USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1078 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 126 ASN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 118 THR OG1 : rot -71:sc= 0.386 USER MOD Set 2.2: A 121 THR OG1 : rot -29:sc= -0.95 USER MOD Set 3.1: A 107 GLN : amide:sc= -2.69! C(o=-1.1!,f=-6.1!) USER MOD Set 3.2: A 108 SER OG : rot 54:sc= 1.56 USER MOD Set 4.1: A 65 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.245) USER MOD Set 4.2: A 105 TYR OH : rot -176:sc= -0.679 USER MOD Set 5.1: A 12 GLN : amide:sc= -6.51! C(o=-15!,f=-20!) USER MOD Set 5.2: A 40 HIS : no HE2:sc= -8.97! C(o=-15!,f=-16!) USER MOD Single : A 1 ALA N :NH3+ 177:sc= 0 (180deg=-0.0107) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 4 GLN : amide:sc= -2.13 K(o=-2.1,f=-0.42) USER MOD Single : A 8 MET CE :methyl 145:sc= -7.95! (180deg=-13.6!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0959 K(o=-0.096,f=-0.72) USER MOD Single : A 25 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.3) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.2!) USER MOD Single : A 31 ASN : amide:sc= -0.899 K(o=-0.9,f=-1.7!) USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0165) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 165:sc= -2.94 USER MOD Single : A 49 GLN : amide:sc= -2.1 K(o=-2.1,f=-1.2!) USER MOD Single : A 50 MET CE :methyl 135:sc= -2.03 (180deg=-5.14!) USER MOD Single : A 53 HIS : no HD1:sc= -0.552 K(o=-0.55,f=-3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -135:sc= 0 (180deg=-0.0992) USER MOD Single : A 70 MET CE :methyl 177:sc= -5.65 (180deg=-5.69) USER MOD Single : A 71 CYS SG : rot 98:sc= -1.69! USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -1.45 (180deg=-2.13!) USER MOD Single : A 74 ASN : amide:sc= 0.564 K(o=0.56,f=-0.71) USER MOD Single : A 78 THR OG1 : rot -95:sc= 0.138 USER MOD Single : A 81 THR OG1 : rot -97:sc= 0.23 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.65) USER MOD Single : A 100 CYS SG : rot -160:sc= -0.177 USER MOD Single : A 104 GLN : amide:sc= -0.823 K(o=-0.82,f=-0.05) USER MOD Single : A 112 SER OG : rot 18:sc= -1.02 USER MOD Single : A 114 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.012) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 180:sc= -11.1! (180deg=-11.1!) USER MOD Single : A 125 GLN : amide:sc= -2.76! K(o=-2.8!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.241 26.705 2.583 1.00 0.00 N ATOM 2 CA ALA A 1 -5.827 26.484 2.982 1.00 0.00 C ATOM 3 C ALA A 1 -5.598 25.037 3.404 1.00 0.00 C ATOM 4 O ALA A 1 -4.965 24.770 4.428 1.00 0.00 O ATOM 5 CB ALA A 1 -5.444 27.433 4.109 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.383 27.708 2.349 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.462 26.121 1.752 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.869 26.441 3.369 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.193 26.688 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.406 27.261 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.563 28.463 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.089 27.255 4.969 1.00 0.00 H new ATOM 13 N ARG A 2 -6.112 24.104 2.610 1.00 0.00 N ATOM 14 CA ARG A 2 -5.962 22.684 2.902 1.00 0.00 C ATOM 15 C ARG A 2 -4.493 22.281 2.878 1.00 0.00 C ATOM 16 O ARG A 2 -3.925 21.900 3.900 1.00 0.00 O ATOM 17 CB ARG A 2 -6.755 21.849 1.894 1.00 0.00 C ATOM 18 CG ARG A 2 -7.686 20.837 2.544 1.00 0.00 C ATOM 19 CD ARG A 2 -9.087 20.904 1.955 1.00 0.00 C ATOM 20 NE ARG A 2 -10.117 20.734 2.977 1.00 0.00 N ATOM 21 CZ ARG A 2 -11.424 20.769 2.725 1.00 0.00 C ATOM 22 NH1 ARG A 2 -11.864 20.968 1.489 1.00 0.00 N ATOM 23 NH2 ARG A 2 -12.294 20.605 3.713 1.00 0.00 N ATOM 0 H ARG A 2 -6.636 24.306 1.759 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.354 22.496 3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.341 22.517 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.058 21.323 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.283 19.833 2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.733 21.022 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.225 21.863 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.199 20.131 1.195 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.817 20.579 3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.200 21.095 0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.866 20.994 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.962 20.452 4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.295 20.632 3.521 1.00 0.00 H new ATOM 37 N GLN A 3 -3.885 22.375 1.703 1.00 0.00 N ATOM 38 CA GLN A 3 -2.477 22.026 1.537 1.00 0.00 C ATOM 39 C GLN A 3 -1.610 22.790 2.532 1.00 0.00 C ATOM 40 O GLN A 3 -0.658 22.245 3.089 1.00 0.00 O ATOM 41 CB GLN A 3 -2.022 22.329 0.106 1.00 0.00 C ATOM 42 CG GLN A 3 -0.536 22.105 -0.123 1.00 0.00 C ATOM 43 CD GLN A 3 -0.256 20.979 -1.099 1.00 0.00 C ATOM 44 OE1 GLN A 3 -0.659 21.034 -2.260 1.00 0.00 O ATOM 45 NE2 GLN A 3 0.439 19.948 -0.630 1.00 0.00 N ATOM 0 H GLN A 3 -4.344 22.690 0.848 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.365 20.959 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.586 21.703 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.265 23.365 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.088 23.025 -0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.056 21.882 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.754 19.944 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.658 19.161 -1.240 1.00 0.00 H new ATOM 54 N GLN A 4 -1.950 24.053 2.752 1.00 0.00 N ATOM 55 CA GLN A 4 -1.208 24.891 3.683 1.00 0.00 C ATOM 56 C GLN A 4 -1.259 24.310 5.091 1.00 0.00 C ATOM 57 O GLN A 4 -0.299 24.417 5.853 1.00 0.00 O ATOM 58 CB GLN A 4 -1.768 26.314 3.680 1.00 0.00 C ATOM 59 CG GLN A 4 -1.839 26.931 2.292 1.00 0.00 C ATOM 60 CD GLN A 4 -0.474 27.061 1.644 1.00 0.00 C ATOM 61 OE1 GLN A 4 0.058 28.163 1.508 1.00 0.00 O ATOM 62 NE2 GLN A 4 0.100 25.934 1.236 1.00 0.00 N ATOM 0 H GLN A 4 -2.735 24.519 2.298 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.167 24.921 3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.766 26.305 4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.147 26.943 4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.482 26.320 1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.301 27.916 2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.377 25.042 1.369 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.017 25.961 0.790 1.00 0.00 H new ATOM 71 N GLU A 5 -2.383 23.687 5.426 1.00 0.00 N ATOM 72 CA GLU A 5 -2.553 23.080 6.736 1.00 0.00 C ATOM 73 C GLU A 5 -1.811 21.750 6.802 1.00 0.00 C ATOM 74 O GLU A 5 -1.042 21.497 7.730 1.00 0.00 O ATOM 75 CB GLU A 5 -4.048 22.903 7.045 1.00 0.00 C ATOM 76 CG GLU A 5 -4.419 21.547 7.623 1.00 0.00 C ATOM 77 CD GLU A 5 -3.811 21.309 8.993 1.00 0.00 C ATOM 78 OE1 GLU A 5 -2.858 22.033 9.352 1.00 0.00 O ATOM 79 OE2 GLU A 5 -4.290 20.402 9.705 1.00 0.00 O ATOM 0 H GLU A 5 -3.188 23.590 4.807 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.127 23.738 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.355 23.679 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.616 23.060 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.504 21.471 7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.088 20.763 6.942 1.00 0.00 H new ATOM 86 N ILE A 6 -2.036 20.915 5.799 1.00 0.00 N ATOM 87 CA ILE A 6 -1.379 19.618 5.724 1.00 0.00 C ATOM 88 C ILE A 6 0.128 19.798 5.617 1.00 0.00 C ATOM 89 O ILE A 6 0.882 19.381 6.497 1.00 0.00 O ATOM 90 CB ILE A 6 -1.878 18.817 4.503 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.388 18.605 4.585 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.157 17.483 4.389 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.134 19.224 3.429 1.00 0.00 C ATOM 0 H ILE A 6 -2.670 21.112 5.024 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.621 19.068 6.633 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.655 19.396 3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.598 17.536 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.759 19.029 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.530 16.941 3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.087 17.656 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.337 16.894 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.202 19.039 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.951 20.298 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.788 18.782 2.494 1.00 0.00 H new ATOM 105 N ASP A 7 0.546 20.431 4.525 1.00 0.00 N ATOM 106 CA ASP A 7 1.959 20.699 4.250 1.00 0.00 C ATOM 107 C ASP A 7 2.876 19.641 4.865 1.00 0.00 C ATOM 108 O ASP A 7 3.512 19.878 5.891 1.00 0.00 O ATOM 109 CB ASP A 7 2.345 22.086 4.771 1.00 0.00 C ATOM 110 CG ASP A 7 2.146 22.217 6.267 1.00 0.00 C ATOM 111 OD1 ASP A 7 1.000 22.468 6.695 1.00 0.00 O ATOM 112 OD2 ASP A 7 3.137 22.069 7.014 1.00 0.00 O ATOM 0 H ASP A 7 -0.086 20.775 3.802 1.00 0.00 H new ATOM 0 HA ASP A 7 2.091 20.663 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.389 22.285 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.748 22.842 4.260 1.00 0.00 H new ATOM 117 N MET A 8 2.939 18.474 4.232 1.00 0.00 N ATOM 118 CA MET A 8 3.779 17.386 4.723 1.00 0.00 C ATOM 119 C MET A 8 5.238 17.597 4.325 1.00 0.00 C ATOM 120 O MET A 8 6.054 18.034 5.135 1.00 0.00 O ATOM 121 CB MET A 8 3.279 16.039 4.193 1.00 0.00 C ATOM 122 CG MET A 8 1.902 15.652 4.705 1.00 0.00 C ATOM 123 SD MET A 8 1.789 15.686 6.505 1.00 0.00 S ATOM 124 CE MET A 8 0.040 16.001 6.727 1.00 0.00 C ATOM 0 H MET A 8 2.421 18.257 3.381 1.00 0.00 H new ATOM 0 HA MET A 8 3.717 17.381 5.811 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.255 16.074 3.104 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.991 15.262 4.471 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.160 16.332 4.286 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.655 14.652 4.349 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.315 15.473 7.612 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.124 17.071 6.853 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.507 15.651 5.851 1.00 0.00 H new ATOM 134 N LYS A 9 5.556 17.281 3.074 1.00 0.00 N ATOM 135 CA LYS A 9 6.916 17.435 2.567 1.00 0.00 C ATOM 136 C LYS A 9 7.919 16.708 3.460 1.00 0.00 C ATOM 137 O LYS A 9 9.080 17.106 3.559 1.00 0.00 O ATOM 138 CB LYS A 9 7.280 18.919 2.468 1.00 0.00 C ATOM 139 CG LYS A 9 7.175 19.478 1.058 1.00 0.00 C ATOM 140 CD LYS A 9 7.874 20.824 0.940 1.00 0.00 C ATOM 141 CE LYS A 9 7.042 21.820 0.145 1.00 0.00 C ATOM 142 NZ LYS A 9 6.527 22.920 1.005 1.00 0.00 N ATOM 0 H LYS A 9 4.891 16.917 2.392 1.00 0.00 H new ATOM 0 HA LYS A 9 6.959 16.991 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.625 19.490 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.298 19.060 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.616 18.774 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.125 19.587 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.067 21.223 1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.842 20.691 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.647 22.240 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.205 21.302 -0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.965 23.578 0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.929 22.522 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.326 23.430 1.432 1.00 0.00 H new ATOM 156 N ARG A 10 7.463 15.641 4.109 1.00 0.00 N ATOM 157 CA ARG A 10 8.319 14.862 4.996 1.00 0.00 C ATOM 158 C ARG A 10 8.755 13.560 4.331 1.00 0.00 C ATOM 159 O ARG A 10 8.563 12.474 4.879 1.00 0.00 O ATOM 160 CB ARG A 10 7.594 14.565 6.310 1.00 0.00 C ATOM 161 CG ARG A 10 8.525 14.426 7.501 1.00 0.00 C ATOM 162 CD ARG A 10 7.955 13.483 8.549 1.00 0.00 C ATOM 163 NE ARG A 10 6.762 14.033 9.188 1.00 0.00 N ATOM 164 CZ ARG A 10 6.779 15.064 10.030 1.00 0.00 C ATOM 165 NH1 ARG A 10 7.925 15.660 10.337 1.00 0.00 N ATOM 166 NH2 ARG A 10 5.648 15.501 10.564 1.00 0.00 N ATOM 0 H ARG A 10 6.506 15.296 4.037 1.00 0.00 H new ATOM 0 HA ARG A 10 9.210 15.452 5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.880 15.364 6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.020 13.645 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.494 14.055 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.696 15.406 7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.710 12.529 8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.712 13.282 9.307 1.00 0.00 H new ATOM 0 HE ARG A 10 5.862 13.601 8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.798 15.328 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.932 16.450 10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.765 15.048 10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.660 16.291 11.209 1.00 0.00 H new ATOM 180 N GLN A 11 9.347 13.677 3.146 1.00 0.00 N ATOM 181 CA GLN A 11 9.814 12.511 2.405 1.00 0.00 C ATOM 182 C GLN A 11 8.649 11.606 2.013 1.00 0.00 C ATOM 183 O GLN A 11 7.781 11.305 2.833 1.00 0.00 O ATOM 184 CB GLN A 11 10.834 11.725 3.236 1.00 0.00 C ATOM 185 CG GLN A 11 12.209 11.646 2.594 1.00 0.00 C ATOM 186 CD GLN A 11 12.865 13.004 2.454 1.00 0.00 C ATOM 187 OE1 GLN A 11 12.647 13.715 1.473 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.678 13.373 3.439 1.00 0.00 N ATOM 0 H GLN A 11 9.514 14.568 2.679 1.00 0.00 H new ATOM 0 HA GLN A 11 10.295 12.863 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.926 12.190 4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.458 10.714 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.849 10.998 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.121 11.186 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.830 12.752 4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.149 14.277 3.400 1.00 0.00 H new ATOM 197 N GLN A 12 8.639 11.177 0.756 1.00 0.00 N ATOM 198 CA GLN A 12 7.583 10.305 0.252 1.00 0.00 C ATOM 199 C GLN A 12 8.175 9.037 -0.355 1.00 0.00 C ATOM 200 O GLN A 12 8.691 9.055 -1.472 1.00 0.00 O ATOM 201 CB GLN A 12 6.743 11.042 -0.791 1.00 0.00 C ATOM 202 CG GLN A 12 6.197 12.372 -0.301 1.00 0.00 C ATOM 203 CD GLN A 12 5.353 12.229 0.950 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.354 11.510 0.961 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.752 12.915 2.015 1.00 0.00 N ATOM 0 H GLN A 12 9.351 11.419 0.066 1.00 0.00 H new ATOM 0 HA GLN A 12 6.943 10.022 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.350 11.213 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.911 10.405 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.027 13.049 -0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.598 12.827 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.586 13.499 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.224 12.858 2.886 1.00 0.00 H new ATOM 214 N ARG A 13 8.099 7.937 0.388 1.00 0.00 N ATOM 215 CA ARG A 13 8.630 6.662 -0.081 1.00 0.00 C ATOM 216 C ARG A 13 7.524 5.622 -0.217 1.00 0.00 C ATOM 217 O ARG A 13 6.745 5.401 0.711 1.00 0.00 O ATOM 218 CB ARG A 13 9.706 6.143 0.875 1.00 0.00 C ATOM 219 CG ARG A 13 10.641 7.221 1.396 1.00 0.00 C ATOM 220 CD ARG A 13 11.585 6.675 2.456 1.00 0.00 C ATOM 221 NE ARG A 13 12.836 6.191 1.877 1.00 0.00 N ATOM 222 CZ ARG A 13 13.895 5.824 2.596 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.857 5.883 3.922 1.00 0.00 N ATOM 224 NH2 ARG A 13 14.992 5.395 1.990 1.00 0.00 N ATOM 0 H ARG A 13 7.676 7.903 1.315 1.00 0.00 H new ATOM 0 HA ARG A 13 9.073 6.831 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.221 5.656 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.295 5.381 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.220 7.633 0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.056 8.040 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.801 7.455 3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.096 5.863 2.993 1.00 0.00 H new ATOM 0 HE ARG A 13 12.902 6.131 0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.014 6.210 4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.671 5.601 4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.026 5.346 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.803 5.114 2.542 1.00 0.00 H new ATOM 238 N PHE A 14 7.469 4.978 -1.377 1.00 0.00 N ATOM 239 CA PHE A 14 6.469 3.950 -1.641 1.00 0.00 C ATOM 240 C PHE A 14 7.144 2.593 -1.788 1.00 0.00 C ATOM 241 O PHE A 14 8.172 2.475 -2.457 1.00 0.00 O ATOM 242 CB PHE A 14 5.676 4.293 -2.905 1.00 0.00 C ATOM 243 CG PHE A 14 5.354 5.757 -3.027 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.345 6.672 -3.346 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.065 6.218 -2.811 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.057 8.019 -3.447 1.00 0.00 C ATOM 247 CE2 PHE A 14 3.771 7.565 -2.914 1.00 0.00 C ATOM 248 CZ PHE A 14 4.769 8.467 -3.232 1.00 0.00 C ATOM 0 H PHE A 14 8.108 5.151 -2.153 1.00 0.00 H new ATOM 0 HA PHE A 14 5.776 3.907 -0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.246 3.980 -3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.747 3.722 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.354 6.328 -3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.282 5.518 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.839 8.722 -3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.762 7.912 -2.746 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.542 9.520 -3.312 1.00 0.00 H new ATOM 258 N PHE A 15 6.584 1.572 -1.148 1.00 0.00 N ATOM 259 CA PHE A 15 7.168 0.238 -1.206 1.00 0.00 C ATOM 260 C PHE A 15 6.116 -0.836 -1.460 1.00 0.00 C ATOM 261 O PHE A 15 4.942 -0.674 -1.119 1.00 0.00 O ATOM 262 CB PHE A 15 7.919 -0.065 0.092 1.00 0.00 C ATOM 263 CG PHE A 15 8.699 1.107 0.618 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.053 2.150 1.258 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.076 1.167 0.466 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.764 3.232 1.741 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.792 2.248 0.944 1.00 0.00 C ATOM 268 CZ PHE A 15 10.135 3.282 1.583 1.00 0.00 C ATOM 0 H PHE A 15 5.734 1.641 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 15 7.865 0.223 -2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.204 -0.386 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.600 -0.899 -0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.981 2.118 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.594 0.360 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.248 4.038 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.864 2.285 0.818 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.692 4.128 1.958 1.00 0.00 H new ATOM 278 N ARG A 16 6.561 -1.937 -2.057 1.00 0.00 N ATOM 279 CA ARG A 16 5.694 -3.065 -2.364 1.00 0.00 C ATOM 280 C ARG A 16 6.494 -4.362 -2.307 1.00 0.00 C ATOM 281 O ARG A 16 7.679 -4.381 -2.643 1.00 0.00 O ATOM 282 CB ARG A 16 5.069 -2.889 -3.751 1.00 0.00 C ATOM 283 CG ARG A 16 4.248 -4.084 -4.216 1.00 0.00 C ATOM 284 CD ARG A 16 4.710 -4.579 -5.577 1.00 0.00 C ATOM 285 NE ARG A 16 3.675 -5.352 -6.261 1.00 0.00 N ATOM 286 CZ ARG A 16 3.754 -5.733 -7.535 1.00 0.00 C ATOM 287 NH1 ARG A 16 4.819 -5.420 -8.264 1.00 0.00 N ATOM 288 NH2 ARG A 16 2.766 -6.427 -8.080 1.00 0.00 N ATOM 0 H ARG A 16 7.532 -2.071 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 16 4.894 -3.109 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.432 -2.005 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.862 -2.702 -4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.331 -4.890 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.195 -3.806 -4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.994 -3.727 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.601 -5.195 -5.455 1.00 0.00 H new ATOM 0 HE ARG A 16 2.844 -5.615 -5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.582 -4.885 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.874 -5.714 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.946 -6.669 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.826 -6.719 -9.055 1.00 0.00 H new ATOM 302 N ILE A 17 5.853 -5.442 -1.877 1.00 0.00 N ATOM 303 CA ILE A 17 6.531 -6.729 -1.777 1.00 0.00 C ATOM 304 C ILE A 17 5.600 -7.880 -2.159 1.00 0.00 C ATOM 305 O ILE A 17 4.536 -8.052 -1.562 1.00 0.00 O ATOM 306 CB ILE A 17 7.090 -6.977 -0.353 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.816 -5.775 0.559 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.583 -7.268 -0.416 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.475 -5.874 1.918 1.00 0.00 C ATOM 0 H ILE A 17 4.873 -5.453 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 17 7.364 -6.694 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 17 6.582 -7.844 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.163 -4.868 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.739 -5.672 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.963 -7.440 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.755 -8.155 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.101 -6.417 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.235 -4.987 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.110 -6.761 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.556 -5.945 1.794 1.00 0.00 H new ATOM 321 N PRO A 18 5.989 -8.683 -3.167 1.00 0.00 N ATOM 322 CA PRO A 18 5.195 -9.817 -3.630 1.00 0.00 C ATOM 323 C PRO A 18 5.512 -11.097 -2.866 1.00 0.00 C ATOM 324 O PRO A 18 6.388 -11.865 -3.265 1.00 0.00 O ATOM 325 CB PRO A 18 5.633 -9.945 -5.085 1.00 0.00 C ATOM 326 CG PRO A 18 7.069 -9.534 -5.079 1.00 0.00 C ATOM 327 CD PRO A 18 7.238 -8.551 -3.943 1.00 0.00 C ATOM 0 HA PRO A 18 4.125 -9.666 -3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.514 -10.966 -5.447 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.039 -9.304 -5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.718 -10.399 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.344 -9.077 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.112 -8.789 -3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.373 -7.534 -4.312 1.00 0.00 H new ATOM 335 N PHE A 19 4.800 -11.325 -1.768 1.00 0.00 N ATOM 336 CA PHE A 19 5.018 -12.518 -0.959 1.00 0.00 C ATOM 337 C PHE A 19 3.849 -13.487 -1.094 1.00 0.00 C ATOM 338 O PHE A 19 2.698 -13.072 -1.224 1.00 0.00 O ATOM 339 CB PHE A 19 5.228 -12.143 0.510 1.00 0.00 C ATOM 340 CG PHE A 19 4.068 -11.411 1.120 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.937 -12.098 1.528 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.112 -10.037 1.288 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.869 -11.427 2.093 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.046 -9.361 1.852 1.00 0.00 C ATOM 345 CZ PHE A 19 1.923 -10.056 2.255 1.00 0.00 C ATOM 0 H PHE A 19 4.071 -10.703 -1.419 1.00 0.00 H new ATOM 0 HA PHE A 19 5.918 -13.012 -1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.415 -13.051 1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.121 -11.523 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.889 -13.170 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.988 -9.488 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.993 -11.974 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.092 -8.289 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.089 -9.529 2.696 1.00 0.00 H new ATOM 355 N ILE A 20 4.156 -14.778 -1.066 1.00 0.00 N ATOM 356 CA ILE A 20 3.134 -15.810 -1.191 1.00 0.00 C ATOM 357 C ILE A 20 2.600 -16.219 0.175 1.00 0.00 C ATOM 358 O ILE A 20 3.340 -16.253 1.158 1.00 0.00 O ATOM 359 CB ILE A 20 3.675 -17.062 -1.910 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.636 -16.665 -3.031 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.530 -17.894 -2.468 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.351 -17.839 -3.662 1.00 0.00 C ATOM 0 H ILE A 20 5.105 -15.136 -0.958 1.00 0.00 H new ATOM 0 HA ILE A 20 2.327 -15.381 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 20 4.220 -17.664 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.080 -16.132 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.376 -15.970 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.931 -18.773 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.878 -18.209 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.959 -17.297 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.015 -17.481 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.935 -18.360 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.619 -18.524 -4.090 1.00 0.00 H new ATOM 374 N ARG A 21 1.311 -16.532 0.228 1.00 0.00 N ATOM 375 CA ARG A 21 0.680 -16.944 1.475 1.00 0.00 C ATOM 376 C ARG A 21 1.174 -18.329 1.893 1.00 0.00 C ATOM 377 O ARG A 21 1.244 -19.240 1.070 1.00 0.00 O ATOM 378 CB ARG A 21 -0.842 -16.944 1.330 1.00 0.00 C ATOM 379 CG ARG A 21 -1.515 -15.785 2.043 1.00 0.00 C ATOM 380 CD ARG A 21 -2.961 -15.625 1.606 1.00 0.00 C ATOM 381 NE ARG A 21 -3.772 -14.967 2.627 1.00 0.00 N ATOM 382 CZ ARG A 21 -5.102 -15.011 2.661 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.774 -15.682 1.734 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.762 -14.384 3.624 1.00 0.00 N ATOM 0 H ARG A 21 0.684 -16.508 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 21 0.954 -16.230 2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.099 -16.908 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.237 -17.881 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.475 -15.947 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.968 -14.864 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.999 -15.045 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.383 -16.605 1.384 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.291 -14.443 3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.271 -16.167 0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.793 -15.713 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.251 -13.867 4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.781 -14.418 3.650 1.00 0.00 H new ATOM 398 N PRO A 22 1.524 -18.505 3.180 1.00 0.00 N ATOM 399 CA PRO A 22 2.019 -19.783 3.705 1.00 0.00 C ATOM 400 C PRO A 22 1.258 -20.991 3.163 1.00 0.00 C ATOM 401 O PRO A 22 1.834 -21.872 2.518 1.00 0.00 O ATOM 402 CB PRO A 22 1.797 -19.638 5.208 1.00 0.00 C ATOM 403 CG PRO A 22 1.959 -18.180 5.469 1.00 0.00 C ATOM 404 CD PRO A 22 1.469 -17.469 4.232 1.00 0.00 C ATOM 0 HA PRO A 22 3.054 -19.967 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.806 -19.986 5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.519 -20.226 5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.385 -17.876 6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.002 -17.935 5.670 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.456 -17.088 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.101 -16.616 3.985 1.00 0.00 H new ATOM 412 N ALA A 23 -0.040 -21.025 3.439 1.00 0.00 N ATOM 413 CA ALA A 23 -0.897 -22.119 3.001 1.00 0.00 C ATOM 414 C ALA A 23 -0.661 -22.475 1.541 1.00 0.00 C ATOM 415 O ALA A 23 -0.412 -23.632 1.202 1.00 0.00 O ATOM 416 CB ALA A 23 -2.359 -21.755 3.225 1.00 0.00 C ATOM 0 H ALA A 23 -0.525 -20.301 3.969 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.645 -22.997 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.993 -22.578 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.529 -21.568 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.602 -20.858 2.655 1.00 0.00 H new ATOM 422 N ASP A 24 -0.758 -21.473 0.685 1.00 0.00 N ATOM 423 CA ASP A 24 -0.581 -21.662 -0.751 1.00 0.00 C ATOM 424 C ASP A 24 0.810 -22.202 -1.093 1.00 0.00 C ATOM 425 O ASP A 24 0.964 -23.007 -2.016 1.00 0.00 O ATOM 426 CB ASP A 24 -0.824 -20.344 -1.487 1.00 0.00 C ATOM 427 CG ASP A 24 -2.076 -19.634 -1.005 1.00 0.00 C ATOM 428 OD1 ASP A 24 -2.092 -19.186 0.160 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.036 -19.526 -1.795 1.00 0.00 O ATOM 0 H ASP A 24 -0.960 -20.511 0.959 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.311 -22.404 -1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.037 -19.690 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.909 -20.538 -2.556 1.00 0.00 H new ATOM 434 N GLN A 25 1.820 -21.748 -0.358 1.00 0.00 N ATOM 435 CA GLN A 25 3.199 -22.176 -0.601 1.00 0.00 C ATOM 436 C GLN A 25 3.342 -23.687 -0.518 1.00 0.00 C ATOM 437 O GLN A 25 3.791 -24.330 -1.468 1.00 0.00 O ATOM 438 CB GLN A 25 4.160 -21.526 0.401 1.00 0.00 C ATOM 439 CG GLN A 25 3.772 -20.117 0.802 1.00 0.00 C ATOM 440 CD GLN A 25 4.973 -19.240 1.095 1.00 0.00 C ATOM 441 OE1 GLN A 25 5.178 -18.808 2.229 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.774 -18.971 0.072 1.00 0.00 N ATOM 0 H GLN A 25 1.713 -21.085 0.410 1.00 0.00 H new ATOM 0 HA GLN A 25 3.454 -21.855 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.210 -22.147 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.161 -21.507 -0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.184 -19.665 0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.133 -20.158 1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.566 -19.350 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.598 -18.385 0.209 1.00 0.00 H new ATOM 451 N TYR A 26 2.971 -24.251 0.623 1.00 0.00 N ATOM 452 CA TYR A 26 3.078 -25.696 0.817 1.00 0.00 C ATOM 453 C TYR A 26 1.842 -26.428 0.301 1.00 0.00 C ATOM 454 O TYR A 26 1.790 -27.658 0.326 1.00 0.00 O ATOM 455 CB TYR A 26 3.318 -26.044 2.291 1.00 0.00 C ATOM 456 CG TYR A 26 2.611 -25.135 3.268 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.310 -25.398 3.673 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.246 -24.013 3.783 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.662 -24.570 4.566 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.605 -23.178 4.676 1.00 0.00 C ATOM 461 CZ TYR A 26 1.312 -23.461 5.064 1.00 0.00 C ATOM 462 OH TYR A 26 0.668 -22.632 5.956 1.00 0.00 O ATOM 0 H TYR A 26 2.597 -23.739 1.422 1.00 0.00 H new ATOM 0 HA TYR A 26 3.938 -26.030 0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.994 -27.070 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.389 -26.009 2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.797 -26.265 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.258 -23.790 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.350 -24.790 4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.112 -22.309 5.068 1.00 0.00 H new ATOM 0 HH TYR A 26 1.323 -22.047 6.391 1.00 0.00 H new ATOM 472 N LYS A 27 0.852 -25.678 -0.175 1.00 0.00 N ATOM 473 CA LYS A 27 -0.363 -26.284 -0.703 1.00 0.00 C ATOM 474 C LYS A 27 -0.114 -26.847 -2.097 1.00 0.00 C ATOM 475 O LYS A 27 -0.540 -27.957 -2.415 1.00 0.00 O ATOM 476 CB LYS A 27 -1.500 -25.264 -0.744 1.00 0.00 C ATOM 477 CG LYS A 27 -2.417 -25.330 0.465 1.00 0.00 C ATOM 478 CD LYS A 27 -3.090 -23.994 0.728 1.00 0.00 C ATOM 479 CE LYS A 27 -4.516 -23.974 0.206 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.509 -24.201 1.293 1.00 0.00 N ATOM 0 H LYS A 27 0.868 -24.659 -0.205 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.653 -27.100 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.076 -24.262 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.090 -25.425 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.176 -26.096 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.843 -25.628 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.091 -23.791 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.517 -23.198 0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.714 -23.015 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.633 -24.742 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.470 -24.180 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.337 -25.128 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.415 -23.454 2.011 1.00 0.00 H new ATOM 494 N ASP A 28 0.585 -26.075 -2.922 1.00 0.00 N ATOM 495 CA ASP A 28 0.894 -26.504 -4.282 1.00 0.00 C ATOM 496 C ASP A 28 1.934 -25.587 -4.926 1.00 0.00 C ATOM 497 O ASP A 28 1.985 -24.392 -4.632 1.00 0.00 O ATOM 498 CB ASP A 28 -0.376 -26.531 -5.133 1.00 0.00 C ATOM 499 CG ASP A 28 -0.354 -27.638 -6.168 1.00 0.00 C ATOM 500 OD1 ASP A 28 -0.013 -28.784 -5.805 1.00 0.00 O ATOM 501 OD2 ASP A 28 -0.677 -27.361 -7.342 1.00 0.00 O ATOM 0 H ASP A 28 0.947 -25.154 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 28 1.310 -27.510 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.242 -26.661 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.495 -25.571 -5.635 1.00 0.00 H new ATOM 506 N PRO A 29 2.774 -26.134 -5.823 1.00 0.00 N ATOM 507 CA PRO A 29 3.807 -25.361 -6.515 1.00 0.00 C ATOM 508 C PRO A 29 3.212 -24.448 -7.579 1.00 0.00 C ATOM 509 O PRO A 29 3.749 -23.380 -7.871 1.00 0.00 O ATOM 510 CB PRO A 29 4.700 -26.426 -7.172 1.00 0.00 C ATOM 511 CG PRO A 29 4.198 -27.749 -6.686 1.00 0.00 C ATOM 512 CD PRO A 29 2.780 -27.539 -6.245 1.00 0.00 C ATOM 0 HA PRO A 29 4.348 -24.709 -5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.645 -26.364 -8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.745 -26.281 -6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.250 -28.497 -7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.809 -28.115 -5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.074 -27.721 -7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.507 -28.208 -5.428 1.00 0.00 H new ATOM 520 N GLN A 30 2.097 -24.883 -8.155 1.00 0.00 N ATOM 521 CA GLN A 30 1.418 -24.115 -9.190 1.00 0.00 C ATOM 522 C GLN A 30 0.315 -23.252 -8.588 1.00 0.00 C ATOM 523 O GLN A 30 0.147 -22.090 -8.960 1.00 0.00 O ATOM 524 CB GLN A 30 0.832 -25.050 -10.249 1.00 0.00 C ATOM 525 CG GLN A 30 1.883 -25.724 -11.114 1.00 0.00 C ATOM 526 CD GLN A 30 1.361 -26.088 -12.490 1.00 0.00 C ATOM 527 OE1 GLN A 30 0.254 -25.704 -12.867 1.00 0.00 O ATOM 528 NE2 GLN A 30 2.159 -26.832 -13.248 1.00 0.00 N ATOM 0 H GLN A 30 1.644 -25.766 -7.921 1.00 0.00 H new ATOM 0 HA GLN A 30 2.151 -23.460 -9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.235 -25.816 -9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.156 -24.482 -10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.741 -25.061 -11.219 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.236 -26.626 -10.613 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.069 -27.128 -12.894 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.862 -27.108 -14.184 1.00 0.00 H new ATOM 537 N ASN A 31 -0.429 -23.828 -7.651 1.00 0.00 N ATOM 538 CA ASN A 31 -1.514 -23.113 -6.988 1.00 0.00 C ATOM 539 C ASN A 31 -0.991 -22.343 -5.779 1.00 0.00 C ATOM 540 O ASN A 31 -1.498 -22.494 -4.667 1.00 0.00 O ATOM 541 CB ASN A 31 -2.609 -24.090 -6.554 1.00 0.00 C ATOM 542 CG ASN A 31 -3.068 -24.985 -7.687 1.00 0.00 C ATOM 543 OD1 ASN A 31 -2.865 -26.197 -7.658 1.00 0.00 O ATOM 544 ND2 ASN A 31 -3.693 -24.387 -8.696 1.00 0.00 N ATOM 0 H ASN A 31 -0.301 -24.789 -7.333 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.937 -22.401 -7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.238 -24.707 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.461 -23.529 -6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.026 -24.937 -9.488 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.840 -23.378 -8.679 1.00 0.00 H new ATOM 551 N LYS A 32 0.026 -21.520 -6.004 1.00 0.00 N ATOM 552 CA LYS A 32 0.620 -20.726 -4.933 1.00 0.00 C ATOM 553 C LYS A 32 0.562 -19.237 -5.264 1.00 0.00 C ATOM 554 O LYS A 32 1.595 -18.577 -5.389 1.00 0.00 O ATOM 555 CB LYS A 32 2.067 -21.160 -4.677 1.00 0.00 C ATOM 556 CG LYS A 32 2.723 -21.853 -5.861 1.00 0.00 C ATOM 557 CD LYS A 32 2.812 -20.935 -7.068 1.00 0.00 C ATOM 558 CE LYS A 32 4.250 -20.538 -7.364 1.00 0.00 C ATOM 559 NZ LYS A 32 4.330 -19.452 -8.380 1.00 0.00 N ATOM 0 H LYS A 32 0.457 -21.384 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 32 0.041 -20.898 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.657 -20.283 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.088 -21.832 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.723 -22.184 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.153 -22.745 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.385 -21.434 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.216 -20.040 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.733 -20.210 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.801 -21.409 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.322 -19.164 -8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.954 -19.796 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.770 -18.636 -8.061 1.00 0.00 H new ATOM 573 N LYS A 33 -0.655 -18.717 -5.404 1.00 0.00 N ATOM 574 CA LYS A 33 -0.864 -17.304 -5.723 1.00 0.00 C ATOM 575 C LYS A 33 0.068 -16.407 -4.909 1.00 0.00 C ATOM 576 O LYS A 33 0.435 -16.737 -3.782 1.00 0.00 O ATOM 577 CB LYS A 33 -2.321 -16.913 -5.467 1.00 0.00 C ATOM 578 CG LYS A 33 -3.201 -17.008 -6.703 1.00 0.00 C ATOM 579 CD LYS A 33 -3.708 -18.426 -6.921 1.00 0.00 C ATOM 580 CE LYS A 33 -3.624 -18.831 -8.383 1.00 0.00 C ATOM 581 NZ LYS A 33 -2.296 -19.411 -8.724 1.00 0.00 N ATOM 0 H LYS A 33 -1.516 -19.254 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.634 -17.162 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.730 -17.557 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.353 -15.892 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.048 -16.330 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.637 -16.684 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.123 -19.119 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.741 -18.500 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.405 -19.559 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.812 -17.961 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.280 -19.674 -9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.552 -18.708 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.127 -20.256 -8.142 1.00 0.00 H new ATOM 595 N LYS A 34 0.453 -15.279 -5.495 1.00 0.00 N ATOM 596 CA LYS A 34 1.352 -14.340 -4.831 1.00 0.00 C ATOM 597 C LYS A 34 0.604 -13.102 -4.350 1.00 0.00 C ATOM 598 O LYS A 34 0.054 -12.346 -5.150 1.00 0.00 O ATOM 599 CB LYS A 34 2.493 -13.916 -5.769 1.00 0.00 C ATOM 600 CG LYS A 34 2.788 -14.900 -6.896 1.00 0.00 C ATOM 601 CD LYS A 34 3.849 -15.911 -6.494 1.00 0.00 C ATOM 602 CE LYS A 34 5.168 -15.234 -6.155 1.00 0.00 C ATOM 603 NZ LYS A 34 6.317 -15.876 -6.852 1.00 0.00 N ATOM 0 H LYS A 34 0.157 -14.992 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 34 1.772 -14.853 -3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.246 -12.948 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.399 -13.778 -5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.872 -15.423 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.121 -14.354 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.501 -16.482 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.002 -16.621 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.117 -14.181 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.329 -15.272 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.197 -15.386 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.381 -16.874 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.176 -15.817 -7.881 1.00 0.00 H new ATOM 617 N GLY A 35 0.599 -12.892 -3.037 1.00 0.00 N ATOM 618 CA GLY A 35 -0.068 -11.735 -2.473 1.00 0.00 C ATOM 619 C GLY A 35 0.827 -10.510 -2.470 1.00 0.00 C ATOM 620 O GLY A 35 1.935 -10.547 -1.931 1.00 0.00 O ATOM 0 H GLY A 35 1.046 -13.504 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.972 -11.523 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.381 -11.958 -1.453 1.00 0.00 H new ATOM 624 N TRP A 36 0.354 -9.430 -3.079 1.00 0.00 N ATOM 625 CA TRP A 36 1.128 -8.196 -3.150 1.00 0.00 C ATOM 626 C TRP A 36 0.702 -7.214 -2.067 1.00 0.00 C ATOM 627 O TRP A 36 -0.485 -6.953 -1.879 1.00 0.00 O ATOM 628 CB TRP A 36 0.977 -7.558 -4.530 1.00 0.00 C ATOM 629 CG TRP A 36 1.467 -8.438 -5.636 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.747 -8.534 -6.098 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.687 -9.351 -6.415 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.812 -9.454 -7.118 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.559 -9.969 -7.330 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.666 -9.707 -6.425 1.00 0.00 C ATOM 635 CZ2 TRP A 36 1.122 -10.924 -8.246 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.097 -10.653 -7.336 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.205 -11.253 -8.233 1.00 0.00 C ATOM 0 H TRP A 36 -0.560 -9.383 -3.530 1.00 0.00 H new ATOM 0 HA TRP A 36 2.176 -8.445 -2.985 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.073 -7.319 -4.701 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.526 -6.617 -4.551 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.586 -7.970 -5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.654 -9.711 -7.633 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.360 -9.252 -5.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.807 -11.387 -8.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.140 -10.934 -7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.573 -11.992 -8.930 1.00 0.00 H new ATOM 648 N TRP A 37 1.687 -6.673 -1.357 1.00 0.00 N ATOM 649 CA TRP A 37 1.424 -5.719 -0.288 1.00 0.00 C ATOM 650 C TRP A 37 2.023 -4.356 -0.624 1.00 0.00 C ATOM 651 O TRP A 37 3.239 -4.220 -0.757 1.00 0.00 O ATOM 652 CB TRP A 37 2.009 -6.243 1.025 1.00 0.00 C ATOM 653 CG TRP A 37 1.717 -5.377 2.214 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.494 -5.120 2.764 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.673 -4.663 3.006 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.633 -4.291 3.851 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.960 -3.995 4.021 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.062 -4.527 2.956 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.594 -3.203 4.977 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.689 -3.741 3.903 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.955 -3.087 4.902 1.00 0.00 C ATOM 0 H TRP A 37 2.675 -6.880 -1.504 1.00 0.00 H new ATOM 0 HA TRP A 37 0.346 -5.601 -0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.617 -7.243 1.212 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.089 -6.340 0.916 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.444 -5.511 2.399 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.129 -3.951 4.437 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.636 -5.028 2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.031 -2.699 5.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.763 -3.628 3.873 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.475 -2.479 5.628 1.00 0.00 H new ATOM 672 N TYR A 38 1.163 -3.351 -0.756 1.00 0.00 N ATOM 673 CA TYR A 38 1.610 -1.998 -1.072 1.00 0.00 C ATOM 674 C TYR A 38 1.422 -1.077 0.127 1.00 0.00 C ATOM 675 O TYR A 38 0.538 -1.295 0.956 1.00 0.00 O ATOM 676 CB TYR A 38 0.837 -1.439 -2.269 1.00 0.00 C ATOM 677 CG TYR A 38 0.996 -2.239 -3.542 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.456 -3.514 -3.656 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.675 -1.714 -4.637 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.590 -4.244 -4.821 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.810 -2.439 -5.806 1.00 0.00 C ATOM 682 CZ TYR A 38 1.266 -3.702 -5.894 1.00 0.00 C ATOM 683 OH TYR A 38 1.398 -4.425 -7.058 1.00 0.00 O ATOM 0 H TYR A 38 0.153 -3.447 -0.649 1.00 0.00 H new ATOM 0 HA TYR A 38 2.670 -2.046 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.222 -1.392 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.166 -0.416 -2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.077 -3.941 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.103 -0.725 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.167 -5.235 -4.891 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.340 -2.017 -6.647 1.00 0.00 H new ATOM 0 HH TYR A 38 1.679 -3.829 -7.783 1.00 0.00 H new ATOM 693 N ALA A 39 2.255 -0.046 0.214 1.00 0.00 N ATOM 694 CA ALA A 39 2.171 0.905 1.316 1.00 0.00 C ATOM 695 C ALA A 39 3.062 2.115 1.072 1.00 0.00 C ATOM 696 O ALA A 39 4.268 1.983 0.865 1.00 0.00 O ATOM 697 CB ALA A 39 2.547 0.221 2.621 1.00 0.00 C ATOM 0 H ALA A 39 2.993 0.152 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 39 1.143 1.260 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.482 0.938 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.863 -0.607 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.566 -0.159 2.552 1.00 0.00 H new ATOM 703 N HIS A 40 2.457 3.296 1.114 1.00 0.00 N ATOM 704 CA HIS A 40 3.186 4.540 0.913 1.00 0.00 C ATOM 705 C HIS A 40 3.544 5.150 2.261 1.00 0.00 C ATOM 706 O HIS A 40 2.702 5.763 2.920 1.00 0.00 O ATOM 707 CB HIS A 40 2.347 5.520 0.089 1.00 0.00 C ATOM 708 CG HIS A 40 2.937 6.894 -0.001 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.238 7.985 -0.473 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.170 7.352 0.325 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.014 9.053 -0.434 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.190 8.696 0.047 1.00 0.00 N ATOM 0 H HIS A 40 1.459 3.417 1.286 1.00 0.00 H new ATOM 0 HA HIS A 40 4.105 4.330 0.365 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.224 5.121 -0.918 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.352 5.590 0.528 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.272 7.970 -0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.985 6.769 0.728 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.734 10.049 -0.743 1.00 0.00 H new ATOM 721 N PHE A 41 4.796 4.965 2.672 1.00 0.00 N ATOM 722 CA PHE A 41 5.260 5.484 3.950 1.00 0.00 C ATOM 723 C PHE A 41 5.779 6.914 3.818 1.00 0.00 C ATOM 724 O PHE A 41 6.696 7.184 3.041 1.00 0.00 O ATOM 725 CB PHE A 41 6.363 4.593 4.533 1.00 0.00 C ATOM 726 CG PHE A 41 5.936 3.177 4.803 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.607 2.323 3.763 1.00 0.00 C ATOM 728 CD2 PHE A 41 5.875 2.699 6.103 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.224 1.019 4.015 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.490 1.397 6.360 1.00 0.00 C ATOM 731 CZ PHE A 41 5.164 0.556 5.314 1.00 0.00 C ATOM 0 H PHE A 41 5.504 4.461 2.138 1.00 0.00 H new ATOM 0 HA PHE A 41 4.404 5.486 4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.207 4.580 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.719 5.037 5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.650 2.680 2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.131 3.352 6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.972 0.362 3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.444 1.038 7.377 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.863 -0.462 5.512 1.00 0.00 H new ATOM 741 N ASP A 42 5.202 7.822 4.599 1.00 0.00 N ATOM 742 CA ASP A 42 5.618 9.217 4.593 1.00 0.00 C ATOM 743 C ASP A 42 6.613 9.455 5.720 1.00 0.00 C ATOM 744 O ASP A 42 6.309 9.200 6.889 1.00 0.00 O ATOM 745 CB ASP A 42 4.408 10.141 4.757 1.00 0.00 C ATOM 746 CG ASP A 42 3.341 9.888 3.711 1.00 0.00 C ATOM 747 OD1 ASP A 42 3.657 9.261 2.678 1.00 0.00 O ATOM 748 OD2 ASP A 42 2.188 10.319 3.924 1.00 0.00 O ATOM 0 H ASP A 42 4.442 7.614 5.246 1.00 0.00 H new ATOM 0 HA ASP A 42 6.092 9.440 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.980 10.002 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.736 11.179 4.694 1.00 0.00 H new ATOM 753 N GLY A 43 7.810 9.913 5.374 1.00 0.00 N ATOM 754 CA GLY A 43 8.820 10.137 6.389 1.00 0.00 C ATOM 755 C GLY A 43 9.077 8.874 7.190 1.00 0.00 C ATOM 756 O GLY A 43 9.144 7.786 6.621 1.00 0.00 O ATOM 0 H GLY A 43 8.097 10.131 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.746 10.468 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.498 10.936 7.057 1.00 0.00 H new ATOM 760 N PRO A 44 9.216 8.978 8.519 1.00 0.00 N ATOM 761 CA PRO A 44 9.456 7.816 9.375 1.00 0.00 C ATOM 762 C PRO A 44 8.205 6.949 9.541 1.00 0.00 C ATOM 763 O PRO A 44 8.289 5.808 9.998 1.00 0.00 O ATOM 764 CB PRO A 44 9.856 8.430 10.728 1.00 0.00 C ATOM 765 CG PRO A 44 10.015 9.896 10.481 1.00 0.00 C ATOM 766 CD PRO A 44 9.153 10.218 9.296 1.00 0.00 C ATOM 0 HA PRO A 44 10.214 7.157 8.952 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.093 8.242 11.483 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.784 7.993 11.096 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.708 10.473 11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.057 10.146 10.283 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.132 10.462 9.590 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.536 11.070 8.734 1.00 0.00 H new ATOM 774 N TRP A 45 7.045 7.505 9.197 1.00 0.00 N ATOM 775 CA TRP A 45 5.779 6.795 9.340 1.00 0.00 C ATOM 776 C TRP A 45 5.095 6.574 7.993 1.00 0.00 C ATOM 777 O TRP A 45 5.687 6.802 6.937 1.00 0.00 O ATOM 778 CB TRP A 45 4.873 7.592 10.273 1.00 0.00 C ATOM 779 CG TRP A 45 5.655 8.394 11.267 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.288 9.582 11.048 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.916 8.043 12.623 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.919 9.996 12.196 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.700 9.068 13.181 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.552 6.963 13.418 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.129 9.039 14.505 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.975 6.930 14.734 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.756 7.964 15.266 1.00 0.00 C ATOM 0 H TRP A 45 6.957 8.447 8.817 1.00 0.00 H new ATOM 0 HA TRP A 45 5.977 5.809 9.760 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.244 8.259 9.684 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.207 6.910 10.802 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.293 10.118 10.111 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.462 10.854 12.299 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.949 6.163 13.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.733 9.834 14.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.699 6.095 15.361 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.070 7.912 16.298 1.00 0.00 H new ATOM 798 N ILE A 46 3.845 6.116 8.039 1.00 0.00 N ATOM 799 CA ILE A 46 3.085 5.849 6.823 1.00 0.00 C ATOM 800 C ILE A 46 1.722 6.533 6.843 1.00 0.00 C ATOM 801 O ILE A 46 1.169 6.818 7.904 1.00 0.00 O ATOM 802 CB ILE A 46 2.903 4.330 6.601 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.841 4.050 5.533 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.537 3.644 7.905 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.759 2.592 5.136 1.00 0.00 C ATOM 0 H ILE A 46 3.340 5.923 8.904 1.00 0.00 H new ATOM 0 HA ILE A 46 3.662 6.262 5.996 1.00 0.00 H new ATOM 0 HB ILE A 46 3.851 3.926 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.869 4.373 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.059 4.648 4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.412 2.575 7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.331 3.803 8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.605 4.061 8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.987 2.464 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.720 2.270 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.511 1.990 6.010 1.00 0.00 H new ATOM 817 N ALA A 47 1.194 6.798 5.649 1.00 0.00 N ATOM 818 CA ALA A 47 -0.101 7.453 5.513 1.00 0.00 C ATOM 819 C ALA A 47 -1.010 6.731 4.518 1.00 0.00 C ATOM 820 O ALA A 47 -2.227 6.921 4.539 1.00 0.00 O ATOM 821 CB ALA A 47 0.090 8.902 5.095 1.00 0.00 C ATOM 0 H ALA A 47 1.645 6.568 4.763 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.591 7.416 6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.883 9.383 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.678 9.424 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.612 8.939 4.139 1.00 0.00 H new ATOM 827 N ARG A 48 -0.434 5.903 3.640 1.00 0.00 N ATOM 828 CA ARG A 48 -1.233 5.181 2.655 1.00 0.00 C ATOM 829 C ARG A 48 -0.887 3.695 2.652 1.00 0.00 C ATOM 830 O ARG A 48 0.271 3.317 2.818 1.00 0.00 O ATOM 831 CB ARG A 48 -1.020 5.778 1.262 1.00 0.00 C ATOM 832 CG ARG A 48 -2.222 6.552 0.746 1.00 0.00 C ATOM 833 CD ARG A 48 -2.045 6.954 -0.709 1.00 0.00 C ATOM 834 NE ARG A 48 -1.342 8.227 -0.843 1.00 0.00 N ATOM 835 CZ ARG A 48 -1.159 8.854 -2.003 1.00 0.00 C ATOM 836 NH1 ARG A 48 -1.621 8.330 -3.131 1.00 0.00 N ATOM 837 NH2 ARG A 48 -0.510 10.011 -2.035 1.00 0.00 N ATOM 0 H ARG A 48 0.568 5.720 3.594 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.283 5.284 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.155 6.440 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.787 4.975 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.120 5.942 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.370 7.444 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.491 6.177 -1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.022 7.027 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.969 8.661 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.120 7.441 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.477 8.816 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.152 10.419 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.369 10.492 -2.923 1.00 0.00 H new ATOM 851 N GLN A 49 -1.904 2.858 2.466 1.00 0.00 N ATOM 852 CA GLN A 49 -1.708 1.413 2.447 1.00 0.00 C ATOM 853 C GLN A 49 -2.690 0.735 1.495 1.00 0.00 C ATOM 854 O GLN A 49 -3.889 1.013 1.522 1.00 0.00 O ATOM 855 CB GLN A 49 -1.871 0.841 3.858 1.00 0.00 C ATOM 856 CG GLN A 49 -0.576 0.318 4.457 1.00 0.00 C ATOM 857 CD GLN A 49 -0.529 -1.196 4.511 1.00 0.00 C ATOM 858 OE1 GLN A 49 -0.131 -1.849 3.548 1.00 0.00 O ATOM 859 NE2 GLN A 49 -0.937 -1.759 5.642 1.00 0.00 N ATOM 0 H GLN A 49 -2.870 3.155 2.327 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.697 1.215 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.276 1.615 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.601 0.032 3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.266 0.683 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.458 0.718 5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.259 -1.176 6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.928 -2.774 5.738 1.00 0.00 H new ATOM 868 N MET A 50 -2.172 -0.161 0.662 1.00 0.00 N ATOM 869 CA MET A 50 -2.998 -0.891 -0.293 1.00 0.00 C ATOM 870 C MET A 50 -2.658 -2.378 -0.260 1.00 0.00 C ATOM 871 O MET A 50 -1.517 -2.771 -0.500 1.00 0.00 O ATOM 872 CB MET A 50 -2.804 -0.332 -1.708 1.00 0.00 C ATOM 873 CG MET A 50 -3.386 -1.216 -2.803 1.00 0.00 C ATOM 874 SD MET A 50 -3.790 -0.298 -4.302 1.00 0.00 S ATOM 875 CE MET A 50 -2.265 0.602 -4.567 1.00 0.00 C ATOM 0 H MET A 50 -1.181 -0.400 0.629 1.00 0.00 H new ATOM 0 HA MET A 50 -4.044 -0.766 -0.012 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.266 0.654 -1.766 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.738 -0.196 -1.892 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.672 -2.003 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.285 -1.705 -2.429 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.986 0.543 -5.619 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.405 1.646 -4.286 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.474 0.165 -3.957 1.00 0.00 H new ATOM 885 N GLU A 51 -3.655 -3.202 0.048 1.00 0.00 N ATOM 886 CA GLU A 51 -3.456 -4.646 0.120 1.00 0.00 C ATOM 887 C GLU A 51 -4.060 -5.349 -1.092 1.00 0.00 C ATOM 888 O GLU A 51 -5.185 -5.057 -1.498 1.00 0.00 O ATOM 889 CB GLU A 51 -4.070 -5.203 1.406 1.00 0.00 C ATOM 890 CG GLU A 51 -3.138 -6.119 2.181 1.00 0.00 C ATOM 891 CD GLU A 51 -3.650 -7.543 2.262 1.00 0.00 C ATOM 892 OE1 GLU A 51 -3.628 -8.242 1.227 1.00 0.00 O ATOM 893 OE2 GLU A 51 -4.074 -7.961 3.360 1.00 0.00 O ATOM 0 H GLU A 51 -4.606 -2.896 0.251 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.383 -4.835 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.364 -4.372 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.979 -5.751 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.156 -6.117 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.006 -5.727 3.189 1.00 0.00 H new ATOM 900 N LEU A 52 -3.303 -6.283 -1.661 1.00 0.00 N ATOM 901 CA LEU A 52 -3.759 -7.040 -2.822 1.00 0.00 C ATOM 902 C LEU A 52 -3.453 -8.525 -2.652 1.00 0.00 C ATOM 903 O LEU A 52 -2.316 -8.957 -2.837 1.00 0.00 O ATOM 904 CB LEU A 52 -3.097 -6.512 -4.097 1.00 0.00 C ATOM 905 CG LEU A 52 -3.528 -5.108 -4.517 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.545 -4.525 -5.521 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.934 -5.133 -5.098 1.00 0.00 C ATOM 0 H LEU A 52 -2.369 -6.534 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.838 -6.915 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.016 -6.516 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.314 -7.201 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.533 -4.471 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.869 -3.525 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.554 -4.470 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.507 -5.162 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.224 -4.124 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.955 -5.785 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.631 -5.507 -4.348 1.00 0.00 H new ATOM 919 N HIS A 53 -4.472 -9.298 -2.297 1.00 0.00 N ATOM 920 CA HIS A 53 -4.309 -10.735 -2.100 1.00 0.00 C ATOM 921 C HIS A 53 -5.220 -11.523 -3.038 1.00 0.00 C ATOM 922 O HIS A 53 -6.251 -11.021 -3.485 1.00 0.00 O ATOM 923 CB HIS A 53 -4.606 -11.106 -0.645 1.00 0.00 C ATOM 924 CG HIS A 53 -3.379 -11.370 0.167 1.00 0.00 C ATOM 925 ND1 HIS A 53 -3.275 -12.420 1.056 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.196 -10.715 0.223 1.00 0.00 C ATOM 927 CE1 HIS A 53 -2.083 -12.397 1.625 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.408 -11.372 1.136 1.00 0.00 N ATOM 0 H HIS A 53 -5.420 -8.955 -2.139 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.276 -10.994 -2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.172 -10.298 -0.181 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.241 -11.992 -0.627 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.922 -9.838 -0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.722 -13.097 2.364 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.456 -11.111 1.394 1.00 0.00 H new ATOM 937 N PRO A 54 -4.848 -12.778 -3.346 1.00 0.00 N ATOM 938 CA PRO A 54 -5.631 -13.642 -4.235 1.00 0.00 C ATOM 939 C PRO A 54 -7.022 -13.934 -3.686 1.00 0.00 C ATOM 940 O PRO A 54 -7.969 -14.143 -4.444 1.00 0.00 O ATOM 941 CB PRO A 54 -4.807 -14.929 -4.316 1.00 0.00 C ATOM 942 CG PRO A 54 -3.936 -14.901 -3.111 1.00 0.00 C ATOM 943 CD PRO A 54 -3.638 -13.454 -2.854 1.00 0.00 C ATOM 0 HA PRO A 54 -5.800 -13.172 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.449 -15.810 -4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.215 -14.963 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.437 -15.355 -2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.019 -15.465 -3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.468 -13.258 -1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.746 -13.124 -3.387 1.00 0.00 H new ATOM 951 N ASP A 55 -7.140 -13.952 -2.363 1.00 0.00 N ATOM 952 CA ASP A 55 -8.417 -14.221 -1.712 1.00 0.00 C ATOM 953 C ASP A 55 -8.976 -12.969 -1.038 1.00 0.00 C ATOM 954 O ASP A 55 -9.954 -13.042 -0.294 1.00 0.00 O ATOM 955 CB ASP A 55 -8.259 -15.341 -0.683 1.00 0.00 C ATOM 956 CG ASP A 55 -7.522 -16.543 -1.242 1.00 0.00 C ATOM 957 OD1 ASP A 55 -7.956 -17.070 -2.288 1.00 0.00 O ATOM 958 OD2 ASP A 55 -6.513 -16.956 -0.633 1.00 0.00 O ATOM 0 H ASP A 55 -6.366 -13.783 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.123 -14.534 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.720 -14.960 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.244 -15.652 -0.335 1.00 0.00 H new ATOM 963 N LYS A 56 -8.356 -11.821 -1.302 1.00 0.00 N ATOM 964 CA LYS A 56 -8.803 -10.563 -0.717 1.00 0.00 C ATOM 965 C LYS A 56 -8.670 -9.420 -1.722 1.00 0.00 C ATOM 966 O LYS A 56 -7.561 -9.044 -2.100 1.00 0.00 O ATOM 967 CB LYS A 56 -7.998 -10.245 0.544 1.00 0.00 C ATOM 968 CG LYS A 56 -7.852 -11.427 1.488 1.00 0.00 C ATOM 969 CD LYS A 56 -9.194 -11.842 2.072 1.00 0.00 C ATOM 970 CE LYS A 56 -9.397 -11.268 3.465 1.00 0.00 C ATOM 971 NZ LYS A 56 -9.141 -12.282 4.525 1.00 0.00 N ATOM 0 H LYS A 56 -7.545 -11.738 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.854 -10.669 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.006 -9.898 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.480 -9.424 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.410 -12.268 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.167 -11.167 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.997 -11.504 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.253 -12.930 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.731 -10.417 3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.417 -10.894 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.290 -11.852 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.794 -13.083 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.160 -12.621 4.452 1.00 0.00 H new ATOM 985 N PRO A 57 -9.804 -8.848 -2.173 1.00 0.00 N ATOM 986 CA PRO A 57 -9.798 -7.744 -3.139 1.00 0.00 C ATOM 987 C PRO A 57 -8.870 -6.608 -2.716 1.00 0.00 C ATOM 988 O PRO A 57 -8.224 -6.679 -1.671 1.00 0.00 O ATOM 989 CB PRO A 57 -11.252 -7.271 -3.146 1.00 0.00 C ATOM 990 CG PRO A 57 -12.040 -8.468 -2.744 1.00 0.00 C ATOM 991 CD PRO A 57 -11.174 -9.229 -1.778 1.00 0.00 C ATOM 0 HA PRO A 57 -9.434 -8.060 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.403 -6.445 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.548 -6.915 -4.133 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.981 -8.177 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.289 -9.080 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.386 -8.953 -0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.331 -10.305 -1.859 1.00 0.00 H new ATOM 999 N PRO A 58 -8.788 -5.540 -3.529 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.933 -4.387 -3.236 1.00 0.00 C ATOM 1001 C PRO A 58 -8.304 -3.704 -1.923 1.00 0.00 C ATOM 1002 O PRO A 58 -9.024 -2.706 -1.914 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.177 -3.437 -4.416 1.00 0.00 C ATOM 1004 CG PRO A 58 -8.754 -4.290 -5.493 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.521 -5.376 -4.795 1.00 0.00 C ATOM 0 HA PRO A 58 -6.890 -4.683 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.861 -2.635 -4.140 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.249 -2.967 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.407 -3.708 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.968 -4.709 -6.122 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.560 -5.091 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.534 -6.298 -5.376 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.807 -4.245 -0.815 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.088 -3.678 0.498 1.00 0.00 C ATOM 1015 C ILE A 59 -7.486 -2.285 0.623 1.00 0.00 C ATOM 1016 O ILE A 59 -6.294 -2.131 0.894 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.543 -4.571 1.628 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.110 -5.982 1.504 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.876 -3.979 2.992 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.116 -7.062 1.863 1.00 0.00 C ATOM 0 H ILE A 59 -7.210 -5.072 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.172 -3.616 0.596 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.458 -4.621 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.983 -6.073 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.453 -6.139 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.482 -4.626 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.427 -2.989 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.958 -3.898 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.585 -8.040 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.253 -6.997 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.792 -6.930 2.895 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.319 -1.276 0.418 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.877 0.112 0.500 1.00 0.00 C ATOM 1034 C LEU A 60 -7.705 0.540 1.954 1.00 0.00 C ATOM 1035 O LEU A 60 -8.677 0.639 2.703 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.883 1.028 -0.206 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.567 1.354 -1.673 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.771 0.234 -2.330 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -9.854 1.607 -2.443 1.00 0.00 C ATOM 0 H LEU A 60 -9.307 -1.391 0.193 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.911 0.196 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.867 0.561 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.948 1.963 0.350 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.956 2.256 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.563 0.495 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.831 0.094 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.348 -0.690 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.617 1.837 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.483 0.718 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.385 2.448 -1.997 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.460 0.790 2.343 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.152 1.202 3.708 1.00 0.00 C ATOM 1053 C LEU A 61 -5.577 2.615 3.732 1.00 0.00 C ATOM 1054 O LEU A 61 -4.966 3.066 2.763 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.166 0.220 4.345 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.659 -0.468 5.621 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -7.079 -0.987 5.444 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -4.717 -1.602 6.005 1.00 0.00 C ATOM 0 H LEU A 61 -5.647 0.715 1.732 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.078 1.200 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.918 -0.547 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.243 0.754 4.573 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.668 0.266 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.407 -1.472 6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.745 -0.155 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.104 -1.707 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.078 -2.083 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.680 -2.333 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.718 -1.202 6.179 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.776 3.308 4.848 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.279 4.668 5.003 1.00 0.00 C ATOM 1072 C VAL A 62 -5.164 5.045 6.478 1.00 0.00 C ATOM 1073 O VAL A 62 -5.962 4.603 7.304 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.193 5.683 4.290 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.590 5.669 4.896 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.594 7.080 4.348 1.00 0.00 C ATOM 0 H VAL A 62 -6.279 2.948 5.659 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.290 4.700 4.546 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.274 5.391 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.219 6.393 4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.022 4.674 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.531 5.931 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.255 7.781 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.477 7.383 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.620 7.079 3.858 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.168 5.863 6.802 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.953 6.296 8.177 1.00 0.00 C ATOM 1088 C ALA A 63 -5.194 6.985 8.734 1.00 0.00 C ATOM 1089 O ALA A 63 -6.071 7.409 7.982 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.747 7.220 8.257 1.00 0.00 C ATOM 0 H ALA A 63 -3.498 6.239 6.131 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.758 5.413 8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.598 7.536 9.290 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.860 6.692 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.918 8.096 7.631 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.264 7.091 10.057 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.408 7.723 10.689 1.00 0.00 C ATOM 1098 C GLY A 64 -7.631 6.830 10.675 1.00 0.00 C ATOM 1099 O GLY A 64 -8.098 6.388 11.726 1.00 0.00 O ATOM 0 H GLY A 64 -4.551 6.751 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.158 7.978 11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.636 8.657 10.175 1.00 0.00 H new ATOM 1103 N LYS A 65 -8.145 6.558 9.481 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.315 5.702 9.329 1.00 0.00 C ATOM 1105 C LYS A 65 -8.942 4.245 9.580 1.00 0.00 C ATOM 1106 O LYS A 65 -9.720 3.480 10.148 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.908 5.861 7.927 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.320 6.425 7.925 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.229 5.656 6.980 1.00 0.00 C ATOM 1110 CE LYS A 65 -12.978 4.549 7.705 1.00 0.00 C ATOM 1111 NZ LYS A 65 -14.089 3.997 6.882 1.00 0.00 N ATOM 0 H LYS A 65 -7.769 6.918 8.604 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.063 6.002 10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.263 6.516 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.912 4.890 7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.729 6.387 8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.293 7.474 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.943 6.341 6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.636 5.227 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.284 3.749 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.378 4.935 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.734 3.453 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.611 4.778 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.699 3.375 6.145 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.740 3.875 9.151 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.243 2.517 9.326 1.00 0.00 C ATOM 1127 C ASP A 66 -5.970 2.518 10.167 1.00 0.00 C ATOM 1128 O ASP A 66 -4.936 2.002 9.749 1.00 0.00 O ATOM 1129 CB ASP A 66 -6.973 1.873 7.964 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.171 1.949 7.040 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.240 1.417 7.408 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.042 2.540 5.947 1.00 0.00 O ATOM 0 H ASP A 66 -7.089 4.501 8.677 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.003 1.935 9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.123 2.368 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.695 0.829 8.108 1.00 0.00 H new ATOM 1137 N ASP A 67 -6.051 3.111 11.354 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.903 3.185 12.250 1.00 0.00 C ATOM 1139 C ASP A 67 -4.503 1.800 12.750 1.00 0.00 C ATOM 1140 O ASP A 67 -3.322 1.522 12.956 1.00 0.00 O ATOM 1141 CB ASP A 67 -5.216 4.103 13.435 1.00 0.00 C ATOM 1142 CG ASP A 67 -4.390 5.375 13.417 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -4.628 6.227 12.534 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.504 5.520 14.286 1.00 0.00 O ATOM 0 H ASP A 67 -6.899 3.547 11.717 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.064 3.598 11.690 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.275 4.361 13.421 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.031 3.566 14.365 1.00 0.00 H new ATOM 1149 N MET A 68 -5.493 0.932 12.943 1.00 0.00 N ATOM 1150 CA MET A 68 -5.238 -0.423 13.420 1.00 0.00 C ATOM 1151 C MET A 68 -4.908 -1.352 12.258 1.00 0.00 C ATOM 1152 O MET A 68 -4.043 -2.222 12.370 1.00 0.00 O ATOM 1153 CB MET A 68 -6.453 -0.954 14.182 1.00 0.00 C ATOM 1154 CG MET A 68 -6.488 -0.532 15.642 1.00 0.00 C ATOM 1155 SD MET A 68 -5.463 -1.580 16.692 1.00 0.00 S ATOM 1156 CE MET A 68 -6.499 -3.034 16.835 1.00 0.00 C ATOM 0 H MET A 68 -6.477 1.143 12.777 1.00 0.00 H new ATOM 0 HA MET A 68 -4.381 -0.391 14.093 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.361 -0.605 13.690 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.459 -2.043 14.127 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.150 0.501 15.726 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.517 -0.561 16.000 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.523 -3.363 17.874 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.510 -2.794 16.507 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.095 -3.831 16.212 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.606 -1.165 11.144 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.396 -1.985 9.958 1.00 0.00 C ATOM 1168 C GLU A 69 -4.076 -1.634 9.278 1.00 0.00 C ATOM 1169 O GLU A 69 -3.313 -2.517 8.886 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.557 -1.802 8.981 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.667 -2.826 9.157 1.00 0.00 C ATOM 1172 CD GLU A 69 -9.007 -2.185 9.463 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -9.707 -1.788 8.507 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -9.356 -2.082 10.658 1.00 0.00 O ATOM 0 H GLU A 69 -6.325 -0.449 11.038 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.352 -3.029 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.973 -0.802 9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.176 -1.863 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.753 -3.423 8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.402 -3.509 9.964 1.00 0.00 H new ATOM 1181 N MET A 70 -3.814 -0.338 9.140 1.00 0.00 N ATOM 1182 CA MET A 70 -2.587 0.140 8.506 1.00 0.00 C ATOM 1183 C MET A 70 -1.358 -0.503 9.143 1.00 0.00 C ATOM 1184 O MET A 70 -1.434 -1.064 10.235 1.00 0.00 O ATOM 1185 CB MET A 70 -2.497 1.663 8.614 1.00 0.00 C ATOM 1186 CG MET A 70 -1.283 2.255 7.915 1.00 0.00 C ATOM 1187 SD MET A 70 -1.518 3.985 7.465 1.00 0.00 S ATOM 1188 CE MET A 70 -2.152 3.816 5.799 1.00 0.00 C ATOM 0 H MET A 70 -4.437 0.404 9.460 1.00 0.00 H new ATOM 0 HA MET A 70 -2.615 -0.142 7.454 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.400 2.102 8.190 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.471 1.943 9.667 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.414 2.168 8.567 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.067 1.676 7.017 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.398 4.801 5.402 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.396 3.348 5.168 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.048 3.196 5.812 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.224 -0.419 8.449 1.00 0.00 N ATOM 1199 CA CYS A 71 1.025 -0.992 8.943 1.00 0.00 C ATOM 1200 C CYS A 71 1.261 -0.624 10.408 1.00 0.00 C ATOM 1201 O CYS A 71 1.449 -1.497 11.254 1.00 0.00 O ATOM 1202 CB CYS A 71 2.199 -0.510 8.091 1.00 0.00 C ATOM 1203 SG CYS A 71 3.565 -1.690 7.989 1.00 0.00 S ATOM 0 H CYS A 71 -0.146 0.041 7.542 1.00 0.00 H new ATOM 0 HA CYS A 71 0.948 -2.077 8.871 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.841 -0.297 7.084 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.572 0.428 8.502 1.00 0.00 H new ATOM 0 HG CYS A 71 3.473 -2.366 6.883 1.00 0.00 H new ATOM 1209 N GLU A 72 1.245 0.680 10.694 1.00 0.00 N ATOM 1210 CA GLU A 72 1.450 1.192 12.053 1.00 0.00 C ATOM 1211 C GLU A 72 2.936 1.321 12.393 1.00 0.00 C ATOM 1212 O GLU A 72 3.307 2.079 13.289 1.00 0.00 O ATOM 1213 CB GLU A 72 0.756 0.298 13.086 1.00 0.00 C ATOM 1214 CG GLU A 72 0.363 1.029 14.359 1.00 0.00 C ATOM 1215 CD GLU A 72 0.430 0.142 15.586 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -0.262 -0.898 15.606 1.00 0.00 O ATOM 1217 OE2 GLU A 72 1.175 0.485 16.528 1.00 0.00 O ATOM 0 H GLU A 72 1.091 1.407 9.996 1.00 0.00 H new ATOM 0 HA GLU A 72 1.006 2.187 12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.137 -0.136 12.636 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.419 -0.529 13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.021 1.886 14.499 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.649 1.419 14.252 1.00 0.00 H new ATOM 1224 N LYS A 73 3.783 0.581 11.682 1.00 0.00 N ATOM 1225 CA LYS A 73 5.219 0.625 11.924 1.00 0.00 C ATOM 1226 C LYS A 73 5.887 1.705 11.079 1.00 0.00 C ATOM 1227 O LYS A 73 5.227 2.408 10.314 1.00 0.00 O ATOM 1228 CB LYS A 73 5.848 -0.736 11.621 1.00 0.00 C ATOM 1229 CG LYS A 73 5.645 -1.758 12.727 1.00 0.00 C ATOM 1230 CD LYS A 73 4.193 -2.204 12.817 1.00 0.00 C ATOM 1231 CE LYS A 73 3.583 -1.857 14.165 1.00 0.00 C ATOM 1232 NZ LYS A 73 2.248 -2.488 14.349 1.00 0.00 N ATOM 0 H LYS A 73 3.499 -0.054 10.936 1.00 0.00 H new ATOM 0 HA LYS A 73 5.375 0.868 12.975 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.424 -1.125 10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.917 -0.604 11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.282 -2.624 12.545 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.955 -1.330 13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.616 -1.729 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.132 -3.280 12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.252 -2.184 14.961 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.488 -0.775 14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.724 -1.982 15.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.716 -2.441 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.370 -3.482 14.628 1.00 0.00 H new ATOM 1246 N ASN A 74 7.203 1.826 11.219 1.00 0.00 N ATOM 1247 CA ASN A 74 7.968 2.815 10.468 1.00 0.00 C ATOM 1248 C ASN A 74 8.638 2.166 9.259 1.00 0.00 C ATOM 1249 O ASN A 74 8.366 1.010 8.939 1.00 0.00 O ATOM 1250 CB ASN A 74 9.018 3.471 11.371 1.00 0.00 C ATOM 1251 CG ASN A 74 8.398 4.148 12.581 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.990 3.484 13.533 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.324 5.477 12.551 1.00 0.00 N ATOM 0 H ASN A 74 7.763 1.250 11.847 1.00 0.00 H new ATOM 0 HA ASN A 74 7.284 3.585 10.112 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.729 2.716 11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.581 4.206 10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.917 5.983 13.338 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.674 5.989 11.741 1.00 0.00 H new ATOM 1260 N LEU A 75 9.505 2.917 8.587 1.00 0.00 N ATOM 1261 CA LEU A 75 10.200 2.411 7.406 1.00 0.00 C ATOM 1262 C LEU A 75 11.180 1.295 7.766 1.00 0.00 C ATOM 1263 O LEU A 75 11.181 0.234 7.142 1.00 0.00 O ATOM 1264 CB LEU A 75 10.949 3.547 6.706 1.00 0.00 C ATOM 1265 CG LEU A 75 10.074 4.470 5.854 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.570 3.737 4.621 1.00 0.00 C ATOM 1267 CD2 LEU A 75 8.910 5.005 6.674 1.00 0.00 C ATOM 0 H LEU A 75 9.743 3.876 8.839 1.00 0.00 H new ATOM 0 HA LEU A 75 9.448 1.999 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.456 4.147 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.722 3.115 6.070 1.00 0.00 H new ATOM 0 HG LEU A 75 10.679 5.315 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.950 4.408 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.419 3.403 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.980 2.873 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.298 5.659 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.304 4.173 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.293 5.567 7.526 1.00 0.00 H new ATOM 1279 N GLU A 76 12.019 1.545 8.763 1.00 0.00 N ATOM 1280 CA GLU A 76 13.012 0.562 9.192 1.00 0.00 C ATOM 1281 C GLU A 76 12.353 -0.626 9.887 1.00 0.00 C ATOM 1282 O GLU A 76 12.738 -1.776 9.673 1.00 0.00 O ATOM 1283 CB GLU A 76 14.034 1.205 10.133 1.00 0.00 C ATOM 1284 CG GLU A 76 14.349 2.655 9.799 1.00 0.00 C ATOM 1285 CD GLU A 76 15.837 2.948 9.805 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.584 2.239 9.096 1.00 0.00 O ATOM 1287 OE2 GLU A 76 16.256 3.883 10.517 1.00 0.00 O ATOM 0 H GLU A 76 12.034 2.418 9.291 1.00 0.00 H new ATOM 0 HA GLU A 76 13.522 0.201 8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.658 1.151 11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.957 0.626 10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.940 2.894 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.852 3.305 10.519 1.00 0.00 H new ATOM 1294 N GLU A 77 11.368 -0.339 10.729 1.00 0.00 N ATOM 1295 CA GLU A 77 10.665 -1.382 11.468 1.00 0.00 C ATOM 1296 C GLU A 77 9.952 -2.353 10.532 1.00 0.00 C ATOM 1297 O GLU A 77 9.914 -3.557 10.785 1.00 0.00 O ATOM 1298 CB GLU A 77 9.655 -0.759 12.434 1.00 0.00 C ATOM 1299 CG GLU A 77 9.089 -1.747 13.442 1.00 0.00 C ATOM 1300 CD GLU A 77 10.095 -2.133 14.509 1.00 0.00 C ATOM 1301 OE1 GLU A 77 11.177 -2.643 14.149 1.00 0.00 O ATOM 1302 OE2 GLU A 77 9.802 -1.924 15.706 1.00 0.00 O ATOM 0 H GLU A 77 11.037 0.607 10.918 1.00 0.00 H new ATOM 0 HA GLU A 77 11.410 -1.943 12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.135 0.060 12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.835 -0.327 11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.210 -1.312 13.917 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.757 -2.644 12.919 1.00 0.00 H new ATOM 1309 N THR A 78 9.380 -1.827 9.455 1.00 0.00 N ATOM 1310 CA THR A 78 8.663 -2.656 8.492 1.00 0.00 C ATOM 1311 C THR A 78 9.579 -3.713 7.887 1.00 0.00 C ATOM 1312 O THR A 78 9.459 -4.900 8.194 1.00 0.00 O ATOM 1313 CB THR A 78 8.067 -1.793 7.379 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.901 -0.681 7.097 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.685 -1.268 7.707 1.00 0.00 C ATOM 0 H THR A 78 9.398 -0.833 9.227 1.00 0.00 H new ATOM 0 HA THR A 78 7.857 -3.160 9.025 1.00 0.00 H new ATOM 0 HB THR A 78 7.991 -2.451 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.591 0.098 7.605 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.319 -0.664 6.877 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.007 -2.106 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.733 -0.656 8.608 1.00 0.00 H new ATOM 1323 N GLY A 79 10.486 -3.277 7.024 1.00 0.00 N ATOM 1324 CA GLY A 79 11.405 -4.201 6.385 1.00 0.00 C ATOM 1325 C GLY A 79 11.506 -3.979 4.888 1.00 0.00 C ATOM 1326 O GLY A 79 12.473 -4.407 4.256 1.00 0.00 O ATOM 0 H GLY A 79 10.603 -2.300 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.393 -4.093 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.079 -5.223 6.576 1.00 0.00 H new ATOM 1330 N LEU A 80 10.510 -3.304 4.315 1.00 0.00 N ATOM 1331 CA LEU A 80 10.499 -3.027 2.882 1.00 0.00 C ATOM 1332 C LEU A 80 11.801 -2.363 2.450 1.00 0.00 C ATOM 1333 O LEU A 80 12.376 -2.706 1.417 1.00 0.00 O ATOM 1334 CB LEU A 80 9.314 -2.130 2.520 1.00 0.00 C ATOM 1335 CG LEU A 80 7.951 -2.619 3.023 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.425 -1.706 4.120 1.00 0.00 C ATOM 1337 CD2 LEU A 80 6.956 -2.702 1.873 1.00 0.00 C ATOM 0 H LEU A 80 9.703 -2.940 4.821 1.00 0.00 H new ATOM 0 HA LEU A 80 10.400 -3.976 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.496 -1.134 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.270 -2.033 1.435 1.00 0.00 H new ATOM 0 HG LEU A 80 8.078 -3.618 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.457 -2.070 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.126 -1.698 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.314 -0.694 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.994 -3.051 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.835 -1.716 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.326 -3.399 1.121 1.00 0.00 H new ATOM 1349 N THR A 81 12.264 -1.412 3.255 1.00 0.00 N ATOM 1350 CA THR A 81 13.501 -0.700 2.963 1.00 0.00 C ATOM 1351 C THR A 81 14.706 -1.611 3.165 1.00 0.00 C ATOM 1352 O THR A 81 15.659 -1.579 2.388 1.00 0.00 O ATOM 1353 CB THR A 81 13.625 0.537 3.852 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.424 0.197 5.214 1.00 0.00 O ATOM 1355 CG2 THR A 81 12.637 1.627 3.500 1.00 0.00 C ATOM 0 H THR A 81 11.800 -1.117 4.114 1.00 0.00 H new ATOM 0 HA THR A 81 13.475 -0.384 1.920 1.00 0.00 H new ATOM 0 HB THR A 81 14.633 0.915 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.496 0.389 5.466 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.779 2.476 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.798 1.945 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.621 1.246 3.607 1.00 0.00 H new ATOM 1363 N ARG A 82 14.652 -2.427 4.213 1.00 0.00 N ATOM 1364 CA ARG A 82 15.736 -3.354 4.515 1.00 0.00 C ATOM 1365 C ARG A 82 15.937 -4.335 3.366 1.00 0.00 C ATOM 1366 O ARG A 82 17.050 -4.803 3.123 1.00 0.00 O ATOM 1367 CB ARG A 82 15.439 -4.114 5.809 1.00 0.00 C ATOM 1368 CG ARG A 82 15.135 -3.209 6.992 1.00 0.00 C ATOM 1369 CD ARG A 82 16.191 -3.334 8.079 1.00 0.00 C ATOM 1370 NE ARG A 82 16.355 -4.716 8.526 1.00 0.00 N ATOM 1371 CZ ARG A 82 17.077 -5.072 9.586 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.701 -4.151 10.311 1.00 0.00 N ATOM 1373 NH2 ARG A 82 17.175 -6.351 9.923 1.00 0.00 N ATOM 0 H ARG A 82 13.870 -2.465 4.867 1.00 0.00 H new ATOM 0 HA ARG A 82 16.653 -2.780 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.591 -4.778 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.294 -4.744 6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.080 -2.174 6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.158 -3.462 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.143 -2.959 7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.914 -2.709 8.928 1.00 0.00 H new ATOM 0 HE ARG A 82 15.889 -5.451 7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.628 -3.166 10.056 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.253 -4.429 11.122 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.697 -7.062 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.728 -6.623 10.735 1.00 0.00 H new ATOM 1387 N LYS A 83 14.852 -4.641 2.660 1.00 0.00 N ATOM 1388 CA LYS A 83 14.904 -5.565 1.534 1.00 0.00 C ATOM 1389 C LYS A 83 15.852 -5.049 0.457 1.00 0.00 C ATOM 1390 O LYS A 83 16.488 -4.009 0.622 1.00 0.00 O ATOM 1391 CB LYS A 83 13.506 -5.762 0.946 1.00 0.00 C ATOM 1392 CG LYS A 83 12.694 -6.833 1.655 1.00 0.00 C ATOM 1393 CD LYS A 83 11.410 -7.148 0.903 1.00 0.00 C ATOM 1394 CE LYS A 83 11.620 -8.257 -0.116 1.00 0.00 C ATOM 1395 NZ LYS A 83 11.490 -9.607 0.496 1.00 0.00 N ATOM 0 H LYS A 83 13.925 -4.261 2.849 1.00 0.00 H new ATOM 0 HA LYS A 83 15.277 -6.523 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.965 -4.817 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.598 -6.025 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.292 -7.739 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.453 -6.500 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.636 -7.444 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.053 -6.251 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.893 -8.152 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.608 -8.156 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.640 -10.334 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.201 -9.717 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.538 -9.714 0.901 1.00 0.00 H new ATOM 1409 N ARG A 84 15.937 -5.781 -0.650 1.00 0.00 N ATOM 1410 CA ARG A 84 16.805 -5.394 -1.753 1.00 0.00 C ATOM 1411 C ARG A 84 16.024 -4.615 -2.809 1.00 0.00 C ATOM 1412 O ARG A 84 15.801 -5.099 -3.918 1.00 0.00 O ATOM 1413 CB ARG A 84 17.458 -6.631 -2.377 1.00 0.00 C ATOM 1414 CG ARG A 84 18.959 -6.703 -2.152 1.00 0.00 C ATOM 1415 CD ARG A 84 19.309 -6.642 -0.674 1.00 0.00 C ATOM 1416 NE ARG A 84 20.341 -5.645 -0.395 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.658 -5.228 0.828 1.00 0.00 C ATOM 1418 NH1 ARG A 84 20.027 -5.718 1.888 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.611 -4.319 0.992 1.00 0.00 N ATOM 0 H ARG A 84 15.416 -6.644 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 84 17.589 -4.746 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.993 -7.526 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.259 -6.636 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 84 19.347 -7.627 -2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 84 19.445 -5.880 -2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.413 -6.407 -0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.653 -7.622 -0.342 1.00 0.00 H new ATOM 0 HE ARG A 84 20.848 -5.245 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.295 -6.418 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 84 20.274 -5.395 2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 84 22.100 -3.941 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.855 -3.999 1.929 1.00 0.00 H new ATOM 1433 N GLY A 85 15.610 -3.404 -2.451 1.00 0.00 N ATOM 1434 CA GLY A 85 14.859 -2.575 -3.375 1.00 0.00 C ATOM 1435 C GLY A 85 13.383 -2.917 -3.398 1.00 0.00 C ATOM 1436 O GLY A 85 12.860 -3.366 -4.419 1.00 0.00 O ATOM 0 H GLY A 85 15.781 -2.982 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.981 -1.528 -3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.271 -2.691 -4.378 1.00 0.00 H new ATOM 1440 N ALA A 86 12.707 -2.702 -2.272 1.00 0.00 N ATOM 1441 CA ALA A 86 11.280 -2.987 -2.172 1.00 0.00 C ATOM 1442 C ALA A 86 10.445 -1.752 -2.502 1.00 0.00 C ATOM 1443 O ALA A 86 9.315 -1.616 -2.038 1.00 0.00 O ATOM 1444 CB ALA A 86 10.943 -3.497 -0.779 1.00 0.00 C ATOM 0 H ALA A 86 13.124 -2.332 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 86 11.037 -3.760 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.875 -3.706 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.504 -4.410 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.208 -2.740 -0.041 1.00 0.00 H new ATOM 1450 N GLU A 87 11.008 -0.854 -3.306 1.00 0.00 N ATOM 1451 CA GLU A 87 10.316 0.369 -3.694 1.00 0.00 C ATOM 1452 C GLU A 87 9.608 0.193 -5.036 1.00 0.00 C ATOM 1453 O GLU A 87 9.995 -0.648 -5.849 1.00 0.00 O ATOM 1454 CB GLU A 87 11.304 1.536 -3.772 1.00 0.00 C ATOM 1455 CG GLU A 87 10.999 2.660 -2.795 1.00 0.00 C ATOM 1456 CD GLU A 87 10.321 3.840 -3.460 1.00 0.00 C ATOM 1457 OE1 GLU A 87 9.643 3.635 -4.489 1.00 0.00 O ATOM 1458 OE2 GLU A 87 10.467 4.973 -2.951 1.00 0.00 O ATOM 0 H GLU A 87 11.943 -0.952 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 87 9.565 0.589 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.310 1.163 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.301 1.937 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.360 2.280 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.926 2.993 -2.329 1.00 0.00 H new ATOM 1465 N ILE A 88 8.571 0.996 -5.262 1.00 0.00 N ATOM 1466 CA ILE A 88 7.811 0.934 -6.504 1.00 0.00 C ATOM 1467 C ILE A 88 7.575 2.328 -7.072 1.00 0.00 C ATOM 1468 O ILE A 88 7.982 3.328 -6.480 1.00 0.00 O ATOM 1469 CB ILE A 88 6.451 0.241 -6.306 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.768 0.755 -5.041 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.625 -1.268 -6.245 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.314 1.103 -5.253 1.00 0.00 C ATOM 0 H ILE A 88 8.239 1.697 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 88 8.407 0.349 -7.205 1.00 0.00 H new ATOM 0 HB ILE A 88 5.816 0.478 -7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.844 -0.002 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.298 1.637 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.653 -1.741 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.069 -1.621 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.278 -1.526 -5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.886 1.462 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.233 1.882 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.772 0.217 -5.584 1.00 0.00 H new ATOM 1484 N LEU A 89 6.912 2.390 -8.223 1.00 0.00 N ATOM 1485 CA LEU A 89 6.620 3.664 -8.866 1.00 0.00 C ATOM 1486 C LEU A 89 5.237 4.172 -8.462 1.00 0.00 C ATOM 1487 O LEU A 89 4.385 3.396 -8.032 1.00 0.00 O ATOM 1488 CB LEU A 89 6.704 3.526 -10.388 1.00 0.00 C ATOM 1489 CG LEU A 89 5.678 2.578 -11.011 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.259 3.078 -12.386 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.244 1.168 -11.101 1.00 0.00 C ATOM 0 H LEU A 89 6.568 1.573 -8.728 1.00 0.00 H new ATOM 0 HA LEU A 89 7.364 4.388 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.582 4.513 -10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.703 3.179 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 89 4.795 2.553 -10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.529 2.392 -12.816 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.815 4.069 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.133 3.131 -13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.502 0.506 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.142 1.175 -11.719 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.495 0.812 -10.102 1.00 0.00 H new ATOM 1503 N PRO A 90 4.995 5.488 -8.593 1.00 0.00 N ATOM 1504 CA PRO A 90 3.711 6.096 -8.239 1.00 0.00 C ATOM 1505 C PRO A 90 2.619 5.757 -9.246 1.00 0.00 C ATOM 1506 O PRO A 90 1.457 5.578 -8.883 1.00 0.00 O ATOM 1507 CB PRO A 90 3.997 7.608 -8.255 1.00 0.00 C ATOM 1508 CG PRO A 90 5.477 7.747 -8.428 1.00 0.00 C ATOM 1509 CD PRO A 90 5.946 6.487 -9.094 1.00 0.00 C ATOM 0 HA PRO A 90 3.347 5.733 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.462 8.098 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.667 8.077 -7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.717 8.620 -9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.969 7.884 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.915 6.567 -10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.973 6.242 -8.821 1.00 0.00 H new ATOM 1517 N ARG A 91 3.005 5.674 -10.516 1.00 0.00 N ATOM 1518 CA ARG A 91 2.062 5.361 -11.587 1.00 0.00 C ATOM 1519 C ARG A 91 1.300 4.071 -11.293 1.00 0.00 C ATOM 1520 O ARG A 91 0.070 4.051 -11.304 1.00 0.00 O ATOM 1521 CB ARG A 91 2.802 5.238 -12.921 1.00 0.00 C ATOM 1522 CG ARG A 91 2.283 6.182 -13.994 1.00 0.00 C ATOM 1523 CD ARG A 91 0.970 5.687 -14.583 1.00 0.00 C ATOM 1524 NE ARG A 91 0.925 5.855 -16.033 1.00 0.00 N ATOM 1525 CZ ARG A 91 1.533 5.043 -16.895 1.00 0.00 C ATOM 1526 NH1 ARG A 91 2.233 4.005 -16.454 1.00 0.00 N ATOM 1527 NH2 ARG A 91 1.439 5.267 -18.198 1.00 0.00 N ATOM 0 H ARG A 91 3.965 5.819 -10.829 1.00 0.00 H new ATOM 0 HA ARG A 91 1.340 6.176 -11.649 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.862 5.434 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.719 4.212 -13.280 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.141 7.175 -13.569 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.025 6.278 -14.786 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.835 4.634 -14.335 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.141 6.230 -14.129 1.00 0.00 H new ATOM 0 HE ARG A 91 0.396 6.642 -16.408 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.306 3.828 -15.452 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.698 3.385 -17.117 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.900 6.062 -18.541 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.905 4.644 -18.858 1.00 0.00 H new ATOM 1541 N GLN A 92 2.039 2.996 -11.035 1.00 0.00 N ATOM 1542 CA GLN A 92 1.434 1.700 -10.743 1.00 0.00 C ATOM 1543 C GLN A 92 0.628 1.747 -9.448 1.00 0.00 C ATOM 1544 O GLN A 92 -0.499 1.256 -9.388 1.00 0.00 O ATOM 1545 CB GLN A 92 2.517 0.623 -10.643 1.00 0.00 C ATOM 1546 CG GLN A 92 2.773 -0.109 -11.950 1.00 0.00 C ATOM 1547 CD GLN A 92 2.413 -1.580 -11.878 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.625 -2.232 -10.854 1.00 0.00 O ATOM 1549 NE2 GLN A 92 1.870 -2.112 -12.966 1.00 0.00 N ATOM 0 H GLN A 92 3.059 2.997 -11.022 1.00 0.00 H new ATOM 0 HA GLN A 92 0.755 1.454 -11.559 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.446 1.084 -10.307 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.227 -0.101 -9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.196 0.363 -12.745 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.825 -0.009 -12.217 1.00 0.00 H new ATOM 0 HE21 GLN A 92 1.712 -1.535 -13.792 1.00 0.00 H new ATOM 0 HE22 GLN A 92 1.610 -3.098 -12.976 1.00 0.00 H new ATOM 1558 N PHE A 93 1.216 2.340 -8.414 1.00 0.00 N ATOM 1559 CA PHE A 93 0.559 2.452 -7.117 1.00 0.00 C ATOM 1560 C PHE A 93 -0.799 3.132 -7.249 1.00 0.00 C ATOM 1561 O PHE A 93 -1.817 2.598 -6.808 1.00 0.00 O ATOM 1562 CB PHE A 93 1.441 3.234 -6.142 1.00 0.00 C ATOM 1563 CG PHE A 93 0.867 3.331 -4.758 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.563 2.189 -4.038 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.634 4.568 -4.177 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.037 2.275 -2.762 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.107 4.661 -2.903 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.191 3.514 -2.195 1.00 0.00 C ATOM 0 H PHE A 93 2.149 2.751 -8.450 1.00 0.00 H new ATOM 0 HA PHE A 93 0.403 1.445 -6.730 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.420 2.757 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.597 4.239 -6.533 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.739 1.219 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.867 5.468 -4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.195 1.376 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.072 5.630 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.602 3.585 -1.199 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.809 4.307 -7.867 1.00 0.00 N ATOM 1579 CA GLU A 94 -2.048 5.046 -8.061 1.00 0.00 C ATOM 1580 C GLU A 94 -2.911 4.380 -9.128 1.00 0.00 C ATOM 1581 O GLU A 94 -4.123 4.590 -9.178 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.759 6.500 -8.439 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.346 7.500 -7.456 1.00 0.00 C ATOM 1584 CD GLU A 94 -1.528 7.616 -6.185 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.607 8.459 -6.147 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -1.809 6.863 -5.228 1.00 0.00 O ATOM 0 H GLU A 94 0.022 4.765 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.597 5.039 -7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.680 6.647 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.161 6.698 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.410 8.478 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.363 7.201 -7.203 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.285 3.557 -9.971 1.00 0.00 N ATOM 1594 CA GLU A 95 -3.012 2.847 -11.014 1.00 0.00 C ATOM 1595 C GLU A 95 -4.069 1.962 -10.376 1.00 0.00 C ATOM 1596 O GLU A 95 -5.239 1.989 -10.756 1.00 0.00 O ATOM 1597 CB GLU A 95 -2.054 1.998 -11.853 1.00 0.00 C ATOM 1598 CG GLU A 95 -2.136 2.283 -13.343 1.00 0.00 C ATOM 1599 CD GLU A 95 -3.458 1.854 -13.947 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -3.731 0.636 -13.972 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -4.221 2.735 -14.395 1.00 0.00 O ATOM 0 H GLU A 95 -1.283 3.369 -9.949 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.492 3.573 -11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.033 2.174 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.270 0.944 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.992 3.350 -13.513 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.323 1.766 -13.853 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.639 1.189 -9.387 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.536 0.305 -8.667 1.00 0.00 C ATOM 1610 C ILE A 96 -5.432 1.105 -7.735 1.00 0.00 C ATOM 1611 O ILE A 96 -6.602 0.774 -7.540 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.750 -0.733 -7.852 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.640 -1.342 -8.710 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.683 -1.812 -7.327 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.122 -1.862 -10.049 1.00 0.00 C ATOM 0 H ILE A 96 -2.671 1.159 -9.067 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.150 -0.217 -9.401 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.292 -0.237 -6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.869 -0.590 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.174 -2.159 -8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.111 -2.540 -6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.440 -1.359 -6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.168 -2.313 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.280 -2.279 -10.602 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.871 -2.637 -9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.562 -1.044 -10.620 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.877 2.175 -7.173 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.625 3.044 -6.273 1.00 0.00 C ATOM 1629 C TRP A 97 -6.898 3.528 -6.955 1.00 0.00 C ATOM 1630 O TRP A 97 -7.961 3.601 -6.339 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.768 4.241 -5.855 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.159 4.822 -4.532 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.449 6.130 -4.264 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.300 4.118 -3.294 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.767 6.279 -2.934 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.681 5.058 -2.318 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.142 2.782 -2.918 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.906 4.701 -0.989 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.364 2.429 -1.602 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.743 3.383 -0.651 1.00 0.00 C ATOM 0 H TRP A 97 -3.910 2.461 -7.326 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.892 2.477 -5.381 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.723 3.933 -5.813 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.842 5.015 -6.619 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.431 6.930 -4.990 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.025 7.155 -2.480 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.851 2.038 -3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.198 5.436 -0.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.243 1.399 -1.301 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.910 3.074 0.370 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.780 3.840 -8.240 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.914 4.302 -9.027 1.00 0.00 C ATOM 1653 C GLU A 98 -8.698 3.116 -9.584 1.00 0.00 C ATOM 1654 O GLU A 98 -9.893 3.223 -9.862 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.439 5.203 -10.170 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.285 6.451 -10.354 1.00 0.00 C ATOM 1657 CD GLU A 98 -8.549 6.767 -11.813 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -7.607 7.203 -12.507 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -9.701 6.580 -12.263 1.00 0.00 O ATOM 0 H GLU A 98 -5.905 3.781 -8.760 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.571 4.879 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.407 5.499 -9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.444 4.631 -11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.236 6.321 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.782 7.298 -9.888 1.00 0.00 H new ATOM 1666 N ARG A 99 -8.014 1.986 -9.746 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.640 0.777 -10.272 1.00 0.00 C ATOM 1668 C ARG A 99 -9.842 0.368 -9.425 1.00 0.00 C ATOM 1669 O ARG A 99 -10.942 0.181 -9.944 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.627 -0.366 -10.322 1.00 0.00 C ATOM 1671 CG ARG A 99 -8.009 -1.478 -11.286 1.00 0.00 C ATOM 1672 CD ARG A 99 -7.128 -1.473 -12.524 1.00 0.00 C ATOM 1673 NE ARG A 99 -7.459 -0.374 -13.428 1.00 0.00 N ATOM 1674 CZ ARG A 99 -8.484 -0.394 -14.276 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -9.281 -1.454 -14.341 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -8.714 0.649 -15.064 1.00 0.00 N ATOM 0 H ARG A 99 -7.025 1.883 -9.520 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.988 0.992 -11.282 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.655 0.034 -10.609 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.516 -0.786 -9.322 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.925 -2.441 -10.783 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.052 -1.362 -11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.083 -1.394 -12.225 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.238 -2.421 -13.051 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.869 0.458 -13.408 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.109 -2.259 -13.739 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.065 -1.463 -14.993 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.105 1.466 -15.019 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.500 0.634 -15.714 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.621 0.227 -8.122 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.687 -0.162 -7.206 1.00 0.00 C ATOM 1692 C CYS A 100 -11.508 1.051 -6.774 1.00 0.00 C ATOM 1693 O CYS A 100 -12.620 1.263 -7.256 1.00 0.00 O ATOM 1694 CB CYS A 100 -10.100 -0.864 -5.978 1.00 0.00 C ATOM 1695 SG CYS A 100 -11.336 -1.394 -4.768 1.00 0.00 S ATOM 0 H CYS A 100 -8.715 0.376 -7.677 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.348 -0.853 -7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.533 -1.735 -6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.395 -0.191 -5.490 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.763 -1.581 -3.616 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.952 1.844 -5.863 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.648 3.024 -5.383 1.00 0.00 C ATOM 1703 C GLY A 101 -10.903 3.725 -4.265 1.00 0.00 C ATOM 1704 O GLY A 101 -11.512 4.208 -3.310 1.00 0.00 O ATOM 0 H GLY A 101 -10.033 1.691 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.791 3.719 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.639 2.739 -5.031 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.581 3.780 -4.382 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.768 4.426 -3.369 1.00 0.00 C ATOM 1710 C GLY A 102 -9.136 5.884 -3.175 1.00 0.00 C ATOM 1711 O GLY A 102 -9.562 6.286 -2.094 1.00 0.00 O ATOM 0 H GLY A 102 -9.056 3.387 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.882 3.896 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.717 4.354 -3.650 1.00 0.00 H new ATOM 1715 N ILE A 103 -8.970 6.678 -4.229 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.284 8.099 -4.176 1.00 0.00 C ATOM 1717 C ILE A 103 -10.704 8.333 -3.672 1.00 0.00 C ATOM 1718 O ILE A 103 -10.958 9.272 -2.915 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.122 8.755 -5.558 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -7.772 8.374 -6.163 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.255 10.266 -5.448 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.850 7.223 -7.139 1.00 0.00 C ATOM 0 H ILE A 103 -8.619 6.358 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.581 8.555 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.912 8.392 -6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.353 9.242 -6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.084 8.112 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.138 10.714 -6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.238 10.517 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.484 10.651 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.855 7.008 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.239 6.341 -6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.512 7.489 -7.963 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.626 7.471 -4.089 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.018 7.582 -3.672 1.00 0.00 C ATOM 1736 C GLN A 104 -13.152 7.306 -2.179 1.00 0.00 C ATOM 1737 O GLN A 104 -13.909 7.976 -1.476 1.00 0.00 O ATOM 1738 CB GLN A 104 -13.892 6.608 -4.465 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.446 7.197 -5.752 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.425 7.216 -6.873 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -13.509 6.432 -7.818 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.452 8.114 -6.771 1.00 0.00 N ATOM 0 H GLN A 104 -11.434 6.689 -4.715 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.355 8.599 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.307 5.720 -4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.722 6.284 -3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.315 6.619 -6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.791 8.214 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.422 8.744 -5.970 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.735 8.173 -7.494 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.406 6.316 -1.700 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.431 5.950 -0.290 1.00 0.00 C ATOM 1753 C TYR A 105 -11.778 7.040 0.557 1.00 0.00 C ATOM 1754 O TYR A 105 -12.270 7.385 1.631 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.713 4.614 -0.076 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.534 4.240 1.379 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.610 4.247 2.256 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.285 3.880 1.874 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.448 3.907 3.586 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.116 3.538 3.203 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.200 3.553 4.053 1.00 0.00 C ATOM 1762 OH TYR A 105 -11.035 3.213 5.377 1.00 0.00 O ATOM 0 H TYR A 105 -11.775 5.752 -2.270 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.470 5.844 0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.276 3.826 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.734 4.659 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.589 4.522 1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.434 3.867 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.295 3.919 4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.140 3.261 3.573 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.085 3.051 5.557 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.667 7.576 0.061 1.00 0.00 N ATOM 1773 CA LEU A 106 -9.946 8.627 0.767 1.00 0.00 C ATOM 1774 C LEU A 106 -10.757 9.920 0.793 1.00 0.00 C ATOM 1775 O LEU A 106 -10.946 10.524 1.847 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.586 8.867 0.114 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.386 8.639 1.033 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -7.291 9.747 2.070 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.480 7.278 1.707 1.00 0.00 C ATOM 0 H LEU A 106 -10.247 7.299 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.790 8.302 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.493 8.211 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.552 9.891 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.480 8.658 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.431 9.568 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.174 10.707 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.200 9.761 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.617 7.134 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.393 7.228 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.497 6.496 0.948 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.236 10.337 -0.376 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.029 11.556 -0.488 1.00 0.00 C ATOM 1793 C GLN A 107 -13.317 11.448 0.323 1.00 0.00 C ATOM 1794 O GLN A 107 -13.842 12.449 0.809 1.00 0.00 O ATOM 1795 CB GLN A 107 -12.347 11.847 -1.958 1.00 0.00 C ATOM 1796 CG GLN A 107 -13.311 10.855 -2.592 1.00 0.00 C ATOM 1797 CD GLN A 107 -14.753 11.100 -2.190 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -15.471 10.173 -1.818 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -15.183 12.354 -2.266 1.00 0.00 N ATOM 0 H GLN A 107 -11.088 9.848 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.444 12.382 -0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.770 12.849 -2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.417 11.848 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.226 10.915 -3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.025 9.843 -2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.552 13.091 -2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.144 12.580 -2.010 1.00 0.00 H new ATOM 1808 N SER A 108 -13.821 10.226 0.460 1.00 0.00 N ATOM 1809 CA SER A 108 -15.050 9.981 1.210 1.00 0.00 C ATOM 1810 C SER A 108 -14.835 10.232 2.698 1.00 0.00 C ATOM 1811 O SER A 108 -15.592 10.970 3.329 1.00 0.00 O ATOM 1812 CB SER A 108 -15.532 8.546 0.988 1.00 0.00 C ATOM 1813 OG SER A 108 -16.267 8.437 -0.218 1.00 0.00 O ATOM 0 H SER A 108 -13.397 9.388 0.061 1.00 0.00 H new ATOM 0 HA SER A 108 -15.811 10.672 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.676 7.872 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.154 8.234 1.827 1.00 0.00 H new ATOM 0 HG SER A 108 -15.732 8.788 -0.960 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.785 9.633 3.250 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.462 9.816 4.658 1.00 0.00 C ATOM 1821 C ALA A 109 -12.938 11.224 4.876 1.00 0.00 C ATOM 1822 O ALA A 109 -13.197 11.859 5.900 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.435 8.785 5.106 1.00 0.00 C ATOM 0 H ALA A 109 -13.146 9.019 2.745 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.363 9.675 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.204 8.936 6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.839 7.783 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.525 8.898 4.516 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.213 11.710 3.878 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.647 13.045 3.904 1.00 0.00 C ATOM 1831 C ILE A 110 -12.742 14.087 4.124 1.00 0.00 C ATOM 1832 O ILE A 110 -12.593 15.004 4.933 1.00 0.00 O ATOM 1833 CB ILE A 110 -10.909 13.329 2.577 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.507 12.725 2.609 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -10.840 14.816 2.289 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -8.888 12.572 1.235 1.00 0.00 C ATOM 0 H ILE A 110 -12.002 11.187 3.028 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.938 13.106 4.730 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.476 12.861 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.862 13.354 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.551 11.748 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.314 14.980 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.850 15.220 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.306 15.318 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.893 12.137 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.512 11.919 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.813 13.550 0.759 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.842 13.931 3.397 1.00 0.00 N ATOM 1849 CA GLU A 111 -14.971 14.850 3.504 1.00 0.00 C ATOM 1850 C GLU A 111 -15.687 14.684 4.840 1.00 0.00 C ATOM 1851 O GLU A 111 -16.082 15.665 5.469 1.00 0.00 O ATOM 1852 CB GLU A 111 -15.952 14.622 2.353 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.456 15.155 1.018 1.00 0.00 C ATOM 1854 CD GLU A 111 -15.297 16.662 1.015 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -16.109 17.346 1.673 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -14.362 17.160 0.355 1.00 0.00 O ATOM 0 H GLU A 111 -13.977 13.175 2.725 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.584 15.867 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.147 13.554 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -16.901 15.099 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.499 14.692 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.155 14.866 0.233 1.00 0.00 H new ATOM 1863 N SER A 112 -15.852 13.436 5.268 1.00 0.00 N ATOM 1864 CA SER A 112 -16.521 13.145 6.531 1.00 0.00 C ATOM 1865 C SER A 112 -15.606 13.423 7.725 1.00 0.00 C ATOM 1866 O SER A 112 -16.031 13.312 8.876 1.00 0.00 O ATOM 1867 CB SER A 112 -16.994 11.691 6.563 1.00 0.00 C ATOM 1868 OG SER A 112 -15.947 10.806 6.211 1.00 0.00 O ATOM 0 H SER A 112 -15.532 12.612 4.760 1.00 0.00 H new ATOM 0 HA SER A 112 -17.386 13.804 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 112 -17.361 11.447 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 112 -17.830 11.562 5.875 1.00 0.00 H new ATOM 0 HG SER A 112 -15.086 11.265 6.301 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.350 13.781 7.445 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.370 14.079 8.489 1.00 0.00 C ATOM 1876 C ARG A 113 -12.864 12.803 9.156 1.00 0.00 C ATOM 1877 O ARG A 113 -12.390 12.831 10.291 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.952 15.029 9.542 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.320 16.396 8.988 1.00 0.00 C ATOM 1880 CD ARG A 113 -13.082 17.196 8.621 1.00 0.00 C ATOM 1881 NE ARG A 113 -12.085 17.181 9.689 1.00 0.00 N ATOM 1882 CZ ARG A 113 -10.789 17.425 9.501 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -10.328 17.710 8.289 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -9.952 17.386 10.530 1.00 0.00 N ATOM 0 H ARG A 113 -13.987 13.872 6.496 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.526 14.573 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.839 14.573 9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.227 15.155 10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.952 16.276 8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.904 16.945 9.727 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.644 16.788 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.367 18.226 8.405 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.400 16.971 10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.967 17.743 7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.334 17.896 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.301 17.169 11.464 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.959 17.573 10.387 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.953 11.692 8.436 1.00 0.00 N ATOM 1899 CA GLN A 114 -12.487 10.411 8.949 1.00 0.00 C ATOM 1900 C GLN A 114 -11.022 10.191 8.579 1.00 0.00 C ATOM 1901 O GLN A 114 -10.306 9.444 9.244 1.00 0.00 O ATOM 1902 CB GLN A 114 -13.344 9.270 8.395 1.00 0.00 C ATOM 1903 CG GLN A 114 -14.698 9.141 9.074 1.00 0.00 C ATOM 1904 CD GLN A 114 -14.994 7.724 9.525 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -16.021 7.148 9.169 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -14.091 7.155 10.316 1.00 0.00 N ATOM 0 H GLN A 114 -13.344 11.653 7.495 1.00 0.00 H new ATOM 0 HA GLN A 114 -12.577 10.422 10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -13.496 9.426 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.800 8.332 8.506 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.732 9.807 9.936 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.477 9.469 8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.253 7.670 10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -14.236 6.203 10.653 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.584 10.857 7.510 1.00 0.00 N ATOM 1916 CA ALA A 115 -9.208 10.747 7.046 1.00 0.00 C ATOM 1917 C ALA A 115 -8.394 11.967 7.465 1.00 0.00 C ATOM 1918 O ALA A 115 -8.572 13.058 6.924 1.00 0.00 O ATOM 1919 CB ALA A 115 -9.176 10.586 5.533 1.00 0.00 C ATOM 0 H ALA A 115 -11.167 11.479 6.950 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.761 9.865 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.142 10.505 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.721 9.685 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.642 11.453 5.065 1.00 0.00 H new ATOM 1925 N ARG A 116 -7.503 11.777 8.432 1.00 0.00 N ATOM 1926 CA ARG A 116 -6.664 12.866 8.923 1.00 0.00 C ATOM 1927 C ARG A 116 -5.872 13.503 7.781 1.00 0.00 C ATOM 1928 O ARG A 116 -5.307 12.799 6.944 1.00 0.00 O ATOM 1929 CB ARG A 116 -5.704 12.352 9.998 1.00 0.00 C ATOM 1930 CG ARG A 116 -4.660 11.380 9.472 1.00 0.00 C ATOM 1931 CD ARG A 116 -4.335 10.296 10.490 1.00 0.00 C ATOM 1932 NE ARG A 116 -2.915 10.268 10.825 1.00 0.00 N ATOM 1933 CZ ARG A 116 -2.339 9.303 11.539 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -3.058 8.284 11.994 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -1.038 9.356 11.796 1.00 0.00 N ATOM 0 H ARG A 116 -7.343 10.881 8.891 1.00 0.00 H new ATOM 0 HA ARG A 116 -7.315 13.625 9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.198 13.202 10.457 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -6.280 11.862 10.783 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.022 10.919 8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.751 11.925 9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.918 10.463 11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.633 9.325 10.094 1.00 0.00 H new ATOM 0 HE ARG A 116 -2.329 11.033 10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.058 8.237 11.797 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -2.611 7.548 12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.480 10.135 11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.596 8.617 12.343 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.823 14.849 7.727 1.00 0.00 N ATOM 1950 CA PRO A 117 -5.095 15.573 6.676 1.00 0.00 C ATOM 1951 C PRO A 117 -3.650 15.105 6.538 1.00 0.00 C ATOM 1952 O PRO A 117 -2.736 15.696 7.112 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.141 17.027 7.151 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.363 17.104 7.997 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.472 15.769 8.679 1.00 0.00 C ATOM 0 HA PRO A 117 -5.538 15.415 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.248 17.287 7.719 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.196 17.718 6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.284 17.910 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.246 17.307 7.391 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.969 15.769 9.646 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.511 15.493 8.860 1.00 0.00 H new ATOM 1963 N THR A 118 -3.452 14.042 5.766 1.00 0.00 N ATOM 1964 CA THR A 118 -2.122 13.491 5.542 1.00 0.00 C ATOM 1965 C THR A 118 -1.651 13.798 4.125 1.00 0.00 C ATOM 1966 O THR A 118 -2.342 14.483 3.369 1.00 0.00 O ATOM 1967 CB THR A 118 -2.125 11.980 5.777 1.00 0.00 C ATOM 1968 OG1 THR A 118 -3.298 11.392 5.245 1.00 0.00 O ATOM 1969 CG2 THR A 118 -2.047 11.602 7.242 1.00 0.00 C ATOM 0 H THR A 118 -4.200 13.544 5.283 1.00 0.00 H new ATOM 0 HA THR A 118 -1.434 13.955 6.249 1.00 0.00 H new ATOM 0 HB THR A 118 -1.233 11.608 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.068 11.641 5.798 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.053 10.516 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.127 11.999 7.672 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.904 12.018 7.771 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.478 13.290 3.766 1.00 0.00 N ATOM 1978 CA TYR A 119 0.070 13.516 2.434 1.00 0.00 C ATOM 1979 C TYR A 119 -0.876 12.985 1.363 1.00 0.00 C ATOM 1980 O TYR A 119 -1.011 13.575 0.290 1.00 0.00 O ATOM 1981 CB TYR A 119 1.439 12.849 2.295 1.00 0.00 C ATOM 1982 CG TYR A 119 2.068 13.044 0.935 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.727 12.224 -0.133 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.998 14.051 0.718 1.00 0.00 C ATOM 1985 CE1 TYR A 119 2.297 12.402 -1.379 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.573 14.235 -0.525 1.00 0.00 C ATOM 1987 CZ TYR A 119 3.218 13.410 -1.571 1.00 0.00 C ATOM 1988 OH TYR A 119 3.787 13.591 -2.810 1.00 0.00 O ATOM 0 H TYR A 119 0.110 12.721 4.375 1.00 0.00 H new ATOM 0 HA TYR A 119 0.186 14.591 2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 119 2.108 13.249 3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 119 1.336 11.781 2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 119 1.005 11.435 0.013 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.277 14.701 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 119 2.022 11.755 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.297 15.022 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 119 4.414 14.344 -2.775 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.528 11.867 1.661 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.461 11.254 0.724 1.00 0.00 C ATOM 2000 C ALA A 120 -3.712 12.109 0.556 1.00 0.00 C ATOM 2001 O ALA A 120 -4.104 12.435 -0.565 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.836 9.857 1.191 1.00 0.00 C ATOM 0 H ALA A 120 -1.427 11.367 2.544 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.968 11.182 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.533 9.411 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.939 9.241 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.305 9.915 2.173 1.00 0.00 H new ATOM 2008 N THR A 121 -4.337 12.469 1.674 1.00 0.00 N ATOM 2009 CA THR A 121 -5.544 13.285 1.642 1.00 0.00 C ATOM 2010 C THR A 121 -5.281 14.615 0.945 1.00 0.00 C ATOM 2011 O THR A 121 -6.022 15.012 0.046 1.00 0.00 O ATOM 2012 CB THR A 121 -6.068 13.524 3.057 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.125 14.248 3.826 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.382 12.242 3.799 1.00 0.00 C ATOM 0 H THR A 121 -4.027 12.209 2.610 1.00 0.00 H new ATOM 0 HA THR A 121 -6.302 12.744 1.076 1.00 0.00 H new ATOM 0 HB THR A 121 -6.991 14.090 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.220 14.046 3.509 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.750 12.480 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.144 11.684 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.478 11.638 3.880 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.210 15.292 1.350 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.849 16.567 0.742 1.00 0.00 C ATOM 2024 C ALA A 122 -3.643 16.385 -0.756 1.00 0.00 C ATOM 2025 O ALA A 122 -4.192 17.130 -1.573 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.594 17.130 1.394 1.00 0.00 C ATOM 0 H ALA A 122 -3.582 14.981 2.091 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.660 17.278 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.338 18.082 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.774 17.283 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.770 16.429 1.263 1.00 0.00 H new ATOM 2032 N MET A 123 -2.867 15.366 -1.106 1.00 0.00 N ATOM 2033 CA MET A 123 -2.598 15.049 -2.498 1.00 0.00 C ATOM 2034 C MET A 123 -3.896 14.688 -3.207 1.00 0.00 C ATOM 2035 O MET A 123 -4.075 14.981 -4.389 1.00 0.00 O ATOM 2036 CB MET A 123 -1.592 13.899 -2.592 1.00 0.00 C ATOM 2037 CG MET A 123 -0.975 13.738 -3.972 1.00 0.00 C ATOM 2038 SD MET A 123 -1.371 12.152 -4.730 1.00 0.00 S ATOM 2039 CE MET A 123 -3.144 12.105 -4.483 1.00 0.00 C ATOM 0 H MET A 123 -2.412 14.743 -0.438 1.00 0.00 H new ATOM 0 HA MET A 123 -2.166 15.922 -2.987 1.00 0.00 H new ATOM 0 HB2 MET A 123 -0.797 14.063 -1.865 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.089 12.969 -2.315 1.00 0.00 H new ATOM 0 HG2 MET A 123 -1.326 14.543 -4.618 1.00 0.00 H new ATOM 0 HG3 MET A 123 0.108 13.839 -3.896 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.545 11.181 -4.899 1.00 0.00 H new ATOM 0 HE2 MET A 123 -3.364 12.149 -3.416 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.604 12.957 -4.983 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.810 14.064 -2.468 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.104 13.676 -3.015 1.00 0.00 C ATOM 2051 C LEU A 124 -6.898 14.914 -3.415 1.00 0.00 C ATOM 2052 O LEU A 124 -7.409 15.008 -4.532 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.892 12.852 -1.992 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.476 11.542 -2.526 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -6.752 10.346 -1.927 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -8.968 11.464 -2.236 1.00 0.00 C ATOM 0 H LEU A 124 -4.676 13.817 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.937 13.063 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.238 12.624 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.707 13.464 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.334 11.521 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.183 9.425 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -5.695 10.392 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.858 10.362 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.365 10.526 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.132 11.511 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.476 12.299 -2.717 1.00 0.00 H new ATOM 2068 N GLN A 125 -6.990 15.866 -2.493 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.713 17.108 -2.742 1.00 0.00 C ATOM 2070 C GLN A 125 -7.214 17.764 -4.023 1.00 0.00 C ATOM 2071 O GLN A 125 -8.003 18.252 -4.833 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.549 18.070 -1.564 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.220 17.590 -0.288 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.732 17.568 -0.398 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.372 18.610 -0.534 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.312 16.374 -0.338 1.00 0.00 N ATOM 0 H GLN A 125 -6.572 15.801 -1.565 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.771 16.872 -2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.486 18.218 -1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.962 19.041 -1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.862 16.589 -0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.929 18.239 0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.742 15.535 -0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.327 16.296 -0.405 1.00 0.00 H new ATOM 2085 N ASN A 126 -5.898 17.763 -4.201 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.290 18.350 -5.389 1.00 0.00 C ATOM 2087 C ASN A 126 -5.401 17.399 -6.575 1.00 0.00 C ATOM 2088 O ASN A 126 -5.485 17.830 -7.725 1.00 0.00 O ATOM 2089 CB ASN A 126 -3.824 18.694 -5.126 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.668 19.874 -4.187 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -3.370 20.989 -4.615 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.865 19.631 -2.896 1.00 0.00 N ATOM 0 H ASN A 126 -5.233 17.363 -3.539 1.00 0.00 H new ATOM 0 HA ASN A 126 -5.827 19.268 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.320 17.826 -4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.331 18.918 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -3.771 20.384 -2.215 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -4.111 18.691 -2.586 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.412 16.103 -6.286 1.00 0.00 N ATOM 2100 CA LEU A 127 -5.528 15.090 -7.323 1.00 0.00 C ATOM 2101 C LEU A 127 -6.971 14.988 -7.818 1.00 0.00 C ATOM 2102 O LEU A 127 -7.255 14.280 -8.784 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.047 13.741 -6.781 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.490 12.515 -7.579 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.475 11.392 -7.429 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -6.868 12.059 -7.127 1.00 0.00 C ATOM 0 H LEU A 127 -5.342 15.730 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.902 15.376 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.958 13.753 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.402 13.633 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.548 12.786 -8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.804 10.525 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.506 11.726 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.387 11.119 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.170 11.185 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.837 11.801 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.587 12.863 -7.284 1.00 0.00 H new ATOM 2118 N LEU A 128 -7.879 15.699 -7.151 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.287 15.684 -7.530 1.00 0.00 C ATOM 2120 C LEU A 128 -9.523 16.526 -8.780 1.00 0.00 C ATOM 2121 O LEU A 128 -10.361 16.190 -9.618 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.154 16.202 -6.382 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.505 15.163 -5.315 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.166 15.829 -4.119 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.411 14.089 -5.899 1.00 0.00 C ATOM 0 H LEU A 128 -7.664 16.290 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.566 14.653 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -9.636 17.032 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.080 16.601 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.583 14.690 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.409 15.075 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.484 16.562 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.080 16.329 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.652 13.357 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.330 14.547 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -10.901 13.592 -6.724 1.00 0.00 H new ATOM 2137 N LYS A 129 -8.778 17.620 -8.900 1.00 0.00 N ATOM 2138 CA LYS A 129 -8.906 18.509 -10.049 1.00 0.00 C ATOM 2139 C LYS A 129 -7.566 18.692 -10.754 1.00 0.00 C ATOM 2140 O LYS A 129 -6.590 18.025 -10.349 1.00 0.00 O ATOM 2141 CB LYS A 129 -9.461 19.865 -9.620 1.00 0.00 C ATOM 2142 CG LYS A 129 -8.897 20.355 -8.304 1.00 0.00 C ATOM 2143 CD LYS A 129 -7.382 20.408 -8.347 1.00 0.00 C ATOM 2144 CE LYS A 129 -6.829 21.414 -7.351 1.00 0.00 C ATOM 2145 NZ LYS A 129 -5.380 21.677 -7.572 1.00 0.00 N ATOM 2146 OXT LYS A 129 -7.504 19.497 -11.707 1.00 0.00 O ATOM 0 H LYS A 129 -8.080 17.912 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 129 -9.602 18.049 -10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -9.245 20.600 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -10.546 19.796 -9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -9.293 21.346 -8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -9.218 19.695 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.976 19.420 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -7.055 20.673 -9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.384 22.349 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.980 21.042 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.042 22.368 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -4.846 20.790 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.238 22.057 -8.530 1.00 0.00 H new TER 2160 LYS A 129