USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 959 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 CYS SG : rot 72:sc= -1.08! USER MOD Set 1.2: A 67 GLN : amide:sc= -2.01! C(o=-3.1!,f=-4.6!) USER MOD Set 2.1: A 36 TYR OH : rot 117:sc= 0.118 USER MOD Set 2.2: A 52 ASN : amide:sc= -5.38! C(o=-5.3!,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 63:sc= 0.245 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -42:sc= 0.36 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0598 X(o=-0.06,f=-0.26) USER MOD Single : A 15 ASN : amide:sc= 0.162 K(o=0.16,f=-1.9) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.692 K(o=-0.69,f=-2) USER MOD Single : A 28 ASN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.0066) USER MOD Single : A 44 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.91) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -109:sc= -5.42! (180deg=-10.7!) USER MOD Single : A 54 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.4!) USER MOD Single : A 55 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.118 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.69) USER MOD Single : A 82 LYS NZ :NH3+ -113:sc= -0.0927 (180deg=-1.76!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -103:sc= 0.902 USER MOD Single : A 88 CYS SG : rot -70:sc= -2.36 USER MOD Single : A 92 ASN : amide:sc=-0.00232 X(o=-0.0023,f=-0.036) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc=-0.00361 X(o=-0.0036,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.38) USER MOD Single : A 117 GLN : amide:sc=-9.25e-05 X(o=-9.3e-05,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.440 -12.057 1.863 1.00 0.00 N ATOM 2 CA GLY A 1 -3.690 -11.319 1.924 1.00 0.00 C ATOM 3 C GLY A 1 -3.884 -10.465 0.669 1.00 0.00 C ATOM 4 O GLY A 1 -4.330 -10.965 -0.362 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.332 -12.628 2.725 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.446 -12.682 1.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.646 -11.389 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.523 -12.015 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.697 -10.681 2.807 1.00 0.00 H new ATOM 8 N SER A 2 -3.540 -9.192 0.799 1.00 0.00 N ATOM 9 CA SER A 2 -3.672 -8.265 -0.312 1.00 0.00 C ATOM 10 C SER A 2 -5.150 -8.052 -0.644 1.00 0.00 C ATOM 11 O SER A 2 -5.974 -8.936 -0.415 1.00 0.00 O ATOM 12 CB SER A 2 -2.918 -8.770 -1.543 1.00 0.00 C ATOM 13 OG SER A 2 -1.671 -8.102 -1.717 1.00 0.00 O ATOM 0 H SER A 2 -3.170 -8.781 1.656 1.00 0.00 H new ATOM 0 HA SER A 2 -3.233 -7.312 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.745 -9.842 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.534 -8.625 -2.430 1.00 0.00 H new ATOM 0 HG SER A 2 -1.220 -8.454 -2.512 1.00 0.00 H new ATOM 19 N SER A 3 -5.440 -6.875 -1.179 1.00 0.00 N ATOM 20 CA SER A 3 -6.804 -6.535 -1.545 1.00 0.00 C ATOM 21 C SER A 3 -6.860 -5.106 -2.089 1.00 0.00 C ATOM 22 O SER A 3 -6.604 -4.150 -1.359 1.00 0.00 O ATOM 23 CB SER A 3 -7.749 -6.686 -0.351 1.00 0.00 C ATOM 24 OG SER A 3 -8.615 -7.808 -0.494 1.00 0.00 O ATOM 0 H SER A 3 -4.753 -6.145 -1.368 1.00 0.00 H new ATOM 0 HA SER A 3 -7.131 -7.226 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.164 -6.793 0.563 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.345 -5.780 -0.243 1.00 0.00 H new ATOM 0 HG SER A 3 -8.083 -8.630 -0.526 1.00 0.00 H new ATOM 30 N GLY A 4 -7.196 -5.006 -3.367 1.00 0.00 N ATOM 31 CA GLY A 4 -7.288 -3.710 -4.017 1.00 0.00 C ATOM 32 C GLY A 4 -8.362 -3.718 -5.106 1.00 0.00 C ATOM 33 O GLY A 4 -9.160 -4.651 -5.189 1.00 0.00 O ATOM 0 H GLY A 4 -7.408 -5.801 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.521 -2.944 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.324 -3.449 -4.454 1.00 0.00 H new ATOM 37 N SER A 5 -8.349 -2.668 -5.914 1.00 0.00 N ATOM 38 CA SER A 5 -9.312 -2.543 -6.995 1.00 0.00 C ATOM 39 C SER A 5 -8.606 -2.093 -8.276 1.00 0.00 C ATOM 40 O SER A 5 -7.713 -1.248 -8.232 1.00 0.00 O ATOM 41 CB SER A 5 -10.425 -1.560 -6.629 1.00 0.00 C ATOM 42 OG SER A 5 -11.712 -2.049 -6.996 1.00 0.00 O ATOM 0 H SER A 5 -7.687 -1.896 -5.842 1.00 0.00 H new ATOM 0 HA SER A 5 -9.767 -3.519 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.402 -1.370 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.244 -0.607 -7.126 1.00 0.00 H new ATOM 0 HG SER A 5 -12.395 -1.393 -6.744 1.00 0.00 H new ATOM 48 N SER A 6 -9.033 -2.677 -9.385 1.00 0.00 N ATOM 49 CA SER A 6 -8.453 -2.347 -10.676 1.00 0.00 C ATOM 50 C SER A 6 -9.349 -2.868 -11.801 1.00 0.00 C ATOM 51 O SER A 6 -9.747 -2.110 -12.684 1.00 0.00 O ATOM 52 CB SER A 6 -7.042 -2.924 -10.810 1.00 0.00 C ATOM 53 OG SER A 6 -6.263 -2.708 -9.637 1.00 0.00 O ATOM 0 H SER A 6 -9.774 -3.377 -9.417 1.00 0.00 H new ATOM 0 HA SER A 6 -8.381 -1.262 -10.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.105 -3.993 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.544 -2.468 -11.665 1.00 0.00 H new ATOM 0 HG SER A 6 -6.420 -1.800 -9.303 1.00 0.00 H new ATOM 59 N GLY A 7 -9.639 -4.159 -11.733 1.00 0.00 N ATOM 60 CA GLY A 7 -10.481 -4.791 -12.735 1.00 0.00 C ATOM 61 C GLY A 7 -9.782 -6.004 -13.352 1.00 0.00 C ATOM 62 O GLY A 7 -10.029 -7.139 -12.948 1.00 0.00 O ATOM 0 H GLY A 7 -9.306 -4.785 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.422 -5.101 -12.281 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.726 -4.071 -13.516 1.00 0.00 H new ATOM 66 N MET A 8 -8.924 -5.723 -14.322 1.00 0.00 N ATOM 67 CA MET A 8 -8.188 -6.777 -14.999 1.00 0.00 C ATOM 68 C MET A 8 -7.088 -6.194 -15.888 1.00 0.00 C ATOM 69 O MET A 8 -7.121 -6.354 -17.107 1.00 0.00 O ATOM 70 CB MET A 8 -9.150 -7.605 -15.853 1.00 0.00 C ATOM 71 CG MET A 8 -9.819 -6.737 -16.922 1.00 0.00 C ATOM 72 SD MET A 8 -11.534 -6.471 -16.507 1.00 0.00 S ATOM 73 CE MET A 8 -11.652 -4.713 -16.789 1.00 0.00 C ATOM 0 H MET A 8 -8.722 -4.780 -14.655 1.00 0.00 H new ATOM 0 HA MET A 8 -7.722 -7.410 -14.244 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.608 -8.422 -16.329 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.911 -8.056 -15.216 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.303 -5.780 -17.001 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.743 -7.221 -17.896 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.667 -4.378 -16.575 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.952 -4.192 -16.136 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.409 -4.494 -17.829 1.00 0.00 H new ATOM 83 N PRO A 9 -6.115 -5.512 -15.227 1.00 0.00 N ATOM 84 CA PRO A 9 -5.007 -4.904 -15.944 1.00 0.00 C ATOM 85 C PRO A 9 -4.002 -5.963 -16.400 1.00 0.00 C ATOM 86 O PRO A 9 -4.039 -7.101 -15.934 1.00 0.00 O ATOM 87 CB PRO A 9 -4.411 -3.900 -14.970 1.00 0.00 C ATOM 88 CG PRO A 9 -4.908 -4.311 -13.593 1.00 0.00 C ATOM 89 CD PRO A 9 -6.044 -5.302 -13.784 1.00 0.00 C ATOM 0 HA PRO A 9 -5.322 -4.409 -16.863 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.322 -3.914 -15.012 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.727 -2.885 -15.213 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.101 -4.762 -13.015 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.251 -3.440 -13.035 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.847 -6.236 -13.257 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.983 -4.908 -13.395 1.00 0.00 H new ATOM 97 N TYR A 10 -3.128 -5.552 -17.307 1.00 0.00 N ATOM 98 CA TYR A 10 -2.115 -6.452 -17.832 1.00 0.00 C ATOM 99 C TYR A 10 -0.713 -5.997 -17.422 1.00 0.00 C ATOM 100 O TYR A 10 -0.157 -5.075 -18.018 1.00 0.00 O ATOM 101 CB TYR A 10 -2.237 -6.381 -19.356 1.00 0.00 C ATOM 102 CG TYR A 10 -3.674 -6.479 -19.870 1.00 0.00 C ATOM 103 CD1 TYR A 10 -4.407 -7.629 -19.655 1.00 0.00 C ATOM 104 CD2 TYR A 10 -4.238 -5.419 -20.550 1.00 0.00 C ATOM 105 CE1 TYR A 10 -5.760 -7.721 -20.139 1.00 0.00 C ATOM 106 CE2 TYR A 10 -5.590 -5.511 -21.035 1.00 0.00 C ATOM 107 CZ TYR A 10 -6.285 -6.658 -20.806 1.00 0.00 C ATOM 108 OH TYR A 10 -7.562 -6.746 -21.263 1.00 0.00 O ATOM 0 H TYR A 10 -3.100 -4.608 -17.692 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.261 -7.462 -17.448 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.801 -5.444 -19.702 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.649 -7.187 -19.795 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.966 -8.459 -19.124 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.664 -4.520 -20.718 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.345 -8.614 -19.976 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.043 -4.688 -21.569 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.804 -5.913 -21.719 1.00 0.00 H new ATOM 118 N VAL A 11 -0.182 -6.664 -16.409 1.00 0.00 N ATOM 119 CA VAL A 11 1.145 -6.340 -15.913 1.00 0.00 C ATOM 120 C VAL A 11 1.145 -4.911 -15.366 1.00 0.00 C ATOM 121 O VAL A 11 1.100 -3.949 -16.132 1.00 0.00 O ATOM 122 CB VAL A 11 2.184 -6.558 -17.015 1.00 0.00 C ATOM 123 CG1 VAL A 11 3.585 -6.181 -16.530 1.00 0.00 C ATOM 124 CG2 VAL A 11 2.149 -8.001 -17.522 1.00 0.00 C ATOM 0 H VAL A 11 -0.646 -7.428 -15.918 1.00 0.00 H new ATOM 0 HA VAL A 11 1.418 -7.003 -15.092 1.00 0.00 H new ATOM 0 HB VAL A 11 1.931 -5.903 -17.849 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.304 -6.345 -17.332 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.599 -5.130 -16.240 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.851 -6.798 -15.672 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.897 -8.130 -18.305 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.365 -8.681 -16.698 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.160 -8.221 -17.925 1.00 0.00 H new ATOM 134 N ASP A 12 1.196 -4.817 -14.045 1.00 0.00 N ATOM 135 CA ASP A 12 1.203 -3.521 -13.387 1.00 0.00 C ATOM 136 C ASP A 12 1.238 -3.724 -11.871 1.00 0.00 C ATOM 137 O ASP A 12 0.520 -4.569 -11.338 1.00 0.00 O ATOM 138 CB ASP A 12 -0.057 -2.723 -13.728 1.00 0.00 C ATOM 139 CG ASP A 12 0.145 -1.211 -13.836 1.00 0.00 C ATOM 140 OD1 ASP A 12 0.186 -0.566 -12.766 1.00 0.00 O ATOM 141 OD2 ASP A 12 0.253 -0.733 -14.986 1.00 0.00 O ATOM 0 H ASP A 12 1.233 -5.617 -13.413 1.00 0.00 H new ATOM 0 HA ASP A 12 2.081 -2.973 -13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.456 -3.090 -14.674 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.811 -2.920 -12.966 1.00 0.00 H new ATOM 146 N ARG A 13 2.080 -2.936 -11.220 1.00 0.00 N ATOM 147 CA ARG A 13 2.218 -3.018 -9.776 1.00 0.00 C ATOM 148 C ARG A 13 2.931 -1.776 -9.238 1.00 0.00 C ATOM 149 O ARG A 13 3.954 -1.886 -8.564 1.00 0.00 O ATOM 150 CB ARG A 13 3.004 -4.266 -9.368 1.00 0.00 C ATOM 151 CG ARG A 13 2.062 -5.432 -9.062 1.00 0.00 C ATOM 152 CD ARG A 13 2.433 -6.668 -9.884 1.00 0.00 C ATOM 153 NE ARG A 13 3.051 -7.690 -9.010 1.00 0.00 N ATOM 154 CZ ARG A 13 2.377 -8.410 -8.104 1.00 0.00 C ATOM 155 NH1 ARG A 13 1.060 -8.225 -7.946 1.00 0.00 N ATOM 156 NH2 ARG A 13 3.021 -9.316 -7.355 1.00 0.00 N ATOM 0 H ARG A 13 2.674 -2.237 -11.666 1.00 0.00 H new ATOM 0 HA ARG A 13 1.216 -3.078 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.688 -4.547 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.613 -4.046 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.107 -5.671 -7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.035 -5.141 -9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.543 -7.077 -10.363 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.125 -6.392 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 13 4.053 -7.856 -9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.570 -7.535 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.547 -8.774 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.024 -9.457 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.508 -9.865 -6.665 1.00 0.00 H new ATOM 170 N GLN A 14 2.363 -0.622 -9.557 1.00 0.00 N ATOM 171 CA GLN A 14 2.933 0.639 -9.115 1.00 0.00 C ATOM 172 C GLN A 14 3.169 0.614 -7.604 1.00 0.00 C ATOM 173 O GLN A 14 4.127 1.209 -7.112 1.00 0.00 O ATOM 174 CB GLN A 14 2.036 1.814 -9.511 1.00 0.00 C ATOM 175 CG GLN A 14 1.974 1.970 -11.031 1.00 0.00 C ATOM 176 CD GLN A 14 2.525 3.329 -11.466 1.00 0.00 C ATOM 177 OE1 GLN A 14 3.524 3.814 -10.960 1.00 0.00 O ATOM 178 NE2 GLN A 14 1.820 3.915 -12.430 1.00 0.00 N ATOM 0 H GLN A 14 1.514 -0.534 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 14 3.894 0.775 -9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.032 1.658 -9.117 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.415 2.732 -9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.546 1.173 -11.505 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.943 1.867 -11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.993 3.454 -12.810 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.106 4.826 -12.790 1.00 0.00 H new ATOM 187 N ASN A 15 2.280 -0.080 -6.909 1.00 0.00 N ATOM 188 CA ASN A 15 2.379 -0.190 -5.464 1.00 0.00 C ATOM 189 C ASN A 15 2.661 1.191 -4.870 1.00 0.00 C ATOM 190 O ASN A 15 3.708 1.407 -4.260 1.00 0.00 O ATOM 191 CB ASN A 15 3.524 -1.121 -5.060 1.00 0.00 C ATOM 192 CG ASN A 15 3.049 -2.574 -4.984 1.00 0.00 C ATOM 193 OD1 ASN A 15 2.658 -3.072 -3.942 1.00 0.00 O ATOM 194 ND2 ASN A 15 3.106 -3.222 -6.144 1.00 0.00 N ATOM 0 H ASN A 15 1.487 -0.572 -7.320 1.00 0.00 H new ATOM 0 HA ASN A 15 1.437 -0.593 -5.091 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.337 -1.038 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.923 -0.814 -4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.811 -4.197 -6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.444 -2.744 -6.979 1.00 0.00 H new ATOM 201 N ARG A 16 1.709 2.091 -5.068 1.00 0.00 N ATOM 202 CA ARG A 16 1.842 3.445 -4.559 1.00 0.00 C ATOM 203 C ARG A 16 0.717 4.329 -5.102 1.00 0.00 C ATOM 204 O ARG A 16 0.299 4.173 -6.248 1.00 0.00 O ATOM 205 CB ARG A 16 3.191 4.051 -4.951 1.00 0.00 C ATOM 206 CG ARG A 16 3.066 5.556 -5.198 1.00 0.00 C ATOM 207 CD ARG A 16 4.435 6.237 -5.136 1.00 0.00 C ATOM 208 NE ARG A 16 4.419 7.477 -5.944 1.00 0.00 N ATOM 209 CZ ARG A 16 5.519 8.083 -6.411 1.00 0.00 C ATOM 210 NH1 ARG A 16 6.729 7.568 -6.153 1.00 0.00 N ATOM 211 NH2 ARG A 16 5.410 9.205 -7.136 1.00 0.00 N ATOM 0 H ARG A 16 0.842 1.909 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 16 1.780 3.398 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.919 3.868 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.566 3.561 -5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.612 5.732 -6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.403 5.997 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.688 6.470 -4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.204 5.560 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 16 3.514 7.896 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.813 6.714 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.566 8.030 -6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.489 9.598 -7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.248 9.666 -7.491 1.00 0.00 H new ATOM 225 N ILE A 17 0.260 5.238 -4.254 1.00 0.00 N ATOM 226 CA ILE A 17 -0.808 6.146 -4.634 1.00 0.00 C ATOM 227 C ILE A 17 -0.251 7.568 -4.737 1.00 0.00 C ATOM 228 O ILE A 17 0.652 7.939 -3.989 1.00 0.00 O ATOM 229 CB ILE A 17 -1.990 6.018 -3.671 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.252 6.648 -4.263 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.646 6.603 -2.300 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.503 5.877 -3.837 1.00 0.00 C ATOM 0 H ILE A 17 0.610 5.365 -3.304 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.198 5.883 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.198 4.958 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.332 7.685 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.181 6.660 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.503 6.499 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.794 6.069 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.396 7.658 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.385 6.346 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.431 4.847 -4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.585 5.888 -2.750 1.00 0.00 H new ATOM 244 N CYS A 18 -0.812 8.323 -5.669 1.00 0.00 N ATOM 245 CA CYS A 18 -0.383 9.695 -5.879 1.00 0.00 C ATOM 246 C CYS A 18 -1.617 10.542 -6.194 1.00 0.00 C ATOM 247 O CYS A 18 -2.573 10.053 -6.795 1.00 0.00 O ATOM 248 CB CYS A 18 0.674 9.795 -6.980 1.00 0.00 C ATOM 249 SG CYS A 18 0.123 8.873 -8.462 1.00 0.00 S ATOM 0 H CYS A 18 -1.560 8.011 -6.288 1.00 0.00 H new ATOM 0 HA CYS A 18 0.093 10.072 -4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.847 10.840 -7.235 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.622 9.393 -6.623 1.00 0.00 H new ATOM 0 HG CYS A 18 1.027 8.966 -9.392 1.00 0.00 H new ATOM 255 N GLY A 19 -1.557 11.798 -5.776 1.00 0.00 N ATOM 256 CA GLY A 19 -2.658 12.718 -6.007 1.00 0.00 C ATOM 257 C GLY A 19 -2.542 13.948 -5.105 1.00 0.00 C ATOM 258 O GLY A 19 -1.468 14.241 -4.582 1.00 0.00 O ATOM 0 H GLY A 19 -0.763 12.200 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.665 13.028 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.605 12.212 -5.819 1.00 0.00 H new ATOM 262 N PHE A 20 -3.664 14.637 -4.951 1.00 0.00 N ATOM 263 CA PHE A 20 -3.702 15.829 -4.122 1.00 0.00 C ATOM 264 C PHE A 20 -4.684 15.659 -2.961 1.00 0.00 C ATOM 265 O PHE A 20 -5.872 15.427 -3.177 1.00 0.00 O ATOM 266 CB PHE A 20 -4.178 16.979 -5.012 1.00 0.00 C ATOM 267 CG PHE A 20 -3.125 17.475 -6.005 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.232 18.430 -5.628 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.080 16.961 -7.263 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.255 18.890 -6.549 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.102 17.421 -8.184 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.210 18.376 -7.808 1.00 0.00 C ATOM 0 H PHE A 20 -4.553 14.392 -5.387 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.714 16.021 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.060 16.656 -5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.486 17.811 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.267 18.838 -4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.788 16.203 -7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.547 19.649 -6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.067 17.012 -9.183 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.466 18.726 -8.508 1.00 0.00 H new ATOM 282 N LEU A 21 -4.151 15.780 -1.754 1.00 0.00 N ATOM 283 CA LEU A 21 -4.965 15.642 -0.559 1.00 0.00 C ATOM 284 C LEU A 21 -5.091 17.003 0.127 1.00 0.00 C ATOM 285 O LEU A 21 -4.385 17.947 -0.224 1.00 0.00 O ATOM 286 CB LEU A 21 -4.403 14.546 0.349 1.00 0.00 C ATOM 287 CG LEU A 21 -4.813 13.113 0.003 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.316 12.129 1.063 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.325 13.011 -0.209 1.00 0.00 C ATOM 0 H LEU A 21 -3.165 15.972 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.973 15.321 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.315 14.607 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.714 14.755 1.373 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.336 12.840 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.621 11.118 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.229 12.176 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.744 12.390 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.590 11.982 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.841 13.311 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.623 13.667 -1.027 1.00 0.00 H new ATOM 301 N ASP A 22 -5.995 17.062 1.094 1.00 0.00 N ATOM 302 CA ASP A 22 -6.222 18.292 1.833 1.00 0.00 C ATOM 303 C ASP A 22 -6.074 18.018 3.331 1.00 0.00 C ATOM 304 O ASP A 22 -7.021 17.581 3.982 1.00 0.00 O ATOM 305 CB ASP A 22 -7.634 18.829 1.588 1.00 0.00 C ATOM 306 CG ASP A 22 -7.763 19.800 0.413 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.769 19.918 -0.337 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.851 20.402 0.291 1.00 0.00 O ATOM 0 H ASP A 22 -6.579 16.277 1.383 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.492 19.028 1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.303 17.985 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.978 19.330 2.493 1.00 0.00 H new ATOM 313 N ILE A 23 -4.877 18.286 3.833 1.00 0.00 N ATOM 314 CA ILE A 23 -4.592 18.073 5.242 1.00 0.00 C ATOM 315 C ILE A 23 -4.994 19.320 6.032 1.00 0.00 C ATOM 316 O ILE A 23 -4.728 20.442 5.606 1.00 0.00 O ATOM 317 CB ILE A 23 -3.131 17.665 5.437 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.789 17.547 6.924 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.191 18.627 4.708 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.694 16.503 7.153 1.00 0.00 C ATOM 0 H ILE A 23 -4.094 18.649 3.289 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.184 17.244 5.630 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.990 16.679 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.459 18.514 7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.682 17.272 7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.158 18.314 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.417 18.618 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.327 19.635 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.470 16.439 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.036 15.532 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.795 16.794 6.610 1.00 0.00 H new ATOM 332 N GLU A 24 -5.628 19.080 7.171 1.00 0.00 N ATOM 333 CA GLU A 24 -6.069 20.170 8.025 1.00 0.00 C ATOM 334 C GLU A 24 -4.863 20.913 8.603 1.00 0.00 C ATOM 335 O GLU A 24 -3.994 20.304 9.225 1.00 0.00 O ATOM 336 CB GLU A 24 -6.983 19.657 9.140 1.00 0.00 C ATOM 337 CG GLU A 24 -7.762 20.806 9.783 1.00 0.00 C ATOM 338 CD GLU A 24 -7.986 20.550 11.275 1.00 0.00 C ATOM 339 OE1 GLU A 24 -6.972 20.332 11.972 1.00 0.00 O ATOM 340 OE2 GLU A 24 -9.167 20.577 11.684 1.00 0.00 O ATOM 0 H GLU A 24 -5.847 18.148 7.522 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.646 20.869 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.679 18.923 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.388 19.148 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.216 21.740 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.723 20.923 9.282 1.00 0.00 H new ATOM 347 N ASP A 25 -4.849 22.218 8.377 1.00 0.00 N ATOM 348 CA ASP A 25 -3.763 23.051 8.868 1.00 0.00 C ATOM 349 C ASP A 25 -3.971 23.326 10.358 1.00 0.00 C ATOM 350 O ASP A 25 -5.023 23.008 10.911 1.00 0.00 O ATOM 351 CB ASP A 25 -3.728 24.395 8.139 1.00 0.00 C ATOM 352 CG ASP A 25 -2.542 25.294 8.496 1.00 0.00 C ATOM 353 OD1 ASP A 25 -1.577 24.754 9.080 1.00 0.00 O ATOM 354 OD2 ASP A 25 -2.627 26.499 8.177 1.00 0.00 O ATOM 0 H ASP A 25 -5.572 22.720 7.861 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.826 22.522 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.713 24.208 7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.651 24.933 8.356 1.00 0.00 H new ATOM 359 N ASN A 26 -2.952 23.915 10.966 1.00 0.00 N ATOM 360 CA ASN A 26 -3.010 24.237 12.382 1.00 0.00 C ATOM 361 C ASN A 26 -3.148 25.751 12.551 1.00 0.00 C ATOM 362 O ASN A 26 -2.917 26.282 13.636 1.00 0.00 O ATOM 363 CB ASN A 26 -1.733 23.796 13.100 1.00 0.00 C ATOM 364 CG ASN A 26 -1.859 23.990 14.612 1.00 0.00 C ATOM 365 OD1 ASN A 26 -2.943 24.095 15.162 1.00 0.00 O ATOM 366 ND2 ASN A 26 -0.693 24.032 15.251 1.00 0.00 N ATOM 0 H ASN A 26 -2.081 24.178 10.504 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.864 23.714 12.812 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.531 22.748 12.880 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.885 24.369 12.726 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.670 24.159 16.263 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.178 23.938 14.729 1.00 0.00 H new ATOM 373 N GLU A 27 -3.525 26.404 11.461 1.00 0.00 N ATOM 374 CA GLU A 27 -3.697 27.847 11.475 1.00 0.00 C ATOM 375 C GLU A 27 -5.023 28.217 12.143 1.00 0.00 C ATOM 376 O GLU A 27 -5.093 29.183 12.900 1.00 0.00 O ATOM 377 CB GLU A 27 -3.616 28.422 10.060 1.00 0.00 C ATOM 378 CG GLU A 27 -4.759 27.898 9.188 1.00 0.00 C ATOM 379 CD GLU A 27 -4.726 28.536 7.798 1.00 0.00 C ATOM 380 OE1 GLU A 27 -5.355 29.606 7.650 1.00 0.00 O ATOM 381 OE2 GLU A 27 -4.072 27.939 6.915 1.00 0.00 O ATOM 0 H GLU A 27 -3.716 25.960 10.563 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.886 28.285 12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.657 29.510 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.659 28.156 9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.684 26.814 9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.714 28.112 9.667 1.00 0.00 H new ATOM 388 N ASN A 28 -6.043 27.429 11.837 1.00 0.00 N ATOM 389 CA ASN A 28 -7.364 27.661 12.397 1.00 0.00 C ATOM 390 C ASN A 28 -8.040 26.317 12.672 1.00 0.00 C ATOM 391 O ASN A 28 -9.260 26.250 12.817 1.00 0.00 O ATOM 392 CB ASN A 28 -8.246 28.444 11.423 1.00 0.00 C ATOM 393 CG ASN A 28 -7.919 29.938 11.466 1.00 0.00 C ATOM 394 OD1 ASN A 28 -8.311 30.660 12.368 1.00 0.00 O ATOM 395 ND2 ASN A 28 -7.180 30.360 10.444 1.00 0.00 N ATOM 0 H ASN A 28 -5.981 26.628 11.208 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.244 28.235 13.316 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.101 28.066 10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.296 28.291 11.674 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.908 31.341 10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.885 29.703 9.722 1.00 0.00 H new ATOM 402 N SER A 29 -7.219 25.279 12.735 1.00 0.00 N ATOM 403 CA SER A 29 -7.723 23.940 12.989 1.00 0.00 C ATOM 404 C SER A 29 -9.054 23.735 12.262 1.00 0.00 C ATOM 405 O SER A 29 -10.088 23.534 12.897 1.00 0.00 O ATOM 406 CB SER A 29 -7.895 23.692 14.490 1.00 0.00 C ATOM 407 OG SER A 29 -6.797 22.970 15.040 1.00 0.00 O ATOM 0 H SER A 29 -6.208 25.338 12.614 1.00 0.00 H new ATOM 0 HA SER A 29 -6.995 23.223 12.610 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.996 24.647 15.006 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.817 23.137 14.663 1.00 0.00 H new ATOM 0 HG SER A 29 -6.943 22.833 15.999 1.00 0.00 H new ATOM 413 N GLY A 30 -8.984 23.792 10.940 1.00 0.00 N ATOM 414 CA GLY A 30 -10.170 23.615 10.120 1.00 0.00 C ATOM 415 C GLY A 30 -9.835 23.757 8.634 1.00 0.00 C ATOM 416 O GLY A 30 -10.309 22.977 7.809 1.00 0.00 O ATOM 0 H GLY A 30 -8.124 23.958 10.417 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.602 22.632 10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.923 24.352 10.399 1.00 0.00 H new ATOM 420 N LYS A 31 -9.020 24.759 8.337 1.00 0.00 N ATOM 421 CA LYS A 31 -8.617 25.014 6.965 1.00 0.00 C ATOM 422 C LYS A 31 -7.562 23.987 6.549 1.00 0.00 C ATOM 423 O LYS A 31 -6.538 23.839 7.215 1.00 0.00 O ATOM 424 CB LYS A 31 -8.160 26.465 6.801 1.00 0.00 C ATOM 425 CG LYS A 31 -8.351 26.940 5.359 1.00 0.00 C ATOM 426 CD LYS A 31 -9.184 28.223 5.310 1.00 0.00 C ATOM 427 CE LYS A 31 -8.549 29.254 4.375 1.00 0.00 C ATOM 428 NZ LYS A 31 -9.549 29.763 3.410 1.00 0.00 N ATOM 0 H LYS A 31 -8.628 25.404 9.023 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.465 24.893 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.725 27.107 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.110 26.553 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.379 27.116 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.843 26.160 4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.194 27.992 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.273 28.642 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.143 30.081 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.714 28.802 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.102 30.462 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.917 28.973 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.332 30.212 3.926 1.00 0.00 H new ATOM 442 N PHE A 32 -7.848 23.303 5.451 1.00 0.00 N ATOM 443 CA PHE A 32 -6.936 22.294 4.938 1.00 0.00 C ATOM 444 C PHE A 32 -6.106 22.844 3.777 1.00 0.00 C ATOM 445 O PHE A 32 -6.575 23.693 3.021 1.00 0.00 O ATOM 446 CB PHE A 32 -7.794 21.133 4.431 1.00 0.00 C ATOM 447 CG PHE A 32 -8.720 20.534 5.492 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.840 21.206 5.874 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.425 19.331 6.052 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.700 20.650 6.858 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.285 18.776 7.036 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.404 19.447 7.418 1.00 0.00 C ATOM 0 H PHE A 32 -8.699 23.428 4.902 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.249 21.980 5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.397 21.480 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.139 20.349 4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.075 22.162 5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.536 18.797 5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.589 21.183 7.161 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.050 17.820 7.481 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.058 19.024 8.166 1.00 0.00 H new ATOM 462 N LEU A 33 -4.886 22.338 3.672 1.00 0.00 N ATOM 463 CA LEU A 33 -3.985 22.768 2.616 1.00 0.00 C ATOM 464 C LEU A 33 -3.967 21.715 1.507 1.00 0.00 C ATOM 465 O LEU A 33 -3.935 20.517 1.784 1.00 0.00 O ATOM 466 CB LEU A 33 -2.601 23.084 3.187 1.00 0.00 C ATOM 467 CG LEU A 33 -2.580 23.736 4.571 1.00 0.00 C ATOM 468 CD1 LEU A 33 -3.752 24.705 4.739 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.548 22.678 5.676 1.00 0.00 C ATOM 0 H LEU A 33 -4.500 21.634 4.301 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.339 23.697 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.029 22.157 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.083 23.742 2.489 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.664 24.320 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.713 25.154 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.688 25.488 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.691 24.164 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.534 23.169 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.433 22.047 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.654 22.064 5.566 1.00 0.00 H new ATOM 481 N ARG A 34 -3.988 22.199 0.274 1.00 0.00 N ATOM 482 CA ARG A 34 -3.974 21.314 -0.878 1.00 0.00 C ATOM 483 C ARG A 34 -2.536 20.951 -1.252 1.00 0.00 C ATOM 484 O ARG A 34 -1.844 21.732 -1.904 1.00 0.00 O ATOM 485 CB ARG A 34 -4.658 21.966 -2.082 1.00 0.00 C ATOM 486 CG ARG A 34 -4.762 20.985 -3.251 1.00 0.00 C ATOM 487 CD ARG A 34 -4.267 21.625 -4.550 1.00 0.00 C ATOM 488 NE ARG A 34 -4.229 20.613 -5.630 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.193 20.910 -6.936 1.00 0.00 C ATOM 490 NH1 ARG A 34 -4.192 22.190 -7.332 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.160 19.927 -7.846 1.00 0.00 N ATOM 0 H ARG A 34 -4.015 23.193 0.048 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.521 20.411 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.654 22.306 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.096 22.847 -2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.175 20.092 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.797 20.665 -3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.924 22.447 -4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.273 22.048 -4.401 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.230 19.629 -5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.219 22.938 -6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.165 22.416 -8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.162 18.953 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.133 20.153 -8.840 1.00 0.00 H new ATOM 505 N ARG A 35 -2.128 19.766 -0.822 1.00 0.00 N ATOM 506 CA ARG A 35 -0.784 19.290 -1.103 1.00 0.00 C ATOM 507 C ARG A 35 -0.839 17.973 -1.880 1.00 0.00 C ATOM 508 O ARG A 35 -1.808 17.224 -1.771 1.00 0.00 O ATOM 509 CB ARG A 35 0.008 19.080 0.189 1.00 0.00 C ATOM 510 CG ARG A 35 -0.021 20.337 1.061 1.00 0.00 C ATOM 511 CD ARG A 35 0.713 21.493 0.379 1.00 0.00 C ATOM 512 NE ARG A 35 0.777 22.659 1.290 1.00 0.00 N ATOM 513 CZ ARG A 35 -0.062 23.702 1.234 1.00 0.00 C ATOM 514 NH1 ARG A 35 -1.033 23.732 0.312 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.071 24.715 2.101 1.00 0.00 N ATOM 0 H ARG A 35 -2.704 19.121 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.282 20.049 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.409 18.239 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.040 18.823 -0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.054 20.623 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.441 20.126 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.720 21.182 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.199 21.768 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 35 1.505 22.669 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.134 22.961 -0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.672 24.526 0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.811 24.692 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.567 25.509 2.059 1.00 0.00 H new ATOM 529 N TYR A 36 0.214 17.731 -2.646 1.00 0.00 N ATOM 530 CA TYR A 36 0.298 16.517 -3.441 1.00 0.00 C ATOM 531 C TYR A 36 0.927 15.378 -2.637 1.00 0.00 C ATOM 532 O TYR A 36 2.150 15.266 -2.564 1.00 0.00 O ATOM 533 CB TYR A 36 1.207 16.851 -4.626 1.00 0.00 C ATOM 534 CG TYR A 36 1.056 15.898 -5.813 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.110 15.893 -6.551 1.00 0.00 C ATOM 536 CD2 TYR A 36 2.087 15.043 -6.147 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.252 14.996 -7.668 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.945 14.146 -7.264 1.00 0.00 C ATOM 539 CZ TYR A 36 0.783 14.167 -7.970 1.00 0.00 C ATOM 540 OH TYR A 36 0.649 13.319 -9.025 1.00 0.00 O ATOM 0 H TYR A 36 1.016 18.355 -2.733 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.695 16.193 -3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.994 17.867 -4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.244 16.836 -4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.916 16.562 -6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.000 15.047 -5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.160 14.982 -8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.744 13.471 -7.535 1.00 0.00 H new ATOM 0 HH TYR A 36 1.313 13.542 -9.710 1.00 0.00 H new ATOM 550 N PHE A 37 0.063 14.561 -2.053 1.00 0.00 N ATOM 551 CA PHE A 37 0.518 13.434 -1.257 1.00 0.00 C ATOM 552 C PHE A 37 0.930 12.262 -2.151 1.00 0.00 C ATOM 553 O PHE A 37 0.360 12.063 -3.222 1.00 0.00 O ATOM 554 CB PHE A 37 -0.658 13.001 -0.380 1.00 0.00 C ATOM 555 CG PHE A 37 -0.760 13.762 0.944 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.713 15.121 0.953 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.897 13.078 2.112 1.00 0.00 C ATOM 558 CE1 PHE A 37 -0.807 15.827 2.181 1.00 0.00 C ATOM 559 CE2 PHE A 37 -0.991 13.784 3.340 1.00 0.00 C ATOM 560 CZ PHE A 37 -0.944 15.143 3.349 1.00 0.00 C ATOM 0 H PHE A 37 -0.951 14.657 -2.115 1.00 0.00 H new ATOM 0 HA PHE A 37 1.384 13.725 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.584 13.138 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.568 11.935 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.604 15.663 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.934 11.999 2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.770 16.906 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.100 13.242 4.268 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.015 15.679 4.284 1.00 0.00 H new ATOM 570 N ILE A 38 1.918 11.517 -1.677 1.00 0.00 N ATOM 571 CA ILE A 38 2.413 10.370 -2.420 1.00 0.00 C ATOM 572 C ILE A 38 2.748 9.241 -1.443 1.00 0.00 C ATOM 573 O ILE A 38 3.658 9.373 -0.625 1.00 0.00 O ATOM 574 CB ILE A 38 3.585 10.777 -3.315 1.00 0.00 C ATOM 575 CG1 ILE A 38 3.103 11.610 -4.504 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.386 9.552 -3.759 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.256 12.406 -5.119 1.00 0.00 C ATOM 0 H ILE A 38 2.389 11.685 -0.788 1.00 0.00 H new ATOM 0 HA ILE A 38 1.644 9.991 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 38 4.257 11.407 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.666 10.955 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.317 12.292 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.213 9.869 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.778 9.036 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.738 8.876 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.886 12.989 -5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.675 13.077 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.029 11.719 -5.464 1.00 0.00 H new ATOM 589 N LEU A 39 1.995 8.158 -1.560 1.00 0.00 N ATOM 590 CA LEU A 39 2.201 7.007 -0.697 1.00 0.00 C ATOM 591 C LEU A 39 3.360 6.169 -1.240 1.00 0.00 C ATOM 592 O LEU A 39 3.199 5.437 -2.215 1.00 0.00 O ATOM 593 CB LEU A 39 0.898 6.221 -0.533 1.00 0.00 C ATOM 594 CG LEU A 39 0.813 5.314 0.697 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.845 6.135 1.987 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.418 4.407 0.625 1.00 0.00 C ATOM 0 H LEU A 39 1.241 8.053 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 39 2.482 7.328 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.071 6.930 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.752 5.608 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 39 1.690 4.667 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.783 5.466 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.775 6.702 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.000 6.823 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.455 3.773 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.319 5.019 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.358 3.782 -0.266 1.00 0.00 H new ATOM 608 N ASP A 40 4.504 6.304 -0.584 1.00 0.00 N ATOM 609 CA ASP A 40 5.690 5.568 -0.988 1.00 0.00 C ATOM 610 C ASP A 40 5.894 4.381 -0.045 1.00 0.00 C ATOM 611 O ASP A 40 6.101 4.564 1.153 1.00 0.00 O ATOM 612 CB ASP A 40 6.937 6.451 -0.914 1.00 0.00 C ATOM 613 CG ASP A 40 8.178 5.876 -1.600 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.191 4.644 -1.810 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.086 6.682 -1.899 1.00 0.00 O ATOM 0 H ASP A 40 4.634 6.912 0.224 1.00 0.00 H new ATOM 0 HA ASP A 40 5.546 5.233 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.707 7.417 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.172 6.635 0.134 1.00 0.00 H new ATOM 620 N THR A 41 5.829 3.190 -0.623 1.00 0.00 N ATOM 621 CA THR A 41 6.005 1.973 0.151 1.00 0.00 C ATOM 622 C THR A 41 7.492 1.656 0.317 1.00 0.00 C ATOM 623 O THR A 41 7.867 0.842 1.160 1.00 0.00 O ATOM 624 CB THR A 41 5.220 0.856 -0.540 1.00 0.00 C ATOM 625 OG1 THR A 41 6.078 0.429 -1.594 1.00 0.00 O ATOM 626 CG2 THR A 41 3.974 1.375 -1.261 1.00 0.00 C ATOM 0 H THR A 41 5.657 3.042 -1.617 1.00 0.00 H new ATOM 0 HA THR A 41 5.615 2.088 1.162 1.00 0.00 H new ATOM 0 HB THR A 41 4.928 0.109 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.647 -0.296 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.454 0.542 -1.734 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.311 1.855 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.268 2.098 -2.022 1.00 0.00 H new ATOM 634 N GLN A 42 8.300 2.317 -0.499 1.00 0.00 N ATOM 635 CA GLN A 42 9.738 2.116 -0.453 1.00 0.00 C ATOM 636 C GLN A 42 10.359 2.978 0.648 1.00 0.00 C ATOM 637 O GLN A 42 11.175 2.496 1.433 1.00 0.00 O ATOM 638 CB GLN A 42 10.378 2.417 -1.810 1.00 0.00 C ATOM 639 CG GLN A 42 11.843 2.825 -1.648 1.00 0.00 C ATOM 640 CD GLN A 42 12.686 2.322 -2.822 1.00 0.00 C ATOM 641 OE1 GLN A 42 12.882 1.133 -3.014 1.00 0.00 O ATOM 642 NE2 GLN A 42 13.171 3.290 -3.593 1.00 0.00 N ATOM 0 H GLN A 42 7.986 2.992 -1.196 1.00 0.00 H new ATOM 0 HA GLN A 42 9.931 1.069 -0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.311 1.538 -2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.827 3.216 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.917 3.910 -1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.235 2.421 -0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.968 4.266 -3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.746 3.057 -4.403 1.00 0.00 H new ATOM 651 N ALA A 43 9.950 4.238 0.672 1.00 0.00 N ATOM 652 CA ALA A 43 10.456 5.171 1.664 1.00 0.00 C ATOM 653 C ALA A 43 9.828 4.854 3.023 1.00 0.00 C ATOM 654 O ALA A 43 10.369 5.226 4.063 1.00 0.00 O ATOM 655 CB ALA A 43 10.170 6.604 1.210 1.00 0.00 C ATOM 0 H ALA A 43 9.273 4.635 0.020 1.00 0.00 H new ATOM 0 HA ALA A 43 11.536 5.071 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.550 7.304 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.662 6.788 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.095 6.742 1.097 1.00 0.00 H new ATOM 661 N ASN A 44 8.695 4.169 2.970 1.00 0.00 N ATOM 662 CA ASN A 44 7.987 3.798 4.184 1.00 0.00 C ATOM 663 C ASN A 44 7.558 5.065 4.927 1.00 0.00 C ATOM 664 O ASN A 44 7.390 5.047 6.145 1.00 0.00 O ATOM 665 CB ASN A 44 8.885 2.984 5.117 1.00 0.00 C ATOM 666 CG ASN A 44 8.104 2.491 6.337 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.164 1.721 6.235 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.545 2.978 7.494 1.00 0.00 N ATOM 0 H ASN A 44 8.250 3.861 2.106 1.00 0.00 H new ATOM 0 HA ASN A 44 7.122 3.198 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.299 2.132 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.727 3.595 5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.090 2.710 8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.338 3.619 7.508 1.00 0.00 H new ATOM 675 N CYS A 45 7.393 6.134 4.162 1.00 0.00 N ATOM 676 CA CYS A 45 6.987 7.407 4.732 1.00 0.00 C ATOM 677 C CYS A 45 6.163 8.161 3.686 1.00 0.00 C ATOM 678 O CYS A 45 6.430 8.060 2.490 1.00 0.00 O ATOM 679 CB CYS A 45 8.190 8.223 5.208 1.00 0.00 C ATOM 680 SG CYS A 45 9.383 7.136 6.070 1.00 0.00 S ATOM 0 H CYS A 45 7.533 6.145 3.152 1.00 0.00 H new ATOM 0 HA CYS A 45 6.376 7.233 5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.673 8.704 4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.859 9.017 5.878 1.00 0.00 H new ATOM 0 HG CYS A 45 9.982 6.375 5.203 1.00 0.00 H new ATOM 686 N LEU A 46 5.178 8.900 4.176 1.00 0.00 N ATOM 687 CA LEU A 46 4.313 9.670 3.298 1.00 0.00 C ATOM 688 C LEU A 46 4.893 11.075 3.124 1.00 0.00 C ATOM 689 O LEU A 46 5.179 11.759 4.106 1.00 0.00 O ATOM 690 CB LEU A 46 2.875 9.659 3.818 1.00 0.00 C ATOM 691 CG LEU A 46 1.824 10.285 2.899 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.205 11.720 2.530 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.591 9.417 1.661 1.00 0.00 C ATOM 0 H LEU A 46 4.960 8.982 5.169 1.00 0.00 H new ATOM 0 HA LEU A 46 4.273 9.215 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.588 8.626 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.851 10.183 4.774 1.00 0.00 H new ATOM 0 HG LEU A 46 0.880 10.331 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.442 12.142 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.280 12.321 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.165 11.720 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.840 9.885 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.524 9.316 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.243 8.431 1.968 1.00 0.00 H new ATOM 705 N LEU A 47 5.049 11.465 1.867 1.00 0.00 N ATOM 706 CA LEU A 47 5.589 12.776 1.552 1.00 0.00 C ATOM 707 C LEU A 47 4.609 13.523 0.645 1.00 0.00 C ATOM 708 O LEU A 47 4.148 12.979 -0.358 1.00 0.00 O ATOM 709 CB LEU A 47 6.996 12.649 0.963 1.00 0.00 C ATOM 710 CG LEU A 47 7.952 11.714 1.707 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.916 11.029 0.735 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.693 12.460 2.818 1.00 0.00 C ATOM 0 H LEU A 47 4.811 10.896 1.055 1.00 0.00 H new ATOM 0 HA LEU A 47 5.700 13.369 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.908 12.302 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.445 13.642 0.927 1.00 0.00 H new ATOM 0 HG LEU A 47 7.363 10.930 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.584 10.370 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.348 10.444 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.503 11.784 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.366 11.773 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.270 13.278 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.972 12.862 3.530 1.00 0.00 H new ATOM 724 N TRP A 48 4.318 14.756 1.031 1.00 0.00 N ATOM 725 CA TRP A 48 3.400 15.583 0.266 1.00 0.00 C ATOM 726 C TRP A 48 4.119 16.887 -0.086 1.00 0.00 C ATOM 727 O TRP A 48 4.918 17.391 0.701 1.00 0.00 O ATOM 728 CB TRP A 48 2.095 15.808 1.032 1.00 0.00 C ATOM 729 CG TRP A 48 2.266 16.591 2.335 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.471 17.907 2.486 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.239 16.051 3.673 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.577 18.253 3.818 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.431 17.089 4.563 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.057 14.730 4.117 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.460 16.913 5.951 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.089 14.570 5.508 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.282 15.604 6.417 1.00 0.00 C ATOM 0 H TRP A 48 4.702 15.203 1.864 1.00 0.00 H new ATOM 0 HA TRP A 48 3.112 15.084 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.395 16.341 0.389 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.647 14.840 1.258 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.544 18.609 1.668 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.734 19.191 4.188 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.904 13.903 3.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.611 17.742 6.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.954 13.574 5.902 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.295 15.399 7.477 1.00 0.00 H new ATOM 748 N TYR A 49 3.810 17.395 -1.270 1.00 0.00 N ATOM 749 CA TYR A 49 4.416 18.630 -1.736 1.00 0.00 C ATOM 750 C TYR A 49 3.360 19.579 -2.305 1.00 0.00 C ATOM 751 O TYR A 49 2.438 19.146 -2.995 1.00 0.00 O ATOM 752 CB TYR A 49 5.381 18.231 -2.854 1.00 0.00 C ATOM 753 CG TYR A 49 6.234 17.003 -2.531 1.00 0.00 C ATOM 754 CD1 TYR A 49 7.415 17.148 -1.831 1.00 0.00 C ATOM 755 CD2 TYR A 49 5.824 15.750 -2.939 1.00 0.00 C ATOM 756 CE1 TYR A 49 8.218 15.992 -1.526 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.627 14.594 -2.634 1.00 0.00 C ATOM 758 CZ TYR A 49 7.784 14.772 -1.943 1.00 0.00 C ATOM 759 OH TYR A 49 8.543 13.681 -1.656 1.00 0.00 O ATOM 0 H TYR A 49 3.147 16.973 -1.921 1.00 0.00 H new ATOM 0 HA TYR A 49 4.916 19.145 -0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.809 18.035 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.040 19.072 -3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.737 18.128 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.901 15.636 -3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.144 16.091 -0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.317 13.608 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 49 8.110 12.878 -2.014 1.00 0.00 H new ATOM 769 N MET A 50 3.529 20.856 -1.994 1.00 0.00 N ATOM 770 CA MET A 50 2.601 21.870 -2.466 1.00 0.00 C ATOM 771 C MET A 50 2.123 21.558 -3.886 1.00 0.00 C ATOM 772 O MET A 50 0.949 21.739 -4.203 1.00 0.00 O ATOM 773 CB MET A 50 3.287 23.238 -2.447 1.00 0.00 C ATOM 774 CG MET A 50 3.461 23.744 -1.013 1.00 0.00 C ATOM 775 SD MET A 50 3.076 25.485 -0.930 1.00 0.00 S ATOM 776 CE MET A 50 2.271 25.549 0.662 1.00 0.00 C ATOM 0 H MET A 50 4.294 21.212 -1.421 1.00 0.00 H new ATOM 0 HA MET A 50 1.734 21.879 -1.805 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.260 23.167 -2.932 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.696 23.953 -3.020 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.809 23.186 -0.340 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.485 23.573 -0.680 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.204 25.722 0.523 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.421 24.604 1.184 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.696 26.360 1.252 1.00 0.00 H new ATOM 786 N ASP A 51 3.059 21.096 -4.702 1.00 0.00 N ATOM 787 CA ASP A 51 2.748 20.757 -6.081 1.00 0.00 C ATOM 788 C ASP A 51 3.561 19.529 -6.495 1.00 0.00 C ATOM 789 O ASP A 51 4.530 19.168 -5.830 1.00 0.00 O ATOM 790 CB ASP A 51 3.111 21.905 -7.025 1.00 0.00 C ATOM 791 CG ASP A 51 1.941 22.804 -7.430 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.799 22.294 -7.408 1.00 0.00 O ATOM 793 OD2 ASP A 51 2.214 23.980 -7.751 1.00 0.00 O ATOM 0 H ASP A 51 4.032 20.948 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 51 1.678 20.560 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.874 22.520 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.557 21.486 -7.927 1.00 0.00 H new ATOM 798 N ASN A 52 3.135 18.920 -7.592 1.00 0.00 N ATOM 799 CA ASN A 52 3.811 17.740 -8.104 1.00 0.00 C ATOM 800 C ASN A 52 5.324 17.967 -8.065 1.00 0.00 C ATOM 801 O ASN A 52 5.789 19.096 -8.214 1.00 0.00 O ATOM 802 CB ASN A 52 3.412 17.461 -9.554 1.00 0.00 C ATOM 803 CG ASN A 52 2.464 16.263 -9.641 1.00 0.00 C ATOM 804 OD1 ASN A 52 2.857 15.116 -9.505 1.00 0.00 O ATOM 805 ND2 ASN A 52 1.197 16.592 -9.875 1.00 0.00 N ATOM 0 H ASN A 52 2.330 19.222 -8.141 1.00 0.00 H new ATOM 0 HA ASN A 52 3.525 16.892 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.930 18.342 -9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.304 17.267 -10.150 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.487 15.864 -9.951 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.935 17.572 -9.979 1.00 0.00 H new ATOM 812 N PRO A 53 6.068 16.848 -7.859 1.00 0.00 N ATOM 813 CA PRO A 53 7.518 16.914 -7.799 1.00 0.00 C ATOM 814 C PRO A 53 8.117 17.097 -9.195 1.00 0.00 C ATOM 815 O PRO A 53 9.299 17.409 -9.332 1.00 0.00 O ATOM 816 CB PRO A 53 7.944 15.614 -7.136 1.00 0.00 C ATOM 817 CG PRO A 53 6.761 14.670 -7.271 1.00 0.00 C ATOM 818 CD PRO A 53 5.551 15.494 -7.678 1.00 0.00 C ATOM 0 HA PRO A 53 7.877 17.772 -7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.830 15.201 -7.619 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.198 15.775 -6.088 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.968 13.902 -8.017 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.573 14.156 -6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.105 15.115 -8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.776 15.465 -6.912 1.00 0.00 H new ATOM 826 N GLN A 54 7.274 16.894 -10.197 1.00 0.00 N ATOM 827 CA GLN A 54 7.705 17.033 -11.578 1.00 0.00 C ATOM 828 C GLN A 54 7.805 18.512 -11.956 1.00 0.00 C ATOM 829 O GLN A 54 8.411 18.858 -12.969 1.00 0.00 O ATOM 830 CB GLN A 54 6.762 16.287 -12.524 1.00 0.00 C ATOM 831 CG GLN A 54 7.253 14.860 -12.775 1.00 0.00 C ATOM 832 CD GLN A 54 7.348 14.569 -14.274 1.00 0.00 C ATOM 833 OE1 GLN A 54 6.858 15.311 -15.109 1.00 0.00 O ATOM 834 NE2 GLN A 54 8.003 13.449 -14.567 1.00 0.00 N ATOM 0 H GLN A 54 6.295 16.634 -10.080 1.00 0.00 H new ATOM 0 HA GLN A 54 8.694 16.585 -11.677 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.759 16.261 -12.097 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.692 16.823 -13.471 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.230 14.721 -12.311 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.573 14.150 -12.305 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.389 12.873 -13.819 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.120 13.166 -15.540 1.00 0.00 H new ATOM 843 N ASN A 55 7.200 19.346 -11.123 1.00 0.00 N ATOM 844 CA ASN A 55 7.213 20.780 -11.358 1.00 0.00 C ATOM 845 C ASN A 55 8.259 21.431 -10.451 1.00 0.00 C ATOM 846 O ASN A 55 8.877 22.427 -10.825 1.00 0.00 O ATOM 847 CB ASN A 55 5.854 21.403 -11.034 1.00 0.00 C ATOM 848 CG ASN A 55 5.507 22.509 -12.033 1.00 0.00 C ATOM 849 OD1 ASN A 55 5.919 22.497 -13.181 1.00 0.00 O ATOM 850 ND2 ASN A 55 4.728 23.464 -11.533 1.00 0.00 N ATOM 0 H ASN A 55 6.697 19.056 -10.284 1.00 0.00 H new ATOM 0 HA ASN A 55 7.445 20.948 -12.410 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.082 20.633 -11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.869 21.812 -10.024 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.440 24.247 -12.120 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.418 23.413 -10.563 1.00 0.00 H new ATOM 857 N LEU A 56 8.427 20.842 -9.276 1.00 0.00 N ATOM 858 CA LEU A 56 9.388 21.352 -8.313 1.00 0.00 C ATOM 859 C LEU A 56 10.799 21.219 -8.888 1.00 0.00 C ATOM 860 O LEU A 56 10.966 20.950 -10.077 1.00 0.00 O ATOM 861 CB LEU A 56 9.208 20.663 -6.959 1.00 0.00 C ATOM 862 CG LEU A 56 7.823 20.791 -6.320 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.866 20.411 -4.839 1.00 0.00 C ATOM 864 CD2 LEU A 56 7.247 22.192 -6.536 1.00 0.00 C ATOM 0 H LEU A 56 7.913 20.016 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 56 9.217 22.413 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.434 19.604 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.945 21.069 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 56 7.152 20.088 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.869 20.511 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.204 19.380 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.556 21.072 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.263 22.256 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.909 22.931 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.158 22.388 -7.605 1.00 0.00 H new ATOM 876 N ALA A 57 11.779 21.412 -8.018 1.00 0.00 N ATOM 877 CA ALA A 57 13.171 21.317 -8.424 1.00 0.00 C ATOM 878 C ALA A 57 13.792 20.061 -7.809 1.00 0.00 C ATOM 879 O ALA A 57 13.460 19.686 -6.686 1.00 0.00 O ATOM 880 CB ALA A 57 13.911 22.592 -8.016 1.00 0.00 C ATOM 0 H ALA A 57 11.637 21.634 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 57 13.249 21.228 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.955 22.520 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.450 23.452 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.856 22.714 -6.934 1.00 0.00 H new ATOM 886 N VAL A 58 14.683 19.445 -8.573 1.00 0.00 N ATOM 887 CA VAL A 58 15.353 18.239 -8.118 1.00 0.00 C ATOM 888 C VAL A 58 15.799 18.426 -6.666 1.00 0.00 C ATOM 889 O VAL A 58 15.661 17.518 -5.849 1.00 0.00 O ATOM 890 CB VAL A 58 16.510 17.896 -9.059 1.00 0.00 C ATOM 891 CG1 VAL A 58 17.299 19.151 -9.438 1.00 0.00 C ATOM 892 CG2 VAL A 58 17.426 16.839 -8.440 1.00 0.00 C ATOM 0 H VAL A 58 14.956 19.759 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 58 14.670 17.390 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 58 16.086 17.478 -9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.115 18.879 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.639 19.858 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.706 19.611 -8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 58 18.240 16.614 -9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.838 17.217 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.854 15.932 -8.245 1.00 0.00 H new ATOM 902 N GLY A 59 16.325 19.611 -6.390 1.00 0.00 N ATOM 903 CA GLY A 59 16.793 19.928 -5.052 1.00 0.00 C ATOM 904 C GLY A 59 15.649 20.456 -4.183 1.00 0.00 C ATOM 905 O GLY A 59 15.846 21.361 -3.374 1.00 0.00 O ATOM 0 H GLY A 59 16.437 20.363 -7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.223 19.038 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.587 20.673 -5.107 1.00 0.00 H new ATOM 909 N ALA A 60 14.479 19.867 -4.379 1.00 0.00 N ATOM 910 CA ALA A 60 13.304 20.266 -3.624 1.00 0.00 C ATOM 911 C ALA A 60 13.129 19.329 -2.427 1.00 0.00 C ATOM 912 O ALA A 60 13.633 18.206 -2.435 1.00 0.00 O ATOM 913 CB ALA A 60 12.082 20.270 -4.544 1.00 0.00 C ATOM 0 H ALA A 60 14.319 19.116 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 60 13.423 21.278 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.201 20.569 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.244 20.973 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.929 19.270 -4.951 1.00 0.00 H new ATOM 919 N GLY A 61 12.415 19.824 -1.427 1.00 0.00 N ATOM 920 CA GLY A 61 12.168 19.045 -0.226 1.00 0.00 C ATOM 921 C GLY A 61 10.696 18.639 -0.128 1.00 0.00 C ATOM 922 O GLY A 61 10.065 18.333 -1.139 1.00 0.00 O ATOM 0 H GLY A 61 11.999 20.756 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.795 18.153 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.448 19.626 0.653 1.00 0.00 H new ATOM 926 N ALA A 62 10.192 18.649 1.097 1.00 0.00 N ATOM 927 CA ALA A 62 8.807 18.286 1.340 1.00 0.00 C ATOM 928 C ALA A 62 8.196 19.263 2.346 1.00 0.00 C ATOM 929 O ALA A 62 8.777 19.516 3.401 1.00 0.00 O ATOM 930 CB ALA A 62 8.735 16.835 1.819 1.00 0.00 C ATOM 0 H ALA A 62 10.719 18.903 1.933 1.00 0.00 H new ATOM 0 HA ALA A 62 8.226 18.355 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.695 16.563 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.153 16.179 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.305 16.728 2.742 1.00 0.00 H new ATOM 936 N VAL A 63 7.034 19.786 1.985 1.00 0.00 N ATOM 937 CA VAL A 63 6.339 20.730 2.844 1.00 0.00 C ATOM 938 C VAL A 63 5.863 20.009 4.107 1.00 0.00 C ATOM 939 O VAL A 63 5.483 20.649 5.086 1.00 0.00 O ATOM 940 CB VAL A 63 5.199 21.398 2.072 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.147 20.371 1.650 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.568 22.525 2.893 1.00 0.00 C ATOM 0 H VAL A 63 6.556 19.574 1.109 1.00 0.00 H new ATOM 0 HA VAL A 63 7.012 21.527 3.159 1.00 0.00 H new ATOM 0 HB VAL A 63 5.619 21.837 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.348 20.872 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.609 19.619 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.733 19.889 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.761 22.983 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.170 22.119 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.324 23.277 3.120 1.00 0.00 H new ATOM 952 N GLY A 64 5.899 18.686 4.044 1.00 0.00 N ATOM 953 CA GLY A 64 5.476 17.871 5.170 1.00 0.00 C ATOM 954 C GLY A 64 5.663 16.382 4.871 1.00 0.00 C ATOM 955 O GLY A 64 5.444 15.940 3.744 1.00 0.00 O ATOM 0 H GLY A 64 6.215 18.158 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.050 18.142 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.429 18.071 5.395 1.00 0.00 H new ATOM 959 N SER A 65 6.067 15.651 5.899 1.00 0.00 N ATOM 960 CA SER A 65 6.286 14.221 5.760 1.00 0.00 C ATOM 961 C SER A 65 5.573 13.471 6.886 1.00 0.00 C ATOM 962 O SER A 65 5.229 14.060 7.910 1.00 0.00 O ATOM 963 CB SER A 65 7.780 13.890 5.765 1.00 0.00 C ATOM 964 OG SER A 65 8.425 14.349 6.949 1.00 0.00 O ATOM 0 H SER A 65 6.248 16.022 6.832 1.00 0.00 H new ATOM 0 HA SER A 65 5.874 13.903 4.802 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.913 12.812 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.255 14.343 4.895 1.00 0.00 H new ATOM 0 HG SER A 65 9.376 14.117 6.914 1.00 0.00 H new ATOM 970 N LEU A 66 5.371 12.181 6.660 1.00 0.00 N ATOM 971 CA LEU A 66 4.704 11.344 7.643 1.00 0.00 C ATOM 972 C LEU A 66 5.356 9.959 7.652 1.00 0.00 C ATOM 973 O LEU A 66 5.458 9.310 6.613 1.00 0.00 O ATOM 974 CB LEU A 66 3.197 11.312 7.386 1.00 0.00 C ATOM 975 CG LEU A 66 2.315 11.886 8.497 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.844 11.901 8.076 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.527 11.131 9.810 1.00 0.00 C ATOM 0 H LEU A 66 5.658 11.695 5.810 1.00 0.00 H new ATOM 0 HA LEU A 66 4.824 11.761 8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.993 11.862 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.900 10.278 7.211 1.00 0.00 H new ATOM 0 HG LEU A 66 2.612 12.921 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.239 12.313 8.883 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.727 12.516 7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.517 10.884 7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.888 11.559 10.583 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.273 10.080 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.570 11.215 10.114 1.00 0.00 H new ATOM 989 N GLN A 67 5.778 9.548 8.839 1.00 0.00 N ATOM 990 CA GLN A 67 6.417 8.252 8.998 1.00 0.00 C ATOM 991 C GLN A 67 5.361 7.153 9.134 1.00 0.00 C ATOM 992 O GLN A 67 4.542 7.184 10.051 1.00 0.00 O ATOM 993 CB GLN A 67 7.366 8.252 10.197 1.00 0.00 C ATOM 994 CG GLN A 67 8.035 9.617 10.368 1.00 0.00 C ATOM 995 CD GLN A 67 8.419 10.212 9.012 1.00 0.00 C ATOM 996 OE1 GLN A 67 7.813 11.152 8.523 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.457 9.615 8.433 1.00 0.00 N ATOM 0 H GLN A 67 5.690 10.089 9.699 1.00 0.00 H new ATOM 0 HA GLN A 67 7.011 8.050 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.814 7.998 11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.128 7.484 10.062 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.359 10.295 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.925 9.515 10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.919 8.833 8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.791 9.939 7.525 1.00 0.00 H new ATOM 1006 N LEU A 68 5.414 6.208 8.206 1.00 0.00 N ATOM 1007 CA LEU A 68 4.472 5.102 8.211 1.00 0.00 C ATOM 1008 C LEU A 68 4.630 4.309 9.510 1.00 0.00 C ATOM 1009 O LEU A 68 3.733 3.563 9.899 1.00 0.00 O ATOM 1010 CB LEU A 68 4.636 4.253 6.949 1.00 0.00 C ATOM 1011 CG LEU A 68 4.288 4.942 5.627 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.294 3.942 4.469 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.958 5.690 5.733 1.00 0.00 C ATOM 0 H LEU A 68 6.094 6.186 7.446 1.00 0.00 H new ATOM 0 HA LEU A 68 3.448 5.474 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.670 3.911 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.012 3.365 7.049 1.00 0.00 H new ATOM 0 HG LEU A 68 5.058 5.684 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.044 4.457 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.284 3.495 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.559 3.160 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.734 6.171 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.163 4.986 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.028 6.447 6.514 1.00 0.00 H new ATOM 1025 N THR A 69 5.778 4.497 10.145 1.00 0.00 N ATOM 1026 CA THR A 69 6.065 3.808 11.392 1.00 0.00 C ATOM 1027 C THR A 69 5.103 4.269 12.489 1.00 0.00 C ATOM 1028 O THR A 69 4.943 3.592 13.504 1.00 0.00 O ATOM 1029 CB THR A 69 7.537 4.046 11.735 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.769 3.211 12.866 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.796 5.461 12.256 1.00 0.00 C ATOM 0 H THR A 69 6.520 5.116 9.819 1.00 0.00 H new ATOM 0 HA THR A 69 5.908 2.734 11.296 1.00 0.00 H new ATOM 0 HB THR A 69 8.149 3.868 10.851 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.701 3.302 13.154 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.856 5.576 12.484 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.507 6.187 11.496 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.210 5.629 13.160 1.00 0.00 H new ATOM 1039 N TYR A 70 4.488 5.418 12.248 1.00 0.00 N ATOM 1040 CA TYR A 70 3.546 5.976 13.203 1.00 0.00 C ATOM 1041 C TYR A 70 2.125 5.482 12.926 1.00 0.00 C ATOM 1042 O TYR A 70 1.414 5.079 13.845 1.00 0.00 O ATOM 1043 CB TYR A 70 3.594 7.493 13.004 1.00 0.00 C ATOM 1044 CG TYR A 70 4.851 8.156 13.570 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.368 7.737 14.779 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.469 9.173 12.871 1.00 0.00 C ATOM 1047 CE1 TYR A 70 6.551 8.361 15.312 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.653 9.797 13.403 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.135 9.360 14.597 1.00 0.00 C ATOM 1050 OH TYR A 70 8.253 9.949 15.100 1.00 0.00 O ATOM 0 H TYR A 70 4.624 5.977 11.406 1.00 0.00 H new ATOM 0 HA TYR A 70 3.807 5.678 14.218 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.529 7.711 11.938 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.718 7.939 13.474 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.885 6.941 15.326 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.065 9.501 11.925 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.965 8.043 16.258 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.147 10.594 12.866 1.00 0.00 H new ATOM 0 HH TYR A 70 8.562 10.645 14.483 1.00 0.00 H new ATOM 1060 N ILE A 71 1.754 5.528 11.655 1.00 0.00 N ATOM 1061 CA ILE A 71 0.431 5.090 11.245 1.00 0.00 C ATOM 1062 C ILE A 71 0.214 3.644 11.698 1.00 0.00 C ATOM 1063 O ILE A 71 1.105 2.807 11.561 1.00 0.00 O ATOM 1064 CB ILE A 71 0.239 5.298 9.742 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.276 6.786 9.386 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.044 4.624 9.254 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.570 7.142 8.651 1.00 0.00 C ATOM 0 H ILE A 71 2.347 5.862 10.895 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.337 5.695 11.728 1.00 0.00 H new ATOM 0 HB ILE A 71 1.070 4.821 9.222 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.582 7.036 8.761 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.193 7.383 10.294 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.156 4.788 8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.992 3.554 9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.900 5.050 9.777 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.571 8.205 8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.425 6.914 9.288 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.638 6.561 7.731 1.00 0.00 H new ATOM 1079 N SER A 72 -0.974 3.396 12.228 1.00 0.00 N ATOM 1080 CA SER A 72 -1.319 2.066 12.701 1.00 0.00 C ATOM 1081 C SER A 72 -2.569 1.561 11.978 1.00 0.00 C ATOM 1082 O SER A 72 -2.647 0.390 11.609 1.00 0.00 O ATOM 1083 CB SER A 72 -1.543 2.062 14.215 1.00 0.00 C ATOM 1084 OG SER A 72 -0.422 2.584 14.922 1.00 0.00 O ATOM 0 H SER A 72 -1.710 4.093 12.341 1.00 0.00 H new ATOM 0 HA SER A 72 -0.486 1.398 12.482 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.428 2.652 14.452 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.740 1.044 14.550 1.00 0.00 H new ATOM 0 HG SER A 72 -0.605 2.566 15.885 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.517 2.469 11.797 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.760 2.130 11.125 1.00 0.00 C ATOM 1092 C LYS A 73 -5.291 3.364 10.392 1.00 0.00 C ATOM 1093 O LYS A 73 -5.081 4.492 10.836 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.757 1.526 12.115 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.187 1.616 11.577 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.041 0.456 12.093 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.645 0.785 13.460 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.225 -0.215 14.467 1.00 0.00 N ATOM 0 H LYS A 73 -3.449 3.439 12.104 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.589 1.361 10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.501 0.484 12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.690 2.049 13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.634 2.563 11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.171 1.604 10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.838 0.242 11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.431 -0.444 12.168 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.329 1.780 13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.733 0.803 13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.644 0.023 15.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.548 -1.159 14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.188 -0.213 14.547 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.969 3.107 9.283 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.532 4.183 8.485 1.00 0.00 C ATOM 1114 C VAL A 74 -8.011 3.897 8.222 1.00 0.00 C ATOM 1115 O VAL A 74 -8.349 3.139 7.314 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.720 4.361 7.200 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.216 5.568 6.401 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.226 4.484 7.508 1.00 0.00 C ATOM 0 H VAL A 74 -6.141 2.170 8.918 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.475 5.129 9.024 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.864 3.471 6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.622 5.672 5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.263 5.423 6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.116 6.470 7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.672 4.610 6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.057 5.348 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.884 3.582 8.015 1.00 0.00 H new ATOM 1128 N SER A 75 -8.855 4.518 9.033 1.00 0.00 N ATOM 1129 CA SER A 75 -10.290 4.340 8.899 1.00 0.00 C ATOM 1130 C SER A 75 -10.948 5.663 8.504 1.00 0.00 C ATOM 1131 O SER A 75 -10.341 6.725 8.635 1.00 0.00 O ATOM 1132 CB SER A 75 -10.903 3.810 10.198 1.00 0.00 C ATOM 1133 OG SER A 75 -12.314 3.646 10.094 1.00 0.00 O ATOM 0 H SER A 75 -8.572 5.145 9.786 1.00 0.00 H new ATOM 0 HA SER A 75 -10.471 3.604 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.445 2.854 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.677 4.498 11.013 1.00 0.00 H new ATOM 0 HG SER A 75 -12.667 3.305 10.942 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.180 5.557 8.029 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.926 6.732 7.613 1.00 0.00 C ATOM 1141 C ILE A 76 -13.369 7.513 8.852 1.00 0.00 C ATOM 1142 O ILE A 76 -13.897 6.934 9.800 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.081 6.336 6.691 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.590 5.440 5.552 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.817 7.572 6.171 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.404 6.078 4.826 1.00 0.00 C ATOM 0 H ILE A 76 -12.681 4.675 7.923 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.293 7.396 7.025 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.798 5.756 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.298 4.468 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.402 5.265 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.633 7.262 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.220 8.136 7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.124 8.200 5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.074 5.421 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.706 7.039 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.585 6.229 5.530 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.138 8.817 8.804 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.507 9.684 9.911 1.00 0.00 C ATOM 1160 C ALA A 77 -15.022 9.627 10.115 1.00 0.00 C ATOM 1161 O ALA A 77 -15.761 9.253 9.205 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.009 11.104 9.635 1.00 0.00 C ATOM 0 H ALA A 77 -12.700 9.294 8.016 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.037 9.347 10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.286 11.754 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.924 11.095 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.462 11.476 8.716 1.00 0.00 H new ATOM 1168 N THR A 78 -15.440 10.002 11.314 1.00 0.00 N ATOM 1169 CA THR A 78 -16.854 9.998 11.649 1.00 0.00 C ATOM 1170 C THR A 78 -17.326 11.414 11.985 1.00 0.00 C ATOM 1171 O THR A 78 -16.514 12.328 12.119 1.00 0.00 O ATOM 1172 CB THR A 78 -17.067 9.000 12.789 1.00 0.00 C ATOM 1173 OG1 THR A 78 -16.847 9.769 13.969 1.00 0.00 O ATOM 1174 CG2 THR A 78 -15.980 7.925 12.837 1.00 0.00 C ATOM 0 H THR A 78 -14.824 10.311 12.066 1.00 0.00 H new ATOM 0 HA THR A 78 -17.461 9.679 10.801 1.00 0.00 H new ATOM 0 HB THR A 78 -18.042 8.525 12.678 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.966 9.200 14.758 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.179 7.243 13.664 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.977 7.368 11.900 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.008 8.397 12.982 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.673 11.555 12.115 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.263 12.844 12.433 1.00 0.00 C ATOM 1184 C PRO A 79 -19.049 13.197 13.906 1.00 0.00 C ATOM 1185 O PRO A 79 -19.430 14.279 14.351 1.00 0.00 O ATOM 1186 CB PRO A 79 -20.731 12.707 12.063 1.00 0.00 C ATOM 1187 CG PRO A 79 -21.004 11.214 11.990 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.665 10.495 11.964 1.00 0.00 C ATOM 0 HA PRO A 79 -18.802 13.664 11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.368 13.185 12.808 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -20.940 13.190 11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.594 10.892 12.848 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.583 10.975 11.098 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.591 9.766 12.771 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.525 9.952 11.029 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.439 12.265 14.623 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.169 12.464 16.036 1.00 0.00 C ATOM 1198 C LYS A 80 -16.770 13.060 16.205 1.00 0.00 C ATOM 1199 O LYS A 80 -16.367 13.401 17.316 1.00 0.00 O ATOM 1200 CB LYS A 80 -18.379 11.161 16.811 1.00 0.00 C ATOM 1201 CG LYS A 80 -19.195 11.404 18.082 1.00 0.00 C ATOM 1202 CD LYS A 80 -19.945 10.139 18.503 1.00 0.00 C ATOM 1203 CE LYS A 80 -19.043 9.213 19.321 1.00 0.00 C ATOM 1204 NZ LYS A 80 -18.469 8.155 18.460 1.00 0.00 N ATOM 0 H LYS A 80 -18.124 11.369 14.251 1.00 0.00 H new ATOM 0 HA LYS A 80 -18.874 13.178 16.461 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.892 10.436 16.179 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.413 10.729 17.072 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.534 11.724 18.887 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.906 12.213 17.913 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -20.822 10.411 19.091 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -20.305 9.614 17.618 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.241 9.790 19.781 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.615 8.760 20.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.859 7.535 19.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.238 7.594 18.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.906 8.591 17.702 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.069 13.168 15.087 1.00 0.00 N ATOM 1219 CA GLN A 81 -14.724 13.718 15.097 1.00 0.00 C ATOM 1220 C GLN A 81 -14.646 14.948 14.190 1.00 0.00 C ATOM 1221 O GLN A 81 -14.339 16.046 14.653 1.00 0.00 O ATOM 1222 CB GLN A 81 -13.697 12.663 14.679 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.286 11.796 15.870 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.183 10.811 15.477 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -12.050 10.414 14.331 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -11.402 10.442 16.488 1.00 0.00 N ATOM 0 H GLN A 81 -16.407 12.884 14.167 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.486 14.026 16.115 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.116 12.034 13.894 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.818 13.152 14.260 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.938 12.432 16.684 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.152 11.248 16.242 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.569 10.813 17.423 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.636 9.788 16.328 1.00 0.00 H new ATOM 1235 N LYS A 82 -14.930 14.723 12.916 1.00 0.00 N ATOM 1236 CA LYS A 82 -14.896 15.800 11.940 1.00 0.00 C ATOM 1237 C LYS A 82 -16.008 15.585 10.911 1.00 0.00 C ATOM 1238 O LYS A 82 -15.764 15.048 9.832 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.501 15.920 11.323 1.00 0.00 C ATOM 1240 CG LYS A 82 -12.681 17.003 12.027 1.00 0.00 C ATOM 1241 CD LYS A 82 -13.064 18.395 11.522 1.00 0.00 C ATOM 1242 CE LYS A 82 -11.823 19.184 11.096 1.00 0.00 C ATOM 1243 NZ LYS A 82 -12.124 20.632 11.039 1.00 0.00 N ATOM 0 H LYS A 82 -15.185 13.811 12.536 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.089 16.758 12.423 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.984 14.963 11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.588 16.156 10.262 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.843 16.945 13.103 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.619 16.829 11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.749 18.304 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.593 18.937 12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.010 19.003 11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.482 18.839 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.077 20.958 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.078 20.803 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.428 21.154 11.609 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.236 16.026 11.292 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.386 15.888 10.414 1.00 0.00 C ATOM 1259 C PRO A 83 -18.334 16.909 9.276 1.00 0.00 C ATOM 1260 O PRO A 83 -17.373 17.669 9.164 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.595 16.067 11.318 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.080 16.758 12.571 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.562 16.666 12.563 1.00 0.00 C ATOM 0 HA PRO A 83 -18.419 14.920 9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.363 16.666 10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.047 15.105 11.560 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.399 17.800 12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.487 16.283 13.464 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.105 17.653 12.638 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.196 16.080 13.406 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.378 16.893 8.461 1.00 0.00 N ATOM 1272 CA LYS A 84 -19.463 17.808 7.336 1.00 0.00 C ATOM 1273 C LYS A 84 -18.470 17.375 6.256 1.00 0.00 C ATOM 1274 O LYS A 84 -18.222 18.114 5.304 1.00 0.00 O ATOM 1275 CB LYS A 84 -19.272 19.252 7.804 1.00 0.00 C ATOM 1276 CG LYS A 84 -19.959 19.488 9.151 1.00 0.00 C ATOM 1277 CD LYS A 84 -20.637 20.859 9.188 1.00 0.00 C ATOM 1278 CE LYS A 84 -19.606 21.976 9.356 1.00 0.00 C ATOM 1279 NZ LYS A 84 -20.197 23.285 8.997 1.00 0.00 N ATOM 0 H LYS A 84 -20.172 16.261 8.557 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.457 17.771 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.208 19.472 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.679 19.936 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.699 18.707 9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.226 19.419 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -21.201 21.015 8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.352 20.893 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.252 22.000 10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.739 21.777 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.484 24.032 9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -20.513 23.263 8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -21.010 23.480 9.615 1.00 0.00 H new ATOM 1293 N THR A 85 -17.930 16.180 6.439 1.00 0.00 N ATOM 1294 CA THR A 85 -16.969 15.640 5.492 1.00 0.00 C ATOM 1295 C THR A 85 -17.422 14.264 4.999 1.00 0.00 C ATOM 1296 O THR A 85 -17.492 13.314 5.776 1.00 0.00 O ATOM 1297 CB THR A 85 -15.597 15.620 6.169 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.815 14.894 7.375 1.00 0.00 O ATOM 1299 CG2 THR A 85 -15.159 17.007 6.644 1.00 0.00 C ATOM 0 H THR A 85 -18.139 15.570 7.229 1.00 0.00 H new ATOM 0 HA THR A 85 -16.899 16.264 4.601 1.00 0.00 H new ATOM 0 HB THR A 85 -14.856 15.222 5.476 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.857 15.518 8.129 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.179 16.937 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.102 17.683 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.883 17.391 7.363 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.727 14.201 3.675 1.00 0.00 N ATOM 1308 CA PRO A 86 -18.172 12.958 3.068 1.00 0.00 C ATOM 1309 C PRO A 86 -17.002 11.990 2.881 1.00 0.00 C ATOM 1310 O PRO A 86 -16.933 10.958 3.546 1.00 0.00 O ATOM 1311 CB PRO A 86 -18.818 13.370 1.755 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.301 14.768 1.457 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.657 15.306 2.724 1.00 0.00 C ATOM 0 HA PRO A 86 -18.882 12.415 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.554 12.677 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.905 13.365 1.836 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.577 14.742 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -19.117 15.417 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.625 15.610 2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.187 16.183 3.096 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.111 12.357 1.971 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.948 11.534 1.688 1.00 0.00 C ATOM 1323 C PHE A 87 -13.734 12.006 2.491 1.00 0.00 C ATOM 1324 O PHE A 87 -12.833 12.641 1.946 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.646 11.684 0.196 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.881 11.967 -0.663 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.828 11.005 -0.830 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.031 13.180 -1.260 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.973 11.267 -1.627 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.176 13.442 -2.057 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.123 12.480 -2.224 1.00 0.00 C ATOM 0 H PHE A 87 -16.172 13.213 1.420 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.150 10.498 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.928 12.493 0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.169 10.772 -0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.709 10.042 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.279 13.944 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.725 10.503 -1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.295 14.405 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.994 12.679 -2.831 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.750 11.676 3.774 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.661 12.057 4.658 1.00 0.00 C ATOM 1343 C CYS A 88 -12.235 10.823 5.456 1.00 0.00 C ATOM 1344 O CYS A 88 -13.078 10.047 5.904 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.056 13.219 5.572 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.356 14.784 4.932 1.00 0.00 S ATOM 0 H CYS A 88 -14.499 11.149 4.223 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.818 12.415 4.067 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.142 13.294 5.630 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.694 13.036 6.584 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.066 14.780 5.092 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.927 10.680 5.610 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.379 9.554 6.346 1.00 0.00 C ATOM 1354 C PHE A 89 -9.412 10.027 7.433 1.00 0.00 C ATOM 1355 O PHE A 89 -8.700 11.013 7.249 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.613 8.692 5.340 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.409 9.394 4.708 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.227 9.452 5.379 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.521 9.961 3.477 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.109 10.103 4.793 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.403 10.612 2.891 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.221 10.670 3.561 1.00 0.00 C ATOM 0 H PHE A 89 -10.231 11.326 5.237 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.183 8.999 6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.271 7.786 5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.296 8.381 4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.139 9.003 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.460 9.916 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.170 10.148 5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.492 11.061 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.371 11.166 3.115 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.419 9.303 8.543 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.552 9.637 9.660 1.00 0.00 C ATOM 1374 C VAL A 90 -7.416 8.615 9.741 1.00 0.00 C ATOM 1375 O VAL A 90 -7.662 7.414 9.839 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.370 9.725 10.949 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.485 9.501 12.177 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.107 11.063 11.041 1.00 0.00 C ATOM 0 H VAL A 90 -10.012 8.486 8.692 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.098 10.617 9.512 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.117 8.932 10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.092 9.569 13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.028 8.513 12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.704 10.261 12.206 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.681 11.099 11.967 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.384 11.878 11.030 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.782 11.166 10.191 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.196 9.129 9.698 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.021 8.277 9.765 1.00 0.00 C ATOM 1390 C ILE A 91 -4.652 8.040 11.231 1.00 0.00 C ATOM 1391 O ILE A 91 -4.120 8.930 11.892 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.882 8.866 8.931 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.060 8.536 7.448 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.521 8.410 9.461 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.166 9.421 6.578 1.00 0.00 C ATOM 0 H ILE A 91 -5.995 10.126 9.618 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.233 7.302 9.327 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.916 9.951 9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.819 7.487 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.103 8.675 7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.729 8.843 8.850 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.404 8.739 10.494 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.459 7.323 9.417 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.312 9.166 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.426 10.468 6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.122 9.261 6.848 1.00 0.00 H new ATOM 1407 N ASN A 92 -4.948 6.835 11.696 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.654 6.470 13.071 1.00 0.00 C ATOM 1409 C ASN A 92 -3.177 6.087 13.188 1.00 0.00 C ATOM 1410 O ASN A 92 -2.696 5.226 12.453 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.490 5.268 13.513 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.332 5.608 14.745 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.840 6.096 15.749 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.624 5.325 14.612 1.00 0.00 N ATOM 0 H ASN A 92 -5.389 6.099 11.144 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.890 7.325 13.704 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.142 4.955 12.698 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.834 4.427 13.737 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.269 5.516 15.378 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.970 4.917 13.743 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.499 6.746 14.116 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.087 6.485 14.338 1.00 0.00 C ATOM 1423 C ALA A 93 -0.870 6.089 15.800 1.00 0.00 C ATOM 1424 O ALA A 93 -1.743 5.483 16.419 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.272 7.717 13.941 1.00 0.00 C ATOM 0 H ALA A 93 -2.901 7.460 14.723 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.748 5.655 13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.787 7.522 14.107 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.439 7.939 12.887 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.583 8.569 14.545 1.00 0.00 H new ATOM 1431 N LEU A 94 0.299 6.448 16.310 1.00 0.00 N ATOM 1432 CA LEU A 94 0.642 6.138 17.687 1.00 0.00 C ATOM 1433 C LEU A 94 -0.590 6.335 18.572 1.00 0.00 C ATOM 1434 O LEU A 94 -1.046 5.397 19.225 1.00 0.00 O ATOM 1435 CB LEU A 94 1.857 6.954 18.134 1.00 0.00 C ATOM 1436 CG LEU A 94 3.091 6.866 17.234 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.359 7.237 18.006 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.199 5.486 16.584 1.00 0.00 C ATOM 0 H LEU A 94 1.021 6.951 15.794 1.00 0.00 H new ATOM 0 HA LEU A 94 0.938 5.093 17.779 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.560 8.000 18.209 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.139 6.630 19.136 1.00 0.00 H new ATOM 0 HG LEU A 94 2.979 7.592 16.429 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.222 7.166 17.344 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.272 8.257 18.381 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.488 6.552 18.844 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.085 5.451 15.950 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.277 4.724 17.359 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.312 5.298 15.979 1.00 0.00 H new ATOM 1450 N SER A 95 -1.095 7.560 18.564 1.00 0.00 N ATOM 1451 CA SER A 95 -2.266 7.892 19.358 1.00 0.00 C ATOM 1452 C SER A 95 -2.858 9.221 18.887 1.00 0.00 C ATOM 1453 O SER A 95 -3.347 10.009 19.695 1.00 0.00 O ATOM 1454 CB SER A 95 -1.920 7.963 20.847 1.00 0.00 C ATOM 1455 OG SER A 95 -0.661 8.592 21.073 1.00 0.00 O ATOM 0 H SER A 95 -0.715 8.335 18.020 1.00 0.00 H new ATOM 0 HA SER A 95 -3.006 7.103 19.222 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.700 8.512 21.375 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.902 6.956 21.264 1.00 0.00 H new ATOM 0 HG SER A 95 -0.477 8.620 22.035 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.794 9.431 17.580 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.318 10.651 16.991 1.00 0.00 C ATOM 1463 C GLN A 96 -4.246 10.320 15.821 1.00 0.00 C ATOM 1464 O GLN A 96 -4.382 9.158 15.441 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.183 11.576 16.546 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.189 12.878 17.351 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.057 13.805 16.903 1.00 0.00 C ATOM 1468 OE1 GLN A 96 0.090 13.658 17.292 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.442 14.764 16.066 1.00 0.00 N ATOM 0 H GLN A 96 -2.387 8.776 16.912 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.896 11.178 17.750 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.226 11.070 16.673 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.287 11.800 15.484 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.147 13.382 17.227 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.082 12.654 18.412 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.419 14.830 15.781 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.760 15.434 15.709 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.861 11.363 15.282 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.772 11.197 14.162 1.00 0.00 C ATOM 1480 C ARG A 97 -5.673 12.395 13.216 1.00 0.00 C ATOM 1481 O ARG A 97 -6.099 13.498 13.557 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.217 11.056 14.645 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.439 11.828 15.947 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.790 12.547 15.935 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.636 13.922 16.459 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.650 14.671 16.913 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.898 14.182 16.909 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.417 15.909 17.370 1.00 0.00 N ATOM 0 H ARG A 97 -4.746 12.325 15.600 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.486 10.287 13.633 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.898 11.426 13.878 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.452 10.003 14.798 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.396 11.142 16.793 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.638 12.554 16.085 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.186 12.578 14.920 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.510 11.997 16.541 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.699 14.325 16.476 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.076 13.240 16.560 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.670 14.752 17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.467 16.281 17.372 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.189 16.479 17.715 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.108 12.139 12.045 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.948 13.182 11.046 1.00 0.00 C ATOM 1504 C TYR A 98 -6.170 13.255 10.129 1.00 0.00 C ATOM 1505 O TYR A 98 -6.547 12.261 9.511 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.725 12.787 10.216 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.411 12.799 11.000 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -1.661 13.955 11.072 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.976 11.654 11.635 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.424 13.967 11.809 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.739 11.665 12.373 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.024 12.821 12.423 1.00 0.00 C ATOM 1513 OH TYR A 98 1.144 12.832 13.120 1.00 0.00 O ATOM 0 H TYR A 98 -4.755 11.224 11.766 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.833 14.155 11.523 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.883 11.789 9.807 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.638 13.468 9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.002 14.851 10.575 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.563 10.749 11.579 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.172 14.865 11.873 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.387 10.776 12.875 1.00 0.00 H new ATOM 0 HH TYR A 98 1.303 11.945 13.506 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.755 14.443 10.069 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.927 14.659 9.237 1.00 0.00 C ATOM 1525 C PHE A 99 -7.528 15.160 7.848 1.00 0.00 C ATOM 1526 O PHE A 99 -6.972 16.249 7.713 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.775 15.728 9.929 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.425 15.261 11.232 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.002 14.031 11.301 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.426 16.075 12.322 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.605 13.597 12.511 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.030 15.640 13.532 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.606 14.411 13.601 1.00 0.00 C ATOM 0 H PHE A 99 -6.439 15.266 10.583 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.473 13.724 9.113 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.148 16.595 10.138 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.556 16.057 9.243 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.001 13.385 10.436 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.968 17.051 12.267 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.063 12.620 12.566 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.031 16.286 14.397 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.065 14.081 14.521 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.827 14.342 6.850 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.507 14.689 5.476 1.00 0.00 C ATOM 1545 C LEU A 100 -8.777 14.611 4.626 1.00 0.00 C ATOM 1546 O LEU A 100 -9.689 13.846 4.934 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.364 13.816 4.955 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.082 13.821 5.791 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.226 12.924 7.022 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.871 13.436 4.939 1.00 0.00 C ATOM 0 H LEU A 100 -8.288 13.439 6.966 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.145 15.716 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.722 12.789 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.117 14.141 3.944 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.913 14.836 6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.301 12.946 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.048 13.285 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.432 11.902 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.973 13.447 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.017 12.437 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.759 14.150 4.123 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.795 15.413 3.571 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.937 15.444 2.674 1.00 0.00 C ATOM 1564 C GLN A 101 -9.495 15.141 1.241 1.00 0.00 C ATOM 1565 O GLN A 101 -8.511 15.700 0.760 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.658 16.792 2.752 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.955 16.767 1.940 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.431 18.186 1.624 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.852 18.898 0.821 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.516 18.556 2.299 1.00 0.00 N ATOM 0 H GLN A 101 -8.037 16.046 3.318 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.641 14.673 2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.880 17.030 3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.005 17.580 2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.797 16.218 1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.727 16.236 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.952 17.910 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.912 19.485 2.158 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.245 14.256 0.600 1.00 0.00 N ATOM 1580 CA ALA A 102 -9.942 13.871 -0.768 1.00 0.00 C ATOM 1581 C ALA A 102 -10.762 14.735 -1.729 1.00 0.00 C ATOM 1582 O ALA A 102 -11.436 15.673 -1.306 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.215 12.377 -0.951 1.00 0.00 C ATOM 0 H ALA A 102 -11.061 13.795 1.002 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.888 14.039 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.988 12.089 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.588 11.806 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.264 12.170 -0.740 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.678 14.388 -3.005 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.404 15.119 -4.029 1.00 0.00 C ATOM 1591 C ASN A 103 -12.763 14.456 -4.258 1.00 0.00 C ATOM 1592 O ASN A 103 -13.801 15.109 -4.157 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.643 15.109 -5.357 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.743 16.339 -5.483 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.033 17.282 -6.201 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.637 16.278 -4.748 1.00 0.00 N ATOM 0 H ASN A 103 -10.118 13.610 -3.353 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.522 16.148 -3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.040 14.204 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.351 15.086 -6.186 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.971 17.050 -4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.454 15.459 -4.168 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.713 13.167 -4.560 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.928 12.408 -4.804 1.00 0.00 C ATOM 1605 C ASP A 104 -14.050 11.299 -3.757 1.00 0.00 C ATOM 1606 O ASP A 104 -13.404 11.354 -2.711 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.901 11.752 -6.186 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.401 12.652 -7.318 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -13.951 13.768 -7.441 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.481 12.203 -8.035 1.00 0.00 O ATOM 0 H ASP A 104 -11.850 12.629 -4.641 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.772 13.096 -4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.267 10.866 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.907 11.411 -6.430 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.882 10.318 -4.074 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.097 9.198 -3.174 1.00 0.00 C ATOM 1617 C GLN A 105 -14.101 8.076 -3.476 1.00 0.00 C ATOM 1618 O GLN A 105 -13.801 7.257 -2.609 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.537 8.691 -3.263 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.654 7.270 -2.707 1.00 0.00 C ATOM 1621 CD GLN A 105 -18.082 6.740 -2.852 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.859 7.194 -3.675 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.382 5.757 -2.009 1.00 0.00 N ATOM 0 H GLN A 105 -15.416 10.276 -4.942 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.930 9.541 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.196 9.358 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.869 8.707 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.963 6.612 -3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.364 7.262 -1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.683 5.424 -1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.311 5.336 -2.027 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.615 8.075 -4.709 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.659 7.068 -5.136 1.00 0.00 C ATOM 1634 C LYS A 106 -11.306 7.343 -4.477 1.00 0.00 C ATOM 1635 O LYS A 106 -10.829 6.544 -3.673 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.598 7.000 -6.663 1.00 0.00 C ATOM 1637 CG LYS A 106 -12.228 5.593 -7.136 1.00 0.00 C ATOM 1638 CD LYS A 106 -11.855 5.593 -8.619 1.00 0.00 C ATOM 1639 CE LYS A 106 -11.924 4.180 -9.202 1.00 0.00 C ATOM 1640 NZ LYS A 106 -10.781 3.368 -8.728 1.00 0.00 N ATOM 0 H LYS A 106 -13.866 8.756 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.977 6.078 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.563 7.286 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.865 7.716 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.392 5.216 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.066 4.917 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.530 6.250 -9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.849 5.993 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.861 3.705 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.917 4.229 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.843 2.412 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.890 3.814 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.805 3.307 -7.690 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.725 8.476 -4.844 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.436 8.867 -4.299 1.00 0.00 C ATOM 1656 C ASP A 107 -9.458 8.700 -2.779 1.00 0.00 C ATOM 1657 O ASP A 107 -8.472 8.268 -2.184 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.129 10.333 -4.610 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.641 10.677 -4.699 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.920 9.908 -5.370 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.258 11.702 -4.094 1.00 0.00 O ATOM 0 H ASP A 107 -11.123 9.136 -5.512 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.672 8.235 -4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.604 10.596 -5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.585 10.955 -3.840 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.594 9.052 -2.193 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.757 8.946 -0.753 1.00 0.00 C ATOM 1668 C LEU A 108 -10.555 7.491 -0.327 1.00 0.00 C ATOM 1669 O LEU A 108 -9.669 7.192 0.473 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.103 9.532 -0.322 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.644 9.049 1.025 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.371 7.711 0.876 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.530 8.984 2.072 1.00 0.00 C ATOM 0 H LEU A 108 -11.410 9.411 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.999 9.537 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.009 10.617 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.840 9.301 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.376 9.775 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.746 7.390 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.206 7.826 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.680 6.963 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.942 8.638 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.757 8.292 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.097 9.976 2.205 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.391 6.624 -0.879 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.315 5.207 -0.566 1.00 0.00 C ATOM 1687 C LYS A 109 -9.908 4.694 -0.882 1.00 0.00 C ATOM 1688 O LYS A 109 -9.236 4.142 -0.012 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.425 4.439 -1.285 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.449 3.893 -0.288 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.545 2.369 -0.380 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.679 1.946 -1.316 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.162 0.591 -0.966 1.00 0.00 N ATOM 0 H LYS A 109 -12.125 6.876 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.483 5.043 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.922 5.095 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.993 3.616 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.167 4.183 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.426 4.335 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.600 1.963 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.713 1.951 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.500 2.660 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.330 1.959 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.931 0.319 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.380 -0.090 -1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.514 0.590 0.013 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.506 4.895 -2.128 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.192 4.459 -2.569 1.00 0.00 C ATOM 1709 C ASP A 110 -7.151 4.845 -1.516 1.00 0.00 C ATOM 1710 O ASP A 110 -6.502 3.978 -0.932 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.802 5.132 -3.887 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.568 4.174 -5.057 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -7.264 2.995 -4.774 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.699 4.643 -6.208 1.00 0.00 O ATOM 0 H ASP A 110 -10.067 5.354 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.226 3.379 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.587 5.836 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.894 5.714 -3.726 1.00 0.00 H new ATOM 1719 N TRP A 111 -7.025 6.147 -1.304 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.074 6.658 -0.331 1.00 0.00 C ATOM 1721 C TRP A 111 -6.165 5.786 0.922 1.00 0.00 C ATOM 1722 O TRP A 111 -5.162 5.235 1.374 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.324 8.140 -0.047 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.503 9.089 -0.923 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.947 9.950 -1.848 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -4.067 9.238 -0.919 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.908 10.641 -2.438 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.728 10.193 -1.854 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.088 8.586 -0.149 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.408 10.584 -2.108 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.773 8.987 -0.414 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.415 9.948 -1.353 1.00 0.00 C ATOM 0 H TRP A 111 -7.565 6.863 -1.789 1.00 0.00 H new ATOM 0 HA TRP A 111 -5.057 6.603 -0.720 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.383 8.353 -0.192 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.098 8.342 1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.988 10.087 -2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.990 11.349 -3.167 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.331 7.835 0.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.169 11.335 -2.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.981 8.517 0.150 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.376 10.203 -1.499 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.377 5.686 1.449 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.612 4.890 2.641 1.00 0.00 C ATOM 1745 C VAL A 112 -7.037 3.488 2.434 1.00 0.00 C ATOM 1746 O VAL A 112 -6.303 2.982 3.283 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.105 4.880 2.978 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.386 3.999 4.197 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.626 6.301 3.197 1.00 0.00 C ATOM 0 H VAL A 112 -8.207 6.144 1.072 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.102 5.328 3.499 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.638 4.455 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.454 4.009 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.068 2.977 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.836 4.382 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.689 6.266 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.084 6.764 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.476 6.887 2.290 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.391 2.898 1.302 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.918 1.564 0.973 1.00 0.00 C ATOM 1761 C GLU A 113 -5.389 1.539 0.926 1.00 0.00 C ATOM 1762 O GLU A 113 -4.760 0.685 1.549 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.516 1.082 -0.351 1.00 0.00 C ATOM 1764 CG GLU A 113 -9.027 1.317 -0.388 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.759 0.088 -0.932 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.189 -0.557 -1.839 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.872 -0.178 -0.430 1.00 0.00 O ATOM 0 H GLU A 113 -8.000 3.319 0.601 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.248 0.879 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.042 1.607 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.306 0.021 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.388 1.546 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.249 2.183 -1.012 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.836 2.485 0.181 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.393 2.582 0.045 1.00 0.00 C ATOM 1776 C ALA A 114 -2.764 2.744 1.430 1.00 0.00 C ATOM 1777 O ALA A 114 -1.768 2.094 1.744 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.045 3.739 -0.892 1.00 0.00 C ATOM 0 H ALA A 114 -5.361 3.191 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.987 1.672 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.962 3.812 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.490 3.561 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.434 4.670 -0.480 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.371 3.615 2.223 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.883 3.871 3.567 1.00 0.00 C ATOM 1786 C LEU A 115 -3.158 2.649 4.446 1.00 0.00 C ATOM 1787 O LEU A 115 -2.584 2.514 5.525 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.479 5.169 4.115 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.071 6.453 3.390 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.077 7.575 3.654 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.645 6.863 3.760 1.00 0.00 C ATOM 0 H LEU A 115 -4.197 4.153 1.960 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.803 4.022 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.566 5.088 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.195 5.261 5.163 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.081 6.257 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.763 8.476 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.062 7.271 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.123 7.778 4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.381 7.778 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.583 7.034 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.953 6.069 3.479 1.00 0.00 H new ATOM 1803 N ASN A 116 -4.037 1.789 3.951 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.395 0.583 4.678 1.00 0.00 C ATOM 1805 C ASN A 116 -3.431 -0.542 4.296 1.00 0.00 C ATOM 1806 O ASN A 116 -3.303 -1.528 5.021 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.814 0.130 4.328 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.698 0.086 5.576 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.856 -0.938 6.221 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.266 1.250 5.878 1.00 0.00 N ATOM 0 H ASN A 116 -4.511 1.904 3.055 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.340 0.802 5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.247 0.811 3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.781 -0.857 3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.876 1.324 6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.092 2.069 5.296 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.778 -0.358 3.158 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.830 -1.346 2.670 1.00 0.00 C ATOM 1819 C GLN A 117 -0.415 -0.999 3.138 1.00 0.00 C ATOM 1820 O GLN A 117 0.281 -1.844 3.699 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.892 -1.459 1.146 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.277 -1.916 0.685 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.180 -2.771 -0.580 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.973 -2.280 -1.677 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -3.340 -4.074 -0.366 1.00 0.00 N ATOM 0 H GLN A 117 -2.887 0.461 2.559 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.101 -2.317 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.655 -0.495 0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.138 -2.166 0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.758 -2.488 1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.905 -1.046 0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.510 -4.418 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -3.292 -4.729 -1.147 1.00 0.00 H new ATOM 1834 N ALA A 118 -0.033 0.245 2.891 1.00 0.00 N ATOM 1835 CA ALA A 118 1.286 0.714 3.279 1.00 0.00 C ATOM 1836 C ALA A 118 1.493 0.460 4.774 1.00 0.00 C ATOM 1837 O ALA A 118 2.597 0.132 5.205 1.00 0.00 O ATOM 1838 CB ALA A 118 1.432 2.192 2.913 1.00 0.00 C ATOM 0 H ALA A 118 -0.614 0.943 2.427 1.00 0.00 H new ATOM 0 HA ALA A 118 2.061 0.168 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.422 2.543 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.306 2.315 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.672 2.773 3.436 1.00 0.00 H new ATOM 1844 N SER A 119 0.413 0.623 5.524 1.00 0.00 N ATOM 1845 CA SER A 119 0.462 0.416 6.961 1.00 0.00 C ATOM 1846 C SER A 119 0.684 -1.066 7.269 1.00 0.00 C ATOM 1847 O SER A 119 1.512 -1.412 8.110 1.00 0.00 O ATOM 1848 CB SER A 119 -0.821 0.911 7.633 1.00 0.00 C ATOM 1849 OG SER A 119 -1.181 0.108 8.754 1.00 0.00 O ATOM 0 H SER A 119 -0.501 0.896 5.163 1.00 0.00 H new ATOM 0 HA SER A 119 1.296 0.993 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.686 1.944 7.955 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.635 0.907 6.908 1.00 0.00 H new ATOM 0 HG SER A 119 -2.004 0.457 9.156 1.00 0.00 H new ATOM 1855 N LYS A 120 -0.071 -1.903 6.572 1.00 0.00 N ATOM 1856 CA LYS A 120 0.033 -3.340 6.760 1.00 0.00 C ATOM 1857 C LYS A 120 1.147 -3.888 5.865 1.00 0.00 C ATOM 1858 O LYS A 120 1.293 -5.101 5.724 1.00 0.00 O ATOM 1859 CB LYS A 120 -1.324 -4.009 6.533 1.00 0.00 C ATOM 1860 CG LYS A 120 -2.139 -4.048 7.827 1.00 0.00 C ATOM 1861 CD LYS A 120 -1.898 -5.353 8.589 1.00 0.00 C ATOM 1862 CE LYS A 120 -2.965 -6.394 8.245 1.00 0.00 C ATOM 1863 NZ LYS A 120 -3.449 -7.064 9.473 1.00 0.00 N ATOM 0 H LYS A 120 -0.758 -1.613 5.876 1.00 0.00 H new ATOM 0 HA LYS A 120 0.308 -3.571 7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.877 -3.466 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -1.176 -5.023 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.869 -3.200 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -3.200 -3.948 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -0.911 -5.744 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -1.907 -5.159 9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -3.799 -5.914 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -2.552 -7.133 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -4.173 -7.768 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -2.654 -7.539 9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -3.861 -6.357 10.115 1.00 0.00 H new ATOM 1877 N SER A 121 1.902 -2.967 5.285 1.00 0.00 N ATOM 1878 CA SER A 121 2.998 -3.343 4.408 1.00 0.00 C ATOM 1879 C SER A 121 2.481 -3.546 2.982 1.00 0.00 C ATOM 1880 O SER A 121 3.087 -3.067 2.024 1.00 0.00 O ATOM 1881 CB SER A 121 3.692 -4.612 4.906 1.00 0.00 C ATOM 1882 OG SER A 121 5.099 -4.573 4.686 1.00 0.00 O ATOM 0 H SER A 121 1.777 -1.962 5.405 1.00 0.00 H new ATOM 0 HA SER A 121 3.730 -2.536 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.495 -4.739 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 121 3.270 -5.479 4.398 1.00 0.00 H new ATOM 0 HG SER A 121 5.505 -5.400 5.019 1.00 0.00 H new ATOM 1888 N GLY A 122 1.367 -4.256 2.886 1.00 0.00 N ATOM 1889 CA GLY A 122 0.762 -4.528 1.593 1.00 0.00 C ATOM 1890 C GLY A 122 1.740 -5.262 0.673 1.00 0.00 C ATOM 1891 O GLY A 122 2.749 -5.795 1.133 1.00 0.00 O ATOM 0 H GLY A 122 0.867 -4.651 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.137 -5.129 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 122 0.453 -3.592 1.128 1.00 0.00 H new ATOM 1895 N PRO A 123 1.398 -5.267 -0.643 1.00 0.00 N ATOM 1896 CA PRO A 123 2.234 -5.926 -1.631 1.00 0.00 C ATOM 1897 C PRO A 123 3.490 -5.103 -1.924 1.00 0.00 C ATOM 1898 O PRO A 123 3.594 -3.952 -1.504 1.00 0.00 O ATOM 1899 CB PRO A 123 1.341 -6.101 -2.849 1.00 0.00 C ATOM 1900 CG PRO A 123 0.191 -5.124 -2.666 1.00 0.00 C ATOM 1901 CD PRO A 123 0.211 -4.645 -1.223 1.00 0.00 C ATOM 0 HA PRO A 123 2.610 -6.890 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.889 -5.892 -3.768 1.00 0.00 H new ATOM 0 HB3 PRO A 123 0.976 -7.125 -2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.294 -4.281 -3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.759 -5.606 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.266 -3.558 -1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -0.693 -4.946 -0.693 1.00 0.00 H new ATOM 1909 N SER A 124 4.413 -5.726 -2.643 1.00 0.00 N ATOM 1910 CA SER A 124 5.657 -5.065 -2.998 1.00 0.00 C ATOM 1911 C SER A 124 6.219 -5.665 -4.288 1.00 0.00 C ATOM 1912 O SER A 124 6.387 -6.879 -4.390 1.00 0.00 O ATOM 1913 CB SER A 124 6.683 -5.180 -1.868 1.00 0.00 C ATOM 1914 OG SER A 124 7.920 -4.558 -2.205 1.00 0.00 O ATOM 0 H SER A 124 4.324 -6.681 -2.989 1.00 0.00 H new ATOM 0 HA SER A 124 5.449 -4.007 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.281 -4.721 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.856 -6.232 -1.641 1.00 0.00 H new ATOM 0 HG SER A 124 8.547 -4.651 -1.458 1.00 0.00 H new ATOM 1920 N SER A 125 6.495 -4.786 -5.240 1.00 0.00 N ATOM 1921 CA SER A 125 7.035 -5.214 -6.520 1.00 0.00 C ATOM 1922 C SER A 125 8.561 -5.111 -6.504 1.00 0.00 C ATOM 1923 O SER A 125 9.114 -4.015 -6.574 1.00 0.00 O ATOM 1924 CB SER A 125 6.459 -4.382 -7.667 1.00 0.00 C ATOM 1925 OG SER A 125 6.605 -5.033 -8.925 1.00 0.00 O ATOM 0 H SER A 125 6.355 -3.780 -5.151 1.00 0.00 H new ATOM 0 HA SER A 125 6.749 -6.253 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.403 -4.189 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 125 6.959 -3.414 -7.700 1.00 0.00 H new ATOM 0 HG SER A 125 6.223 -4.470 -9.631 1.00 0.00 H new ATOM 1931 N GLY A 126 9.200 -6.269 -6.413 1.00 0.00 N ATOM 1932 CA GLY A 126 10.651 -6.323 -6.387 1.00 0.00 C ATOM 1933 C GLY A 126 11.145 -7.770 -6.337 1.00 0.00 C ATOM 1934 O GLY A 126 10.418 -8.663 -5.904 1.00 0.00 O ATOM 0 H GLY A 126 8.738 -7.177 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.053 -5.828 -7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.023 -5.778 -5.520 1.00 0.00 H new TER 1938 GLY A 126