOM 955 CA LEU A 63 -9.827 -6.444 -0.655 1.00 0.00 C ATOM 956 C LEU A 63 -9.978 -7.927 -0.397 1.00 0.00 C ATOM 957 O LEU A 63 -9.365 -8.492 0.485 1.00 0.00 O ATOM 958 CB LEU A 63 -8.614 -5.891 0.110 1.00 0.00 C ATOM 959 CG LEU A 63 -7.955 -4.700 -0.599 1.00 0.00 C ATOM 960 CD1 LEU A 63 -8.515 -3.414 -0.025 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.459 -4.628 -0.346 1.00 0.00 C ATOM 0 H LEU A 63 -11.323 -4.992 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.677 -6.311 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.928 -5.585 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.878 -6.685 0.237 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.152 -4.827 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.053 -2.562 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.593 -3.385 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.303 -3.369 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.042 -3.768 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.275 -4.525 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.984 -5.539 -0.710 1.00 0.00 H new ATOM 973 N THR A 64 -10.830 -8.564 -1.194 1.00 0.00 N ATOM 974 CA THR A 64 -11.146 -9.961 -1.142 1.00 0.00 C ATOM 975 C THR A 64 -10.146 -10.733 -2.024 1.00 0.00 C ATOM 976 O THR A 64 -10.093 -10.523 -3.230 1.00 0.00 O ATOM 977 CB THR A 64 -12.556 -10.202 -1.703 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.530 -9.500 -0.981 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.864 -11.679 -1.673 1.00 0.00 C ATOM 0 H THR A 64 -11.340 -8.078 -1.931 1.00 0.00 H new ATOM 0 HA THR A 64 -11.095 -10.298 -0.107 1.00 0.00 H new ATOM 0 HB THR A 64 -12.577 -9.836 -2.730 1.00 0.00 H new ATOM 0 HG1 THR A 64 -14.413 -9.676 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.864 -11.850 -2.071 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.135 -12.215 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.816 -12.040 -0.646 1.00 0.00 H new ATOM 987 N GLY A 65 -9.402 -11.596 -1.325 1.00 0.00 N ATOM 988 CA GLY A 65 -8.473 -12.305 -2.221 1.00 0.00 C ATOM 989 C GLY A 65 -7.597 -13.209 -1.357 1.00 0.00 C ATOM 990 O GLY A 65 -8.161 -13.808 -0.455 1.00 0.00 O ATOM 0 H GLY A 65 -9.403 -11.803 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.023 -12.893 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.860 -11.595 -2.776 1.00 0.00 H new ATOM 994 N THR A 66 -6.311 -13.211 -1.737 1.00 0.00 N ATOM 995 CA THR A 66 -5.373 -14.041 -1.015 1.00 0.00 C ATOM 996 C THR A 66 -3.906 -13.890 -1.373 1.00 0.00 C ATOM 997 O THR A 66 -3.613 -13.285 -2.405 1.00 0.00 O ATOM 998 CB THR A 66 -5.724 -15.464 -1.566 1.00 0.00 C ATOM 999 OG1 THR A 66 -5.189 -16.423 -0.746 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.082 -15.549 -2.983 1.00 0.00 C ATOM 0 H THR A 66 -5.921 -12.668 -2.508 1.00 0.00 H new ATOM 0 HA THR A 66 -5.464 -13.811 0.047 1.00 0.00 H new ATOM 0 HB THR A 66 -6.801 -15.626 -1.609 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.097 -16.064 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.294 -16.525 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.499 -14.768 -3.619 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.003 -15.414 -2.902 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.971 -14.433 -0.551 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.555 -14.320 -0.911 1.00 0.00 C ATOM 1010 C TRP A 67 -1.080 -15.807 -0.970 1.00 0.00 C ATOM 1011 O TRP A 67 -1.583 -16.576 -0.192 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.675 -13.585 0.046 1.00 0.00 C ATOM 1013 CG TRP A 67 -0.866 -12.102 -0.263 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -0.990 -11.192 0.785 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -0.960 -11.381 -1.517 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -1.150 -10.064 0.161 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -1.161 -10.030 -1.210 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -0.901 -11.698 -2.830 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -1.308 -9.129 -2.219 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.025 -10.784 -3.840 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -1.241 -9.464 -3.560 1.00 0.00 C ATOM 0 H TRP A 67 -3.167 -14.927 0.320 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.476 -13.739 -1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.948 -13.807 1.077 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.367 -13.879 -0.078 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -0.960 -11.378 1.848 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.268 -9.201 0.692 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.747 -12.733 -3.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -1.487 -8.096 -1.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.952 -11.108 -4.868 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -1.353 -8.725 -4.340 1.00 0.00 H new ATOM 1032 N THR A 68 -0.169 -15.901 -1.922 1.00 0.00 N ATOM 1033 CA THR A 68 0.530 -17.110 -2.312 1.00 0.00 C ATOM 1034 C THR A 68 2.031 -16.854 -2.524 1.00 0.00 C ATOM 1035 O THR A 68 2.589 -17.523 -3.378 1.00 0.00 O ATOM 1036 CB THR A 68 -0.046 -17.694 -3.572 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.466 -17.143 -4.767 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.597 -17.658 -3.600 1.00 0.00 C ATOM 0 H THR A 68 0.118 -15.092 -2.473 1.00 0.00 H new ATOM 0 HA THR A 68 0.401 -17.818 -1.494 1.00 0.00 H new ATOM 0 HB THR A 68 0.283 -18.733 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.677 -16.196 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.954 -18.093 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.989 -18.230 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.938 -16.625 -3.527 1.00 0.00 H new ATOM 1046 N MET A 69 2.410 -15.910 -1.688 1.00 0.00 N ATOM 1047 CA MET A 69 3.751 -15.369 -1.559 1.00 0.00 C ATOM 1048 C MET A 69 4.755 -16.466 -1.867 1.00 0.00 C ATOM 1049 O MET A 69 4.684 -17.591 -1.399 1.00 0.00 O ATOM 1050 CB MET A 69 3.921 -14.923 -0.078 1.00 0.00 C ATOM 1051 CG MET A 69 5.101 -13.967 0.062 1.00 0.00 C ATOM 1052 SD MET A 69 5.311 -13.451 1.768 1.00 0.00 S ATOM 1053 CE MET A 69 6.657 -14.529 2.207 1.00 0.00 C ATOM 0 H MET A 69 1.753 -15.473 -1.042 1.00 0.00 H new ATOM 0 HA MET A 69 3.909 -14.534 -2.241 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.009 -14.437 0.268 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.076 -15.797 0.555 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.011 -14.453 -0.289 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.942 -13.093 -0.569 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.631 -14.725 3.279 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.562 -15.469 1.663 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.603 -14.054 1.948 1.00 0.00 H new ATOM 1063 N GLU A 70 5.712 -16.032 -2.715 1.00 0.00 N ATOM 1064 CA GLU A 70 6.766 -16.949 -3.131 1.00 0.00 C ATOM 1065 C GLU A 70 8.086 -16.182 -3.204 1.00 0.00 C ATOM 1066 O GLU A 70 8.033 -15.061 -3.668 1.00 0.00 O ATOM 1067 CB GLU A 70 6.494 -17.435 -4.564 1.00 0.00 C ATOM 1068 CG GLU A 70 7.490 -18.457 -5.095 1.00 0.00 C ATOM 1069 CD GLU A 70 6.781 -19.815 -5.160 1.00 0.00 C ATOM 1070 OE1 GLU A 70 5.915 -19.926 -6.036 1.00 0.00 O ATOM 1071 OE2 GLU A 70 7.110 -20.694 -4.351 1.00 0.00 O ATOM 0 H GLU A 70 5.769 -15.091 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 70 6.803 -17.778 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.495 -17.870 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.491 -16.572 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.847 -18.165 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.363 -18.513 -4.445 1.00 0.00 H new ATOM 1078 N GLY A 71 9.083 -16.922 -2.729 1.00 0.00 N ATOM 1079 CA GLY A 71 10.428 -16.442 -2.685 1.00 0.00 C ATOM 1080 C GLY A 71 10.469 -14.917 -2.511 1.00 0.00 C ATOM 1081 O GLY A 71 10.342 -14.331 -1.444 1.00 0.00 O ATOM 0 H GLY A 71 8.964 -17.869 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.960 -16.919 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.946 -16.720 -3.603 1.00 0.00 H new ATOM 1085 N ASN A 72 10.663 -14.346 -3.719 1.00 0.00 N ATOM 1086 CA ASN A 72 10.741 -12.897 -3.841 1.00 0.00 C ATOM 1087 C ASN A 72 9.638 -12.326 -4.752 1.00 0.00 C ATOM 1088 O ASN A 72 10.016 -11.658 -5.712 1.00 0.00 O ATOM 1089 CB ASN A 72 12.151 -12.506 -4.289 1.00 0.00 C ATOM 1090 CG ASN A 72 12.397 -13.320 -5.555 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.718 -14.517 -5.503 1.00 0.00 O ATOM 1092 ND2 ASN A 72 12.242 -12.639 -6.692 1.00 0.00 N ATOM 0 H ASN A 72 10.765 -14.860 -4.594 1.00 0.00 H new ATOM 0 HA ASN A 72 10.556 -12.447 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 72 12.221 -11.436 -4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.889 -12.737 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.389 -13.103 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.976 -11.655 -6.665 1.00 0.00 H new ATOM 1099 N LYS A 73 8.381 -12.640 -4.369 1.00 0.00 N ATOM 1100 CA LYS A 73 7.253 -12.165 -5.147 1.00 0.00 C ATOM 1101 C LYS A 73 6.054 -11.918 -4.243 1.00 0.00 C ATOM 1102 O LYS A 73 6.171 -12.150 -3.021 1.00 0.00 O ATOM 1103 CB LYS A 73 6.921 -13.118 -6.286 1.00 0.00 C ATOM 1104 CG LYS A 73 7.973 -13.408 -7.344 1.00 0.00 C ATOM 1105 CD LYS A 73 7.367 -13.803 -8.694 1.00 0.00 C ATOM 1106 CE LYS A 73 7.184 -12.522 -9.536 1.00 0.00 C ATOM 1107 NZ LYS A 73 6.659 -12.798 -10.850 1.00 0.00 N ATOM 0 H LYS A 73 8.142 -13.202 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 73 7.527 -11.215 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.631 -14.071 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.042 -12.724 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.600 -12.526 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.622 -14.211 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.018 -14.508 -9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.409 -14.302 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.511 -11.841 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.143 -12.013 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.554 -11.907 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.312 -13.426 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.731 -13.260 -10.763 1.00 0.00 H new ATOM 1121 N LEU A 74 4.968 -11.477 -4.853 1.00 0.00 N ATOM 1122 CA LEU A 74 3.791 -11.229 -4.037 1.00 0.00 C ATOM 1123 C LEU A 74 2.513 -11.503 -4.766 1.00 0.00 C ATOM 1124 O LEU A 74 1.596 -10.715 -4.725 1.00 0.00 O ATOM 1125 CB LEU A 74 3.887 -9.797 -3.490 1.00 0.00 C ATOM 1126 CG LEU A 74 4.298 -9.875 -1.993 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.603 -8.503 -1.412 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.332 -10.608 -1.053 1.00 0.00 C ATOM 0 H LEU A 74 4.874 -11.292 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 74 3.769 -11.928 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.620 -9.222 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.931 -9.285 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 74 5.197 -10.490 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.886 -8.606 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.424 -8.048 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.719 -7.871 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.731 -10.594 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.362 -10.111 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.216 -11.640 -1.383 1.00 0.00 H new ATOM 1140 N VAL A 75 2.597 -12.691 -5.417 1.00 0.00 N ATOM 1141 CA VAL A 75 1.481 -13.154 -6.191 1.00 0.00 C ATOM 1142 C VAL A 75 0.318 -13.679 -5.331 1.00 0.00 C ATOM 1143 O VAL A 75 0.407 -14.478 -4.429 1.00 0.00 O ATOM 1144 CB VAL A 75 1.961 -14.198 -7.184 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.877 -14.766 -8.097 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.957 -13.556 -8.193 1.00 0.00 C ATOM 0 H VAL A 75 3.409 -13.308 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 75 1.072 -12.299 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 75 2.376 -14.980 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.317 -15.502 -8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.105 -15.242 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.434 -13.960 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.296 -14.312 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.459 -12.750 -8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.814 -13.155 -7.653 1.00 0.00 H new ATOM 1156 N GLY A 76 -0.781 -13.085 -5.775 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.103 -13.309 -5.218 1.00 0.00 C ATOM 1158 C GLY A 76 -2.901 -12.023 -5.614 1.00 0.00 C ATOM 1159 O GLY A 76 -2.601 -11.610 -6.724 1.00 0.00 O ATOM 0 H GLY A 76 -0.776 -12.420 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.563 -14.207 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.064 -13.438 -4.136 1.00 0.00 H new ATOM 1163 N LYS A 77 -3.755 -11.604 -4.666 1.00 0.00 N ATOM 1164 CA LYS A 77 -4.532 -10.432 -4.977 1.00 0.00 C ATOM 1165 C LYS A 77 -5.620 -10.198 -3.924 1.00 0.00 C ATOM 1166 O LYS A 77 -5.830 -11.112 -3.144 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.180 -10.677 -6.336 1.00 0.00 C ATOM 1168 CG LYS A 77 -6.679 -10.658 -6.343 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.357 -11.954 -6.791 1.00 0.00 C ATOM 1170 CE LYS A 77 -7.309 -12.073 -8.315 1.00 0.00 C ATOM 1171 NZ LYS A 77 -6.585 -13.286 -8.716 1.00 0.00 N ATOM 0 H LYS A 77 -3.908 -12.030 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.892 -9.549 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.820 -9.921 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.843 -11.643 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.026 -10.417 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.011 -9.851 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.859 -12.810 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.392 -11.969 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.323 -12.099 -8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.821 -11.195 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.563 -13.350 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.612 -13.246 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.067 -14.122 -8.328 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.161 -8.983 -4.096 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.264 -8.438 -3.324 1.00 0.00 C ATOM 1187 C PHE A 78 -7.928 -7.508 -4.348 1.00 0.00 C ATOM 1188 O PHE A 78 -7.404 -7.022 -5.308 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.836 -7.761 -2.076 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.772 -8.455 -1.311 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -6.088 -9.741 -0.883 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -4.539 -8.014 -0.983 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -5.237 -10.541 -0.194 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -3.708 -8.875 -0.269 1.00 0.00 C ATOM 1195 CZ PHE A 78 -3.989 -9.988 0.082 1.00 0.00 C ATOM 0 H PHE A 78 -5.822 -8.335 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.942 -9.195 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.486 -6.760 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.706 -7.642 -1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.071 -10.125 -1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.207 -7.026 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.508 -11.538 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.726 -8.509 -0.009 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.259 -10.572 0.623 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.205 -7.333 -3.970 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.149 -6.531 -4.669 1.00 0.00 C ATOM 1207 C LYS A 79 -11.267 -6.033 -3.767 1.00 0.00 C ATOM 1208 O LYS A 79 -11.803 -6.777 -2.984 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.767 -7.474 -5.748 1.00 0.00 C ATOM 1210 CG LYS A 79 -12.047 -6.911 -6.318 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.191 -6.933 -7.861 1.00 0.00 C ATOM 1212 CE LYS A 79 -11.844 -8.316 -8.435 1.00 0.00 C ATOM 1213 NZ LYS A 79 -12.461 -8.616 -9.724 1.00 0.00 N ATOM 0 H LYS A 79 -9.595 -7.773 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.659 -5.649 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.047 -7.627 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.964 -8.451 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.883 -7.465 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.144 -5.879 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.212 -6.668 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.537 -6.180 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.762 -8.389 -8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.147 -9.078 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.173 -9.566 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.496 -8.582 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.154 -7.914 -10.427 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.564 -4.736 -3.951 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.631 -4.143 -3.157 1.00 0.00 C ATOM 1229 C ARG A 80 -13.853 -3.947 -4.102 1.00 0.00 C ATOM 1230 O ARG A 80 -14.438 -2.864 -4.107 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.238 -2.882 -2.407 1.00 0.00 C ATOM 1232 CG ARG A 80 -11.597 -1.906 -3.378 1.00 0.00 C ATOM 1233 CD ARG A 80 -11.394 -0.553 -2.692 1.00 0.00 C ATOM 1234 NE ARG A 80 -12.674 -0.015 -2.294 1.00 0.00 N ATOM 1235 CZ ARG A 80 -12.843 1.127 -1.636 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -11.748 1.841 -1.314 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -14.061 1.533 -1.314 1.00 0.00 N ATOM 0 H ARG A 80 -11.101 -4.111 -4.611 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.887 -4.822 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.116 -2.431 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.543 -3.124 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.640 -2.297 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.228 -1.787 -4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.750 -0.669 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.892 0.138 -3.369 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.508 -0.550 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.822 1.501 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.844 2.722 -0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.871 0.969 -1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.189 2.410 -0.809 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.053 -5.078 -4.790 1.00 0.00 N ATOM 1252 CA VAL A 81 -15.069 -5.311 -5.764 1.00 0.00 C ATOM 1253 C VAL A 81 -16.103 -4.189 -5.927 1.00 0.00 C ATOM 1254 O VAL A 81 -16.278 -3.772 -7.054 1.00 0.00 O ATOM 1255 CB VAL A 81 -15.802 -6.594 -5.359 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -15.236 -7.812 -6.075 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -15.613 -6.960 -3.878 1.00 0.00 C ATOM 0 H VAL A 81 -13.457 -5.895 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 81 -14.564 -5.376 -6.728 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.842 -6.379 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -15.780 -8.703 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -15.340 -7.682 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -14.181 -7.924 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.158 -7.878 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.553 -7.109 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.994 -6.153 -3.252 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.682 -3.813 -4.803 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.675 -2.775 -4.765 1.00 0.00 C ATOM 1269 C ASP A 82 -17.361 -1.619 -5.693 1.00 0.00 C ATOM 1270 O ASP A 82 -18.365 -1.027 -6.137 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.696 -2.224 -3.308 1.00 0.00 C ATOM 1272 CG ASP A 82 -19.088 -1.820 -2.921 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -19.799 -1.070 -3.579 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -19.534 -2.276 -1.876 1.00 0.00 O ATOM 0 H ASP A 82 -16.472 -4.224 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.627 -3.199 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.327 -2.984 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.026 -1.368 -3.227 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.056 -1.367 -5.924 1.00 0.00 N ATOM 1280 CA ASN A 83 -15.731 -0.280 -6.777 1.00 0.00 C ATOM 1281 C ASN A 83 -14.235 0.007 -6.880 1.00 0.00 C ATOM 1282 O ASN A 83 -13.889 0.615 -7.906 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.313 1.042 -6.189 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.298 1.582 -5.189 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -15.032 0.775 -4.160 1.00 0.00 O flip ATOM 1286 ND2 ASN A 83 -14.749 2.667 -5.286 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.269 -1.889 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.134 -0.568 -7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.494 1.768 -6.982 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -17.270 0.857 -5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.959 3.276 -6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.079 2.965 -4.577 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.451 -0.407 -5.888 1.00 0.00 N ATOM 1294 CA GLY A 84 -12.016 -0.099 -6.042 1.00 0.00 C ATOM 1295 C GLY A 84 -11.617 -1.028 -7.198 1.00 0.00 C ATOM 1296 O GLY A 84 -11.046 -0.575 -8.167 1.00 0.00 O ATOM 0 H GLY A 84 -13.735 -0.907 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.847 0.950 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.452 -0.312 -5.134 1.00 0.00 H new ATOM 1300 N LYS A 85 -12.016 -2.271 -6.891 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.767 -3.307 -7.830 1.00 0.00 C ATOM 1302 C LYS A 85 -10.358 -3.707 -8.161 1.00 0.00 C ATOM 1303 O LYS A 85 -9.798 -2.939 -8.942 1.00 0.00 O ATOM 1304 CB LYS A 85 -12.408 -2.808 -9.167 1.00 0.00 C ATOM 1305 CG LYS A 85 -12.895 -4.035 -9.942 1.00 0.00 C ATOM 1306 CD LYS A 85 -14.050 -3.554 -10.823 1.00 0.00 C ATOM 1307 CE LYS A 85 -15.298 -4.438 -10.873 1.00 0.00 C ATOM 1308 NZ LYS A 85 -15.745 -4.545 -12.263 1.00 0.00 N ATOM 0 H LYS A 85 -12.490 -2.549 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.171 -4.202 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.238 -2.131 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.679 -2.250 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.093 -4.456 -10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.226 -4.819 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.349 -2.564 -10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.675 -3.438 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.077 -5.427 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.088 -4.012 -10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.594 -5.144 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.969 -3.598 -12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.990 -4.969 -12.839 1.00 0.00 H new ATOM 1322 N GLU A 86 -9.912 -4.826 -7.582 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.597 -5.311 -7.874 1.00 0.00 C ATOM 1324 C GLU A 86 -7.412 -4.571 -7.255 1.00 0.00 C ATOM 1325 O GLU A 86 -6.636 -4.075 -8.059 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.403 -5.394 -9.388 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.484 -6.154 -10.161 1.00 0.00 C ATOM 1328 CD GLU A 86 -8.934 -6.946 -11.338 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -7.751 -6.922 -11.624 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -9.768 -7.604 -11.962 1.00 0.00 O ATOM 0 H GLU A 86 -10.446 -5.391 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.577 -6.287 -7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.346 -4.380 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.441 -5.868 -9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.997 -6.834 -9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.228 -5.445 -10.524 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.382 -4.578 -5.943 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.274 -3.921 -5.238 1.00 0.00 C ATOM 1339 C LEU A 87 -5.244 -4.972 -4.857 1.00 0.00 C ATOM 1340 O LEU A 87 -4.923 -5.238 -3.733 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.779 -3.057 -4.083 1.00 0.00 C ATOM 1342 CG LEU A 87 -7.943 -2.119 -4.529 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -8.504 -1.524 -3.205 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -7.555 -1.014 -5.477 1.00 0.00 C ATOM 0 H LEU A 87 -8.083 -5.014 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.769 -3.210 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.120 -3.699 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.958 -2.457 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.668 -2.699 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.330 -0.850 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.859 -2.332 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.716 -0.973 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.435 -0.421 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.808 -0.375 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.140 -1.445 -6.388 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.795 -5.514 -5.990 1.00 0.00 N ATOM 1357 CA ILE A 88 -3.787 -6.570 -5.952 1.00 0.00 C ATOM 1358 C ILE A 88 -2.489 -5.852 -5.488 1.00 0.00 C ATOM 1359 O ILE A 88 -2.578 -4.680 -5.151 1.00 0.00 O ATOM 1360 CB ILE A 88 -3.780 -7.121 -7.357 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.213 -7.612 -7.701 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -2.853 -8.270 -7.726 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.381 -8.432 -8.981 1.00 0.00 C ATOM 0 H ILE A 88 -5.105 -5.246 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.940 -7.411 -5.276 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.397 -6.270 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.575 -8.211 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.862 -6.739 -7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.991 -8.526 -8.776 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.818 -7.971 -7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.084 -9.137 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.428 -8.710 -9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.063 -7.838 -9.838 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.772 -9.334 -8.918 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.407 -6.613 -5.512 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.098 -6.105 -5.101 1.00 0.00 C ATOM 1377 C ALA A 89 0.902 -6.928 -5.850 1.00 0.00 C ATOM 1378 O ALA A 89 1.762 -7.493 -5.240 1.00 0.00 O ATOM 1379 CB ALA A 89 0.005 -6.242 -3.560 1.00 0.00 C ATOM 0 H ALA A 89 -1.404 -7.588 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 89 0.073 -5.053 -5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.973 -5.870 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.789 -5.662 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.097 -7.291 -3.280 1.00 0.00 H new ATOM 1385 N VAL A 90 0.639 -6.885 -7.161 1.00 0.00 N ATOM 1386 CA VAL A 90 1.506 -7.618 -8.024 1.00 0.00 C ATOM 1387 C VAL A 90 2.903 -7.023 -7.722 1.00 0.00 C ATOM 1388 O VAL A 90 3.179 -5.850 -8.021 1.00 0.00 O ATOM 1389 CB VAL A 90 1.302 -7.326 -9.498 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.605 -7.415 -10.315 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.381 -8.313 -10.212 1.00 0.00 C ATOM 0 H VAL A 90 -0.125 -6.377 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 90 1.350 -8.684 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 90 0.879 -6.322 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.394 -7.196 -11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.325 -6.692 -9.931 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.019 -8.420 -10.231 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.289 -8.032 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.799 -9.317 -10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.603 -8.296 -9.744 1.00 0.00 H new ATOM 1401 N ARG A 91 3.717 -7.913 -7.129 1.00 0.00 N ATOM 1402 CA ARG A 91 5.013 -7.396 -6.839 1.00 0.00 C ATOM 1403 C ARG A 91 6.035 -8.464 -6.593 1.00 0.00 C ATOM 1404 O ARG A 91 5.717 -9.582 -6.345 1.00 0.00 O ATOM 1405 CB ARG A 91 4.992 -6.511 -5.577 1.00 0.00 C ATOM 1406 CG ARG A 91 6.176 -5.580 -5.459 1.00 0.00 C ATOM 1407 CD ARG A 91 6.473 -4.723 -6.699 1.00 0.00 C ATOM 1408 NE ARG A 91 7.649 -5.183 -7.411 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.664 -5.405 -8.734 1.00 0.00 C ATOM 1410 NH1 ARG A 91 6.614 -5.222 -9.528 1.00 0.00 N ATOM 1411 NH2 ARG A 91 8.787 -5.842 -9.311 1.00 0.00 N ATOM 0 H ARG A 91 3.515 -8.880 -6.875 1.00 0.00 H new ATOM 0 HA ARG A 91 5.287 -6.825 -7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.076 -5.920 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.958 -7.153 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.010 -4.915 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.061 -6.174 -5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.613 -4.744 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.616 -3.686 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 91 8.505 -5.346 -6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.731 -4.894 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.692 -5.410 -10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.621 -6.003 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.810 -6.014 -10.316 1.00 0.00 H new ATOM 1425 N GLU A 92 7.247 -7.894 -6.713 1.00 0.00 N ATOM 1426 CA GLU A 92 8.401 -8.745 -6.507 1.00 0.00 C ATOM 1427 C GLU A 92 9.566 -7.774 -6.268 1.00 0.00 C ATOM 1428 O GLU A 92 10.013 -7.277 -7.303 1.00 0.00 O ATOM 1429 CB GLU A 92 8.539 -9.501 -7.818 1.00 0.00 C ATOM 1430 CG GLU A 92 7.582 -9.059 -8.968 1.00 0.00 C ATOM 1431 CD GLU A 92 8.096 -9.551 -10.300 1.00 0.00 C ATOM 1432 OE1 GLU A 92 9.187 -10.095 -10.369 1.00 0.00 O ATOM 1433 OE2 GLU A 92 7.389 -9.392 -11.288 1.00 0.00 O ATOM 0 H GLU A 92 7.435 -6.917 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 92 8.349 -9.450 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.566 -9.398 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.374 -10.561 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.582 -9.453 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.498 -7.972 -8.982 1.00 0.00 H new ATOM 1440 N ILE A 93 9.853 -7.663 -4.987 1.00 0.00 N ATOM 1441 CA ILE A 93 10.911 -6.815 -4.425 1.00 0.00 C ATOM 1442 C ILE A 93 11.578 -5.964 -5.505 1.00 0.00 C ATOM 1443 O ILE A 93 12.711 -6.321 -5.823 1.00 0.00 O ATOM 1444 CB ILE A 93 11.896 -7.580 -3.536 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.185 -8.784 -2.893 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.333 -6.720 -2.361 1.00 0.00 C ATOM 1447 CD1 ILE A 93 10.049 -8.370 -1.946 1.00 0.00 C ATOM 0 H ILE A 93 9.341 -8.178 -4.271 1.00 0.00 H new ATOM 0 HA ILE A 93 10.429 -6.116 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 93 12.738 -7.871 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.782 -9.424 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.914 -9.378 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.033 -7.280 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.819 -5.817 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.461 -6.445 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.585 -9.261 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.452 -7.754 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.303 -7.801 -2.500 1.00 0.00 H new ATOM 1459 N SER A 94 10.793 -4.981 -5.900 1.00 0.00 N ATOM 1460 CA SER A 94 11.202 -4.052 -6.918 1.00 0.00 C ATOM 1461 C SER A 94 12.674 -4.017 -7.268 1.00 0.00 C ATOM 1462 O SER A 94 13.058 -4.109 -8.441 1.00 0.00 O ATOM 1463 CB SER A 94 10.633 -2.641 -6.584 1.00 0.00 C ATOM 1464 OG SER A 94 11.202 -1.650 -7.346 1.00 0.00 O ATOM 0 H SER A 94 9.861 -4.810 -5.523 1.00 0.00 H new ATOM 0 HA SER A 94 10.770 -4.431 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.554 -2.641 -6.741 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.801 -2.425 -5.529 1.00 0.00 H new ATOM 0 HG SER A 94 11.357 -0.858 -6.790 1.00 0.00 H new ATOM 1470 N GLY A 95 13.519 -3.885 -6.261 1.00 0.00 N ATOM 1471 CA GLY A 95 14.956 -3.845 -6.547 1.00 0.00 C ATOM 1472 C GLY A 95 15.604 -4.610 -5.367 1.00 0.00 C ATOM 1473 O GLY A 95 15.826 -5.807 -5.376 1.00 0.00 O ATOM 0 H GLY A 95 13.260 -3.806 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.185 -4.319 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.321 -2.820 -6.605 1.00 0.00 H new ATOM 1477 N ASN A 96 15.834 -3.680 -4.406 1.00 0.00 N ATOM 1478 CA ASN A 96 16.437 -4.087 -3.156 1.00 0.00 C ATOM 1479 C ASN A 96 15.439 -3.565 -2.084 1.00 0.00 C ATOM 1480 O ASN A 96 15.779 -3.430 -0.913 1.00 0.00 O ATOM 1481 CB ASN A 96 17.772 -3.379 -3.010 1.00 0.00 C ATOM 1482 CG ASN A 96 18.425 -3.298 -4.401 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.635 -2.215 -4.883 1.00 0.00 O ATOM 1484 ND2 ASN A 96 18.676 -4.534 -4.875 1.00 0.00 N ATOM 0 H ASN A 96 15.614 -2.687 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 96 16.615 -5.160 -3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 96 17.630 -2.380 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.417 -3.921 -2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 96 19.116 -4.651 -5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 96 18.426 -5.353 -4.321 1.00 0.00 H new ATOM 1491 N GLU A 97 14.245 -3.308 -2.627 1.00 0.00 N ATOM 1492 CA GLU A 97 13.106 -2.805 -1.875 1.00 0.00 C ATOM 1493 C GLU A 97 11.846 -3.267 -2.618 1.00 0.00 C ATOM 1494 O GLU A 97 11.951 -3.748 -3.734 1.00 0.00 O ATOM 1495 CB GLU A 97 13.124 -1.312 -1.601 1.00 0.00 C ATOM 1496 CG GLU A 97 14.128 -0.600 -2.508 1.00 0.00 C ATOM 1497 CD GLU A 97 13.592 -0.675 -3.933 1.00 0.00 C ATOM 1498 OE1 GLU A 97 12.781 0.168 -4.318 1.00 0.00 O ATOM 1499 OE2 GLU A 97 14.051 -1.617 -4.595 1.00 0.00 O ATOM 0 H GLU A 97 14.046 -3.448 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 97 13.139 -3.218 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.128 -0.898 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.381 -1.133 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.254 0.438 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.108 -1.073 -2.441 1.00 0.00 H new ATOM 1506 N LEU A 98 10.762 -3.053 -1.861 1.00 0.00 N ATOM 1507 CA LEU A 98 9.431 -3.383 -2.279 1.00 0.00 C ATOM 1508 C LEU A 98 8.641 -2.086 -2.595 1.00 0.00 C ATOM 1509 O LEU A 98 8.787 -1.122 -1.873 1.00 0.00 O ATOM 1510 CB LEU A 98 8.798 -4.214 -1.140 1.00 0.00 C ATOM 1511 CG LEU A 98 8.031 -5.433 -1.608 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.033 -6.565 -0.599 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.529 -5.043 -1.709 1.00 0.00 C ATOM 0 H LEU A 98 10.806 -2.639 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 98 9.420 -3.971 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.586 -4.535 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.126 -3.573 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 98 8.500 -5.750 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.467 -7.407 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.059 -6.877 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.575 -6.225 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.951 -5.904 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.169 -4.724 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.412 -4.227 -2.422 1.00 0.00 H new ATOM 1525 N ILE A 99 7.871 -2.240 -3.688 1.00 0.00 N ATOM 1526 CA ILE A 99 7.059 -1.158 -4.150 1.00 0.00 C ATOM 1527 C ILE A 99 5.620 -1.496 -3.701 1.00 0.00 C ATOM 1528 O ILE A 99 5.314 -0.876 -2.697 1.00 0.00 O ATOM 1529 CB ILE A 99 7.278 -1.123 -5.666 1.00 0.00 C ATOM 1530 CG1 ILE A 99 8.448 -0.123 -5.878 1.00 0.00 C ATOM 1531 CG2 ILE A 99 6.111 -0.461 -6.375 1.00 0.00 C ATOM 1532 CD1 ILE A 99 8.815 0.236 -7.307 1.00 0.00 C ATOM 0 H ILE A 99 7.811 -3.095 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 99 7.288 -0.167 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 99 7.430 -2.137 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.201 0.800 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.335 -0.536 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.296 -0.451 -7.449 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.197 -1.018 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.001 0.562 -6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.646 0.941 -7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.107 -0.666 -7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.956 0.691 -7.800 1.00 0.00 H new ATOM 1544 N GLN A 100 4.960 -2.379 -4.461 1.00 0.00 N ATOM 1545 CA GLN A 100 3.607 -2.820 -4.198 1.00 0.00 C ATOM 1546 C GLN A 100 2.742 -2.096 -5.263 1.00 0.00 C ATOM 1547 O GLN A 100 2.136 -1.068 -5.009 1.00 0.00 O ATOM 1548 CB GLN A 100 3.064 -2.536 -2.808 1.00 0.00 C ATOM 1549 CG GLN A 100 3.815 -3.056 -1.604 1.00 0.00 C ATOM 1550 CD GLN A 100 3.090 -4.327 -1.098 1.00 0.00 C ATOM 1551 OE1 GLN A 100 3.475 -5.427 -1.466 1.00 0.00 O ATOM 1552 NE2 GLN A 100 2.044 -4.045 -0.259 1.00 0.00 N ATOM 0 H GLN A 100 5.370 -2.809 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 100 3.584 -3.908 -4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.982 -1.454 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.052 -2.938 -2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.847 -3.286 -1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.849 -2.299 -0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.823 -3.077 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.487 -4.804 0.134 1.00 0.00 H new ATOM 1561 N THR A 101 2.825 -2.807 -6.388 1.00 0.00 N ATOM 1562 CA THR A 101 2.140 -2.442 -7.585 1.00 0.00 C ATOM 1563 C THR A 101 0.708 -2.959 -7.607 1.00 0.00 C ATOM 1564 O THR A 101 0.451 -4.078 -7.958 1.00 0.00 O ATOM 1565 CB THR A 101 2.801 -2.830 -8.914 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.193 -2.751 -8.946 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.211 -2.153 -10.167 1.00 0.00 C ATOM 0 H THR A 101 3.381 -3.658 -6.474 1.00 0.00 H new ATOM 0 HA THR A 101 2.178 -1.354 -7.532 1.00 0.00 H new ATOM 0 HB THR A 101 2.540 -3.887 -8.957 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.516 -3.019 -9.832 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.748 -2.495 -11.052 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.157 -2.414 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.311 -1.071 -10.077 1.00 0.00 H new ATOM 1575 N TYR A 102 -0.142 -2.010 -7.184 1.00 0.00 N ATOM 1576 CA TYR A 102 -1.530 -2.524 -7.206 1.00 0.00 C ATOM 1577 C TYR A 102 -1.868 -2.698 -8.693 1.00 0.00 C ATOM 1578 O TYR A 102 -1.328 -1.937 -9.485 1.00 0.00 O ATOM 1579 CB TYR A 102 -2.513 -1.615 -6.522 1.00 0.00 C ATOM 1580 CG TYR A 102 -2.107 -0.989 -5.237 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.386 0.219 -5.251 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -2.382 -1.506 -3.990 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -1.007 0.809 -4.069 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -1.966 -0.855 -2.853 1.00 0.00 C ATOM 1585 CZ TYR A 102 -1.269 0.325 -2.984 1.00 0.00 C ATOM 1586 OH TYR A 102 -0.851 0.986 -1.844 1.00 0.00 O ATOM 0 H TYR A 102 0.043 -1.056 -6.875 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.601 -3.459 -6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.768 -0.815 -7.217 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.425 -2.184 -6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.130 0.683 -6.192 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.930 -2.433 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.456 1.737 -4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.182 -1.261 -1.876 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.133 0.482 -1.052 1.00 0.00 H new ATOM 1596 N THR A 103 -2.750 -3.717 -8.893 1.00 0.00 N ATOM 1597 CA THR A 103 -3.147 -3.992 -10.264 1.00 0.00 C ATOM 1598 C THR A 103 -4.643 -3.779 -10.363 1.00 0.00 C ATOM 1599 O THR A 103 -5.454 -4.664 -10.478 1.00 0.00 O ATOM 1600 CB THR A 103 -2.675 -5.372 -10.684 1.00 0.00 C ATOM 1601 OG1 THR A 103 -1.386 -5.650 -10.146 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.569 -5.628 -12.186 1.00 0.00 C ATOM 0 H THR A 103 -3.161 -4.309 -8.172 1.00 0.00 H new ATOM 0 HA THR A 103 -2.672 -3.311 -10.970 1.00 0.00 H new ATOM 0 HB THR A 103 -3.461 -6.019 -10.294 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.796 -5.970 -10.860 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.222 -6.647 -12.358 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.547 -5.495 -12.648 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.862 -4.925 -12.626 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.906 -2.460 -10.297 1.00 0.00 N ATOM 1611 CA TYR A 104 -6.275 -2.013 -10.376 1.00 0.00 C ATOM 1612 C TYR A 104 -6.676 -1.790 -11.825 1.00 0.00 C ATOM 1613 O TYR A 104 -6.227 -0.839 -12.455 1.00 0.00 O ATOM 1614 CB TYR A 104 -6.340 -0.755 -9.490 1.00 0.00 C ATOM 1615 CG TYR A 104 -7.565 0.068 -9.710 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -8.697 -0.400 -10.321 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -7.607 1.391 -9.293 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -9.787 0.412 -10.496 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.740 2.125 -9.514 1.00 0.00 C ATOM 1620 CZ TYR A 104 -9.740 1.716 -10.051 1.00 0.00 C ATOM 1621 OH TYR A 104 -10.826 2.533 -10.228 1.00 0.00 O ATOM 0 H TYR A 104 -4.207 -1.724 -10.193 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.996 -2.746 -10.014 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.298 -1.056 -8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -5.460 -0.140 -9.681 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.732 -1.422 -10.669 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.755 1.836 -8.800 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -10.676 0.033 -10.979 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.739 3.152 -9.181 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.632 3.420 -9.858 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.522 -2.706 -12.264 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.099 -2.783 -13.583 1.00 0.00 C ATOM 1633 C GLU A 105 -8.032 -1.528 -14.425 1.00 0.00 C ATOM 1634 O GLU A 105 -8.845 -0.614 -14.306 1.00 0.00 O ATOM 1635 CB GLU A 105 -9.576 -3.216 -13.357 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.012 -4.025 -14.598 1.00 0.00 C ATOM 1637 CD GLU A 105 -9.929 -5.529 -14.346 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -8.880 -6.056 -13.989 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -10.963 -6.209 -14.515 1.00 0.00 O ATOM 0 H GLU A 105 -7.842 -3.465 -11.662 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.510 -3.488 -14.170 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.666 -3.820 -12.454 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.216 -2.344 -13.222 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.033 -3.756 -14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.379 -3.762 -15.445 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.996 -1.524 -15.301 1.00 0.00 N ATOM 1647 CA GLY A 106 -6.842 -0.381 -16.138 1.00 0.00 C ATOM 1648 C GLY A 106 -5.819 0.625 -15.628 1.00 0.00 C ATOM 1649 O GLY A 106 -5.634 1.659 -16.276 1.00 0.00 O ATOM 0 H GLY A 106 -6.309 -2.268 -15.420 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.548 -0.710 -17.135 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.807 0.116 -16.238 1.00 0.00 H new ATOM 1653 N VAL A 107 -5.164 0.330 -14.474 1.00 0.00 N ATOM 1654 CA VAL A 107 -4.195 1.272 -13.980 1.00 0.00 C ATOM 1655 C VAL A 107 -3.201 0.580 -13.050 1.00 0.00 C ATOM 1656 O VAL A 107 -3.517 0.263 -11.912 1.00 0.00 O ATOM 1657 CB VAL A 107 -4.930 2.319 -13.141 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -4.014 3.356 -12.488 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -5.914 3.171 -13.943 1.00 0.00 C ATOM 0 H VAL A 107 -5.296 -0.512 -13.913 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.671 1.713 -14.828 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.428 1.690 -12.403 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.614 4.060 -11.912 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.309 2.853 -11.826 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.465 3.894 -13.261 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.396 3.890 -13.281 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.378 3.704 -14.728 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.670 2.527 -14.392 1.00 0.00 H new ATOM 1669 N GLU A 108 -1.974 0.367 -13.617 1.00 0.00 N ATOM 1670 CA GLU A 108 -0.933 -0.284 -12.843 1.00 0.00 C ATOM 1671 C GLU A 108 -0.168 0.799 -12.067 1.00 0.00 C ATOM 1672 O GLU A 108 0.900 1.135 -12.567 1.00 0.00 O ATOM 1673 CB GLU A 108 0.004 -1.131 -13.697 1.00 0.00 C ATOM 1674 CG GLU A 108 -0.769 -2.328 -14.262 1.00 0.00 C ATOM 1675 CD GLU A 108 -1.548 -1.890 -15.478 1.00 0.00 C ATOM 1676 OE1 GLU A 108 -0.871 -1.507 -16.438 1.00 0.00 O ATOM 1677 OE2 GLU A 108 -2.776 -1.931 -15.471 1.00 0.00 O ATOM 0 H GLU A 108 -1.713 0.632 -14.567 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.398 -0.987 -12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.415 -0.532 -14.510 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.847 -1.477 -13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.079 -3.129 -14.527 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.446 -2.728 -13.507 1.00 0.00 H new ATOM 1684 N ALA A 109 -0.767 1.243 -10.926 1.00 0.00 N ATOM 1685 CA ALA A 109 -0.062 2.246 -10.184 1.00 0.00 C ATOM 1686 C ALA A 109 0.802 1.569 -9.083 1.00 0.00 C ATOM 1687 O ALA A 109 0.341 0.537 -8.624 1.00 0.00 O ATOM 1688 CB ALA A 109 -1.130 2.958 -9.340 1.00 0.00 C ATOM 0 H ALA A 109 -1.663 0.934 -10.549 1.00 0.00 H new ATOM 0 HA ALA A 109 0.520 2.866 -10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.661 3.741 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.878 3.401 -9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.611 2.238 -8.678 1.00 0.00 H new ATOM 1694 N LYS A 110 1.909 2.262 -8.839 1.00 0.00 N ATOM 1695 CA LYS A 110 2.823 1.790 -7.859 1.00 0.00 C ATOM 1696 C LYS A 110 2.986 2.803 -6.741 1.00 0.00 C ATOM 1697 O LYS A 110 2.627 3.972 -6.891 1.00 0.00 O ATOM 1698 CB LYS A 110 4.217 1.579 -8.509 1.00 0.00 C ATOM 1699 CG LYS A 110 4.060 0.403 -9.471 1.00 0.00 C ATOM 1700 CD LYS A 110 5.387 0.053 -10.160 1.00 0.00 C ATOM 1701 CE LYS A 110 5.764 0.921 -11.364 1.00 0.00 C ATOM 1702 NZ LYS A 110 7.076 0.602 -11.946 1.00 0.00 N ATOM 0 H LYS A 110 2.173 3.130 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 110 2.431 0.856 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.540 2.475 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.972 1.366 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.692 -0.466 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.311 0.647 -10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.186 0.122 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.342 -0.986 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.000 0.808 -12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.758 1.968 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.259 1.230 -12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.816 0.737 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.082 -0.387 -12.268 1.00 0.00 H new ATOM 1716 N ARG A 111 3.548 2.223 -5.672 1.00 0.00 N ATOM 1717 CA ARG A 111 3.789 3.049 -4.485 1.00 0.00 C ATOM 1718 C ARG A 111 5.267 2.727 -4.193 1.00 0.00 C ATOM 1719 O ARG A 111 5.647 1.580 -4.197 1.00 0.00 O ATOM 1720 CB ARG A 111 2.843 2.678 -3.355 1.00 0.00 C ATOM 1721 CG ARG A 111 2.720 3.823 -2.329 1.00 0.00 C ATOM 1722 CD ARG A 111 1.662 4.803 -2.833 1.00 0.00 C ATOM 1723 NE ARG A 111 0.649 4.969 -1.805 1.00 0.00 N ATOM 1724 CZ ARG A 111 0.828 5.847 -0.814 1.00 0.00 C ATOM 1725 NH1 ARG A 111 1.893 6.632 -0.653 1.00 0.00 N ATOM 1726 NH2 ARG A 111 -0.155 5.928 0.080 1.00 0.00 N ATOM 0 H ARG A 111 3.829 1.245 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 111 3.608 4.116 -4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.859 2.445 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.203 1.778 -2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.439 3.430 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.678 4.328 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.120 5.763 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.210 4.430 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.204 4.412 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.662 6.591 -1.322 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.939 7.273 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.982 5.339 -0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.081 6.579 0.862 1.00 0.00 H new ATOM 1740 N ILE A 112 6.007 3.839 -3.953 1.00 0.00 N ATOM 1741 CA ILE A 112 7.403 3.627 -3.675 1.00 0.00 C ATOM 1742 C ILE A 112 7.689 3.549 -2.163 1.00 0.00 C ATOM 1743 O ILE A 112 7.524 4.535 -1.448 1.00 0.00 O ATOM 1744 CB ILE A 112 8.351 4.616 -4.353 1.00 0.00 C ATOM 1745 CG1 ILE A 112 8.271 4.403 -5.872 1.00 0.00 C ATOM 1746 CG2 ILE A 112 9.824 4.421 -4.063 1.00 0.00 C ATOM 1747 CD1 ILE A 112 7.255 5.231 -6.643 1.00 0.00 C ATOM 0 H ILE A 112 5.676 4.804 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 112 7.617 2.657 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 112 8.031 5.588 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.257 4.603 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.055 3.350 -6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.403 5.176 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.000 4.517 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.132 3.429 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.308 4.978 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.253 5.019 -6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.474 6.291 -6.512 1.00 0.00 H new ATOM 1759 N PHE A 113 8.098 2.321 -1.890 1.00 0.00 N ATOM 1760 CA PHE A 113 8.443 1.944 -0.563 1.00 0.00 C ATOM 1761 C PHE A 113 9.844 1.287 -0.704 1.00 0.00 C ATOM 1762 O PHE A 113 10.275 1.133 -1.826 1.00 0.00 O ATOM 1763 CB PHE A 113 7.551 0.912 0.113 1.00 0.00 C ATOM 1764 CG PHE A 113 6.268 1.543 0.543 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.113 2.925 0.750 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.140 0.764 0.761 1.00 0.00 C ATOM 1767 CE1 PHE A 113 4.868 3.384 1.143 1.00 0.00 C ATOM 1768 CE2 PHE A 113 3.957 1.375 1.161 1.00 0.00 C ATOM 1769 CZ PHE A 113 3.786 2.562 1.346 1.00 0.00 C ATOM 0 H PHE A 113 8.194 1.579 -2.583 1.00 0.00 H new ATOM 0 HA PHE A 113 8.365 2.837 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.348 0.090 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.063 0.487 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.939 3.606 0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.181 -0.306 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 113 4.740 4.445 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.106 0.730 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 113 2.828 2.954 1.656 1.00 0.00 H new ATOM 1779 N LYS A 114 10.338 0.999 0.506 1.00 0.00 N ATOM 1780 CA LYS A 114 11.637 0.380 0.582 1.00 0.00 C ATOM 1781 C LYS A 114 11.895 -0.247 1.965 1.00 0.00 C ATOM 1782 O LYS A 114 11.087 -0.497 2.847 1.00 0.00 O ATOM 1783 CB LYS A 114 12.709 1.342 0.097 1.00 0.00 C ATOM 1784 CG LYS A 114 12.368 2.839 0.125 1.00 0.00 C ATOM 1785 CD LYS A 114 12.160 3.261 1.581 1.00 0.00 C ATOM 1786 CE LYS A 114 11.344 4.563 1.817 1.00 0.00 C ATOM 1787 NZ LYS A 114 11.911 5.755 1.207 1.00 0.00 N ATOM 0 H LYS A 114 9.875 1.179 1.397 1.00 0.00 H new ATOM 0 HA LYS A 114 11.674 -0.470 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 114 13.602 1.187 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 114 12.967 1.073 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 114 13.172 3.419 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.468 3.034 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.660 2.446 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.139 3.384 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.335 4.418 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.253 4.729 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.304 6.573 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.862 5.923 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.973 5.622 0.177 1.00 0.00 H new ATOM 1801 N LYS A 115 13.182 -0.543 2.160 1.00 0.00 N ATOM 1802 CA LYS A 115 13.769 -1.110 3.330 1.00 0.00 C ATOM 1803 C LYS A 115 14.774 -0.156 3.962 1.00 0.00 C ATOM 1804 O LYS A 115 15.492 0.541 3.256 1.00 0.00 O ATOM 1805 CB LYS A 115 14.437 -2.422 2.899 1.00 0.00 C ATOM 1806 CG LYS A 115 14.460 -3.346 4.142 1.00 0.00 C ATOM 1807 CD LYS A 115 15.791 -4.106 4.178 1.00 0.00 C ATOM 1808 CE LYS A 115 15.799 -5.274 5.155 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.986 -6.086 5.209 1.00 0.00 N ATOM 0 H LYS A 115 13.877 -0.371 1.434 1.00 0.00 H new ATOM 0 HA LYS A 115 13.011 -1.297 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.884 -2.887 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.448 -2.239 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.339 -2.757 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.627 -4.048 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.015 -4.478 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.588 -3.413 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.616 -4.878 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.958 -5.923 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.858 -6.842 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.161 -6.508 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.798 -5.496 5.480 1.00 0.00 H new ATOM 1823 N GLU A 116 14.756 -0.196 5.305 1.00 0.00 N ATOM 1824 CA GLU A 116 15.607 0.616 6.090 1.00 0.00 C ATOM 1825 C GLU A 116 15.622 0.192 7.578 1.00 0.00 C ATOM 1826 O GLU A 116 16.690 0.164 8.171 1.00 0.00 O ATOM 1827 CB GLU A 116 14.996 2.047 6.035 1.00 0.00 C ATOM 1828 CG GLU A 116 15.695 3.067 5.157 1.00 0.00 C ATOM 1829 CD GLU A 116 16.322 4.175 6.009 1.00 0.00 C ATOM 1830 OE1 GLU A 116 16.638 3.889 7.156 1.00 0.00 O ATOM 1831 OE2 GLU A 116 16.508 5.313 5.549 1.00 0.00 O ATOM 1832 OXT GLU A 116 14.583 -0.113 8.125 1.00 0.00 O ATOM 0 H GLU A 116 14.140 -0.803 5.846 1.00 0.00 H new ATOM 0 HA GLU A 116 16.625 0.543 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.964 1.960 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.966 2.440 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 116 16.467 2.576 4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.982 3.500 4.456 1.00 0.00 H new TER 1839 GLU A 116