USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 486 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 27 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -137:sc= -0.0681 (180deg=-0.13) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 64:sc= 0.267 USER MOD Single : A 13 MET CE :methyl 163:sc= -0.381 (180deg=-1.04) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.00144 X(o=-0.0014,f=-0.48) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0211 (180deg=-0.191) USER MOD Single : A 33 ASN : amide:sc=-0.00981 K(o=-0.0098,f=-0.8) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 35 CYS SG : rot -60:sc= -5.09! USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.397 USER MOD Single : A 39 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.8!) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.014) USER MOD Single : A 49 GLN : amide:sc=-0.000746 X(o=-0.00075,f=-0.00075) USER MOD Single : A 50 SER OG : rot 72:sc= 1.02 USER MOD Single : A 53 ASN : amide:sc=-0.00831 X(o=-0.0083,f=-0.25) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 59 MET CE :methyl -133:sc= -0.335 (180deg=-4.07!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.976 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.11) USER MOD Single : A 76 MET CE :methyl -149:sc= 0 (180deg=-0.188) USER MOD Single : A 77 SER OG : rot 130:sc= -0.137 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 87 ASN : amide:sc= -0.161 K(o=-0.16,f=1) USER MOD Single : A 92 ASN : amide:sc= -0.0819 K(o=-0.082,f=-2.6!) USER MOD Single : A 97 TYR OH : rot -49:sc= 0.419 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.838 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 11.719 -12.237 1.120 1.00 0.00 N ATOM 2 CA ASP A 5 12.250 -11.097 0.384 1.00 0.00 C ATOM 3 C ASP A 5 11.198 -10.002 0.241 1.00 0.00 C ATOM 4 O ASP A 5 10.371 -10.037 -0.670 1.00 0.00 O ATOM 5 CB ASP A 5 12.737 -11.536 -0.999 1.00 0.00 C ATOM 6 CG ASP A 5 14.201 -11.214 -1.224 1.00 0.00 C ATOM 7 OD1 ASP A 5 14.637 -10.114 -0.822 1.00 0.00 O ATOM 8 OD2 ASP A 5 14.914 -12.062 -1.802 1.00 0.00 O ATOM 0 HA ASP A 5 13.092 -10.695 0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.582 -12.609 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.138 -11.045 -1.765 1.00 0.00 H new ATOM 11 N LEU A 6 11.241 -9.027 1.145 1.00 0.00 N ATOM 12 CA LEU A 6 10.295 -7.918 1.118 1.00 0.00 C ATOM 13 C LEU A 6 10.614 -6.966 -0.030 1.00 0.00 C ATOM 14 O LEU A 6 9.723 -6.316 -0.579 1.00 0.00 O ATOM 15 CB LEU A 6 10.323 -7.160 2.449 1.00 0.00 C ATOM 16 CG LEU A 6 9.168 -7.477 3.400 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.582 -7.226 4.842 1.00 0.00 C ATOM 18 CD2 LEU A 6 7.943 -6.647 3.044 1.00 0.00 C ATOM 0 H LEU A 6 11.921 -8.983 1.904 1.00 0.00 H new ATOM 0 HA LEU A 6 9.296 -8.326 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.262 -7.382 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.318 -6.090 2.240 1.00 0.00 H new ATOM 0 HG LEU A 6 8.912 -8.531 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.748 -7.457 5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.431 -7.861 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.863 -6.180 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.130 -6.885 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.186 -5.587 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.634 -6.874 2.024 1.00 0.00 H new ATOM 28 N GLY A 7 11.893 -6.890 -0.390 1.00 0.00 N ATOM 29 CA GLY A 7 12.312 -6.018 -1.471 1.00 0.00 C ATOM 30 C GLY A 7 11.849 -6.513 -2.826 1.00 0.00 C ATOM 31 O GLY A 7 11.291 -5.750 -3.615 1.00 0.00 O ATOM 0 H GLY A 7 12.647 -7.418 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.918 -5.016 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.399 -5.938 -1.469 1.00 0.00 H new ATOM 35 N ALA A 8 12.079 -7.796 -3.097 1.00 0.00 N ATOM 36 CA ALA A 8 11.681 -8.395 -4.365 1.00 0.00 C ATOM 37 C ALA A 8 10.174 -8.284 -4.568 1.00 0.00 C ATOM 38 O ALA A 8 9.709 -7.935 -5.654 1.00 0.00 O ATOM 39 CB ALA A 8 12.117 -9.850 -4.424 1.00 0.00 C ATOM 0 H ALA A 8 12.539 -8.440 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 8 12.175 -7.849 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.812 -10.283 -5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.201 -9.909 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.650 -10.403 -3.609 1.00 0.00 H new ATOM 45 N LEU A 9 9.418 -8.574 -3.514 1.00 0.00 N ATOM 46 CA LEU A 9 7.964 -8.495 -3.574 1.00 0.00 C ATOM 47 C LEU A 9 7.523 -7.069 -3.877 1.00 0.00 C ATOM 48 O LEU A 9 6.636 -6.844 -4.701 1.00 0.00 O ATOM 49 CB LEU A 9 7.348 -8.965 -2.259 1.00 0.00 C ATOM 50 CG LEU A 9 5.841 -9.206 -2.305 1.00 0.00 C ATOM 51 CD1 LEU A 9 5.532 -10.469 -3.088 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.277 -9.299 -0.899 1.00 0.00 C ATOM 0 H LEU A 9 9.788 -8.865 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 9 7.617 -9.148 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.840 -9.889 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.559 -8.222 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 9 5.369 -8.363 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.454 -10.628 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.907 -10.366 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.013 -11.321 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.202 -9.471 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.752 -10.125 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.471 -8.368 -0.367 1.00 0.00 H new ATOM 62 N TYR A 10 8.160 -6.110 -3.211 1.00 0.00 N ATOM 63 CA TYR A 10 7.850 -4.700 -3.411 1.00 0.00 C ATOM 64 C TYR A 10 8.052 -4.320 -4.875 1.00 0.00 C ATOM 65 O TYR A 10 7.253 -3.583 -5.453 1.00 0.00 O ATOM 66 CB TYR A 10 8.738 -3.833 -2.511 1.00 0.00 C ATOM 67 CG TYR A 10 8.764 -2.368 -2.895 1.00 0.00 C ATOM 68 CD1 TYR A 10 7.800 -1.487 -2.421 1.00 0.00 C ATOM 69 CD2 TYR A 10 9.757 -1.868 -3.730 1.00 0.00 C ATOM 70 CE1 TYR A 10 7.823 -0.148 -2.769 1.00 0.00 C ATOM 71 CE2 TYR A 10 9.786 -0.533 -4.083 1.00 0.00 C ATOM 72 CZ TYR A 10 8.820 0.323 -3.599 1.00 0.00 C ATOM 73 OH TYR A 10 8.845 1.654 -3.949 1.00 0.00 O ATOM 0 H TYR A 10 8.896 -6.286 -2.527 1.00 0.00 H new ATOM 0 HA TYR A 10 6.807 -4.527 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.390 -3.922 -1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.755 -4.223 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.020 -1.853 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.518 -2.534 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.066 0.524 -2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.562 -0.161 -4.735 1.00 0.00 H new ATOM 0 HH TYR A 10 9.610 1.823 -4.537 1.00 0.00 H new ATOM 81 N LEU A 11 9.125 -4.835 -5.464 1.00 0.00 N ATOM 82 CA LEU A 11 9.440 -4.561 -6.858 1.00 0.00 C ATOM 83 C LEU A 11 8.361 -5.123 -7.775 1.00 0.00 C ATOM 84 O LEU A 11 8.051 -4.541 -8.815 1.00 0.00 O ATOM 85 CB LEU A 11 10.802 -5.154 -7.222 1.00 0.00 C ATOM 86 CG LEU A 11 11.905 -4.127 -7.474 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.270 -4.722 -7.160 1.00 0.00 C ATOM 88 CD2 LEU A 11 11.854 -3.633 -8.913 1.00 0.00 C ATOM 0 H LEU A 11 9.793 -5.447 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 11 9.479 -3.480 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.120 -5.817 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.687 -5.769 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 11 11.742 -3.276 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.043 -3.976 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.302 -5.026 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.443 -5.590 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.646 -2.902 -9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.992 -4.475 -9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.887 -3.168 -9.104 1.00 0.00 H new ATOM 98 N SER A 12 7.784 -6.253 -7.375 1.00 0.00 N ATOM 99 CA SER A 12 6.730 -6.887 -8.156 1.00 0.00 C ATOM 100 C SER A 12 5.505 -5.984 -8.219 1.00 0.00 C ATOM 101 O SER A 12 4.855 -5.876 -9.259 1.00 0.00 O ATOM 102 CB SER A 12 6.354 -8.239 -7.547 1.00 0.00 C ATOM 103 OG SER A 12 7.507 -9.020 -7.293 1.00 0.00 O ATOM 0 H SER A 12 8.029 -6.746 -6.516 1.00 0.00 H new ATOM 0 HA SER A 12 7.100 -7.050 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.804 -8.083 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.690 -8.775 -8.225 1.00 0.00 H new ATOM 0 HG SER A 12 8.058 -8.578 -6.614 1.00 0.00 H new ATOM 107 N MET A 13 5.203 -5.331 -7.101 1.00 0.00 N ATOM 108 CA MET A 13 4.063 -4.426 -7.032 1.00 0.00 C ATOM 109 C MET A 13 4.336 -3.165 -7.845 1.00 0.00 C ATOM 110 O MET A 13 3.417 -2.542 -8.376 1.00 0.00 O ATOM 111 CB MET A 13 3.765 -4.048 -5.578 1.00 0.00 C ATOM 112 CG MET A 13 3.992 -5.182 -4.591 1.00 0.00 C ATOM 113 SD MET A 13 4.066 -4.610 -2.882 1.00 0.00 S ATOM 114 CE MET A 13 2.451 -3.852 -2.708 1.00 0.00 C ATOM 0 H MET A 13 5.731 -5.412 -6.232 1.00 0.00 H new ATOM 0 HA MET A 13 3.196 -4.938 -7.449 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.392 -3.202 -5.296 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.730 -3.716 -5.504 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.189 -5.912 -4.691 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.922 -5.694 -4.839 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.222 -3.723 -1.650 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.451 -2.880 -3.200 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.697 -4.492 -3.167 1.00 0.00 H new ATOM 120 N LYS A 14 5.613 -2.801 -7.939 1.00 0.00 N ATOM 121 CA LYS A 14 6.025 -1.617 -8.687 1.00 0.00 C ATOM 122 C LYS A 14 5.875 -1.842 -10.188 1.00 0.00 C ATOM 123 O LYS A 14 6.010 -0.909 -10.981 1.00 0.00 O ATOM 124 CB LYS A 14 7.477 -1.262 -8.360 1.00 0.00 C ATOM 125 CG LYS A 14 7.636 -0.434 -7.094 1.00 0.00 C ATOM 126 CD LYS A 14 8.468 0.813 -7.343 1.00 0.00 C ATOM 127 CE LYS A 14 9.941 0.478 -7.520 1.00 0.00 C ATOM 128 NZ LYS A 14 10.744 1.675 -7.892 1.00 0.00 N ATOM 0 H LYS A 14 6.382 -3.311 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 14 5.378 -0.790 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.052 -2.182 -8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.905 -0.712 -9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.653 -0.148 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.108 -1.039 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.101 1.324 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.349 1.503 -6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.330 0.054 -6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.049 -0.285 -8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.742 1.403 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.390 2.066 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.662 2.394 -7.145 1.00 0.00 H new ATOM 134 N ASP A 15 5.599 -3.085 -10.572 1.00 0.00 N ATOM 135 CA ASP A 15 5.435 -3.429 -11.981 1.00 0.00 C ATOM 136 C ASP A 15 4.191 -2.763 -12.565 1.00 0.00 C ATOM 137 O ASP A 15 3.574 -1.912 -11.926 1.00 0.00 O ATOM 138 CB ASP A 15 5.355 -4.948 -12.150 1.00 0.00 C ATOM 139 CG ASP A 15 5.791 -5.402 -13.530 1.00 0.00 C ATOM 140 OD1 ASP A 15 6.969 -5.179 -13.883 1.00 0.00 O ATOM 141 OD2 ASP A 15 4.957 -5.980 -14.257 1.00 0.00 O ATOM 0 H ASP A 15 5.484 -3.869 -9.929 1.00 0.00 H new ATOM 0 HA ASP A 15 6.304 -3.060 -12.525 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.982 -5.428 -11.398 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.332 -5.277 -11.969 1.00 0.00 H new ATOM 144 N THR A 16 3.835 -3.150 -13.785 1.00 0.00 N ATOM 145 CA THR A 16 2.674 -2.584 -14.460 1.00 0.00 C ATOM 146 C THR A 16 1.398 -3.359 -14.136 1.00 0.00 C ATOM 147 O THR A 16 0.653 -2.989 -13.227 1.00 0.00 O ATOM 148 CB THR A 16 2.873 -2.564 -15.987 1.00 0.00 C ATOM 149 OG1 THR A 16 3.660 -3.690 -16.393 1.00 0.00 O ATOM 150 CG2 THR A 16 3.555 -1.278 -16.430 1.00 0.00 C ATOM 0 H THR A 16 4.335 -3.855 -14.327 1.00 0.00 H new ATOM 0 HA THR A 16 2.569 -1.563 -14.094 1.00 0.00 H new ATOM 0 HB THR A 16 1.892 -2.616 -16.458 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.781 -3.671 -17.365 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.684 -1.289 -17.512 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.940 -0.424 -16.146 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.530 -1.199 -15.949 1.00 0.00 H new ATOM 158 N GLU A 17 1.148 -4.426 -14.888 1.00 0.00 N ATOM 159 CA GLU A 17 -0.042 -5.246 -14.686 1.00 0.00 C ATOM 160 C GLU A 17 0.213 -6.353 -13.669 1.00 0.00 C ATOM 161 O GLU A 17 -0.673 -6.707 -12.892 1.00 0.00 O ATOM 162 CB GLU A 17 -0.497 -5.852 -16.016 1.00 0.00 C ATOM 163 CG GLU A 17 -1.962 -5.597 -16.331 1.00 0.00 C ATOM 164 CD GLU A 17 -2.312 -5.907 -17.773 1.00 0.00 C ATOM 165 OE1 GLU A 17 -2.518 -7.097 -18.090 1.00 0.00 O ATOM 166 OE2 GLU A 17 -2.382 -4.960 -18.584 1.00 0.00 O ATOM 0 H GLU A 17 1.754 -4.744 -15.644 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.830 -4.602 -14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.115 -5.444 -16.820 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.320 -6.927 -15.995 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.582 -6.204 -15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.199 -4.554 -16.120 1.00 0.00 H new ATOM 169 N LYS A 18 1.427 -6.895 -13.682 1.00 0.00 N ATOM 170 CA LYS A 18 1.799 -7.964 -12.761 1.00 0.00 C ATOM 171 C LYS A 18 1.581 -7.534 -11.314 1.00 0.00 C ATOM 172 O LYS A 18 1.053 -8.294 -10.502 1.00 0.00 O ATOM 173 CB LYS A 18 3.259 -8.363 -12.972 1.00 0.00 C ATOM 174 CG LYS A 18 3.436 -9.805 -13.417 1.00 0.00 C ATOM 175 CD LYS A 18 3.865 -10.696 -12.261 1.00 0.00 C ATOM 176 CE LYS A 18 5.347 -11.020 -12.328 1.00 0.00 C ATOM 177 NZ LYS A 18 6.090 -10.470 -11.160 1.00 0.00 N ATOM 0 H LYS A 18 2.170 -6.611 -14.320 1.00 0.00 H new ATOM 0 HA LYS A 18 1.162 -8.825 -12.966 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.703 -7.704 -13.718 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.807 -8.208 -12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.500 -10.175 -13.835 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.181 -9.853 -14.211 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.642 -10.200 -11.316 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.288 -11.621 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.481 -12.101 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.766 -10.614 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.098 -10.713 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.984 -9.436 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.708 -10.877 -10.283 1.00 0.00 H new ATOM 183 N GLY A 19 1.993 -6.309 -10.999 1.00 0.00 N ATOM 184 CA GLY A 19 1.835 -5.795 -9.652 1.00 0.00 C ATOM 185 C GLY A 19 0.518 -5.073 -9.454 1.00 0.00 C ATOM 186 O GLY A 19 -0.465 -5.362 -10.134 1.00 0.00 O ATOM 0 H GLY A 19 2.434 -5.663 -11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.903 -6.619 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.656 -5.113 -9.429 1.00 0.00 H new ATOM 190 N ILE A 20 0.507 -4.121 -8.526 1.00 0.00 N ATOM 191 CA ILE A 20 -0.690 -3.340 -8.240 1.00 0.00 C ATOM 192 C ILE A 20 -1.055 -2.454 -9.428 1.00 0.00 C ATOM 193 O ILE A 20 -0.491 -2.594 -10.513 1.00 0.00 O ATOM 194 CB ILE A 20 -0.493 -2.457 -6.988 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.538 -1.362 -7.267 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.063 -3.298 -5.797 1.00 0.00 C ATOM 197 CD1 ILE A 20 0.074 0.017 -6.861 1.00 0.00 C ATOM 0 H ILE A 20 1.317 -3.872 -7.958 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.501 -4.044 -8.053 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.446 -1.987 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.460 -1.598 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.775 -1.359 -8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.070 -2.655 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.828 -4.044 -5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.878 -3.798 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.854 0.744 -7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.832 0.273 -7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.135 0.030 -5.791 1.00 0.00 H new ATOM 207 N LYS A 21 -1.988 -1.533 -9.215 1.00 0.00 N ATOM 208 CA LYS A 21 -2.415 -0.621 -10.247 1.00 0.00 C ATOM 209 C LYS A 21 -1.427 0.518 -10.374 1.00 0.00 C ATOM 210 O LYS A 21 -0.246 0.389 -10.055 1.00 0.00 O ATOM 211 CB LYS A 21 -3.811 -0.084 -9.918 1.00 0.00 C ATOM 212 CG LYS A 21 -4.800 -1.162 -9.513 1.00 0.00 C ATOM 213 CD LYS A 21 -5.302 -1.943 -10.717 1.00 0.00 C ATOM 214 CE LYS A 21 -6.729 -1.558 -11.074 1.00 0.00 C ATOM 215 NZ LYS A 21 -7.468 -2.685 -11.704 1.00 0.00 N ATOM 0 H LYS A 21 -2.463 -1.405 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.457 -1.150 -11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.730 0.644 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.201 0.446 -10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.326 -1.845 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.645 -0.706 -8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.650 -1.758 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.254 -3.011 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.254 -1.238 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.716 -0.707 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.436 -2.381 -11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.982 -2.974 -12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.504 -3.488 -11.045 1.00 0.00 H new ATOM 221 N GLU A 22 -1.941 1.622 -10.845 1.00 0.00 N ATOM 222 CA GLU A 22 -1.149 2.829 -11.041 1.00 0.00 C ATOM 223 C GLU A 22 -2.040 4.028 -11.364 1.00 0.00 C ATOM 224 O GLU A 22 -2.218 4.385 -12.529 1.00 0.00 O ATOM 225 CB GLU A 22 -0.123 2.619 -12.158 1.00 0.00 C ATOM 226 CG GLU A 22 -0.671 1.853 -13.352 1.00 0.00 C ATOM 227 CD GLU A 22 0.391 1.550 -14.390 1.00 0.00 C ATOM 228 OE1 GLU A 22 1.319 2.370 -14.548 1.00 0.00 O ATOM 229 OE2 GLU A 22 0.293 0.492 -15.048 1.00 0.00 O ATOM 0 H GLU A 22 -2.922 1.721 -11.107 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.622 3.038 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.239 3.590 -12.495 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.735 2.082 -11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.113 0.918 -13.007 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.470 2.432 -13.814 1.00 0.00 H new ATOM 232 N LEU A 23 -2.596 4.643 -10.324 1.00 0.00 N ATOM 233 CA LEU A 23 -3.468 5.803 -10.495 1.00 0.00 C ATOM 234 C LEU A 23 -2.890 7.029 -9.795 1.00 0.00 C ATOM 235 O LEU A 23 -2.664 7.015 -8.586 1.00 0.00 O ATOM 236 CB LEU A 23 -4.874 5.519 -9.941 1.00 0.00 C ATOM 237 CG LEU A 23 -5.487 4.159 -10.295 1.00 0.00 C ATOM 238 CD1 LEU A 23 -5.253 3.813 -11.757 1.00 0.00 C ATOM 239 CD2 LEU A 23 -4.934 3.070 -9.387 1.00 0.00 C ATOM 0 H LEU A 23 -2.459 4.358 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.538 6.003 -11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.836 5.604 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.546 6.299 -10.299 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.564 4.225 -10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.699 2.843 -11.977 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.710 4.575 -12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.182 3.773 -11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.381 2.112 -9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.852 3.011 -9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.172 3.305 -8.350 1.00 0.00 H new ATOM 249 N ASN A 24 -2.666 8.096 -10.561 1.00 0.00 N ATOM 250 CA ASN A 24 -2.129 9.333 -10.005 1.00 0.00 C ATOM 251 C ASN A 24 -3.173 9.996 -9.109 1.00 0.00 C ATOM 252 O ASN A 24 -4.367 9.953 -9.403 1.00 0.00 O ATOM 253 CB ASN A 24 -1.703 10.281 -11.133 1.00 0.00 C ATOM 254 CG ASN A 24 -2.524 11.557 -11.179 1.00 0.00 C ATOM 255 OD1 ASN A 24 -2.283 12.493 -10.417 1.00 0.00 O ATOM 256 ND2 ASN A 24 -3.501 11.599 -12.079 1.00 0.00 N ATOM 0 H ASN A 24 -2.848 8.127 -11.564 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.250 9.101 -9.403 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.651 10.537 -11.007 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.793 9.763 -12.088 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.086 12.431 -12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.666 10.800 -12.691 1.00 0.00 H new ATOM 261 N LEU A 25 -2.722 10.601 -8.013 1.00 0.00 N ATOM 262 CA LEU A 25 -3.636 11.257 -7.084 1.00 0.00 C ATOM 263 C LEU A 25 -3.162 12.669 -6.756 1.00 0.00 C ATOM 264 O LEU A 25 -1.964 12.915 -6.613 1.00 0.00 O ATOM 265 CB LEU A 25 -3.760 10.433 -5.800 1.00 0.00 C ATOM 266 CG LEU A 25 -5.172 10.325 -5.221 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.378 8.962 -4.571 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.421 11.441 -4.216 1.00 0.00 C ATOM 0 H LEU A 25 -1.738 10.650 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.614 11.328 -7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.389 9.427 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.108 10.871 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.889 10.429 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.387 8.902 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.240 8.179 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.654 8.829 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.430 11.350 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.698 11.367 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.314 12.406 -4.710 1.00 0.00 H new ATOM 278 N GLU A 26 -4.112 13.595 -6.643 1.00 0.00 N ATOM 279 CA GLU A 26 -3.797 14.985 -6.334 1.00 0.00 C ATOM 280 C GLU A 26 -4.619 15.476 -5.146 1.00 0.00 C ATOM 281 O GLU A 26 -5.848 15.420 -5.166 1.00 0.00 O ATOM 282 CB GLU A 26 -4.064 15.872 -7.554 1.00 0.00 C ATOM 283 CG GLU A 26 -3.975 17.362 -7.261 1.00 0.00 C ATOM 284 CD GLU A 26 -5.179 18.129 -7.773 1.00 0.00 C ATOM 285 OE1 GLU A 26 -6.318 17.685 -7.517 1.00 0.00 O ATOM 286 OE2 GLU A 26 -4.984 19.173 -8.430 1.00 0.00 O ATOM 0 H GLU A 26 -5.107 13.406 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.740 15.044 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.348 15.622 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.056 15.647 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.883 17.512 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.071 17.765 -7.717 1.00 0.00 H new ATOM 289 N LYS A 27 -3.934 15.962 -4.115 1.00 0.00 N ATOM 290 CA LYS A 27 -4.606 16.466 -2.922 1.00 0.00 C ATOM 291 C LYS A 27 -5.158 17.868 -3.166 1.00 0.00 C ATOM 292 O LYS A 27 -6.306 18.029 -3.581 1.00 0.00 O ATOM 293 CB LYS A 27 -3.646 16.477 -1.732 1.00 0.00 C ATOM 294 CG LYS A 27 -4.341 16.328 -0.389 1.00 0.00 C ATOM 295 CD LYS A 27 -4.818 17.670 0.142 1.00 0.00 C ATOM 296 CE LYS A 27 -4.428 17.864 1.599 1.00 0.00 C ATOM 297 NZ LYS A 27 -4.159 19.294 1.913 1.00 0.00 N ATOM 0 H LYS A 27 -2.916 16.017 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.439 15.801 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.925 15.668 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.083 17.410 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.191 15.653 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.657 15.874 0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.392 18.473 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.901 17.738 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.227 17.495 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.541 17.270 1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.735 19.368 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.502 19.687 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.051 19.828 1.890 1.00 0.00 H new ATOM 303 N ASP A 28 -4.333 18.879 -2.908 1.00 0.00 N ATOM 304 CA ASP A 28 -4.737 20.266 -3.103 1.00 0.00 C ATOM 305 C ASP A 28 -3.825 20.956 -4.112 1.00 0.00 C ATOM 306 O ASP A 28 -4.292 21.525 -5.098 1.00 0.00 O ATOM 307 CB ASP A 28 -4.708 21.021 -1.772 1.00 0.00 C ATOM 308 CG ASP A 28 -5.409 22.363 -1.852 1.00 0.00 C ATOM 309 OD1 ASP A 28 -6.290 22.523 -2.724 1.00 0.00 O ATOM 310 OD2 ASP A 28 -5.078 23.254 -1.043 1.00 0.00 O ATOM 0 H ASP A 28 -3.380 18.762 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.755 20.273 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.182 20.412 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.673 21.173 -1.466 1.00 0.00 H new ATOM 313 N LYS A 29 -2.521 20.900 -3.855 1.00 0.00 N ATOM 314 CA LYS A 29 -1.540 21.517 -4.740 1.00 0.00 C ATOM 315 C LYS A 29 -0.418 20.540 -5.086 1.00 0.00 C ATOM 316 O LYS A 29 0.441 20.836 -5.916 1.00 0.00 O ATOM 317 CB LYS A 29 -0.957 22.773 -4.089 1.00 0.00 C ATOM 318 CG LYS A 29 -0.318 23.733 -5.081 1.00 0.00 C ATOM 319 CD LYS A 29 -1.367 24.450 -5.916 1.00 0.00 C ATOM 320 CE LYS A 29 -1.787 25.763 -5.276 1.00 0.00 C ATOM 321 NZ LYS A 29 -0.715 26.792 -5.358 1.00 0.00 N ATOM 0 H LYS A 29 -2.120 20.434 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.048 21.794 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.749 23.294 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.211 22.477 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.284 24.466 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.358 23.184 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.971 24.641 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.239 23.807 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.685 26.135 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.045 25.591 -4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.128 27.736 -5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.003 26.611 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.264 26.749 -6.294 1.00 0.00 H new ATOM 327 N LYS A 30 -0.433 19.375 -4.444 1.00 0.00 N ATOM 328 CA LYS A 30 0.586 18.356 -4.687 1.00 0.00 C ATOM 329 C LYS A 30 0.018 17.198 -5.500 1.00 0.00 C ATOM 330 O LYS A 30 -1.137 16.807 -5.318 1.00 0.00 O ATOM 331 CB LYS A 30 1.151 17.831 -3.363 1.00 0.00 C ATOM 332 CG LYS A 30 0.902 18.751 -2.179 1.00 0.00 C ATOM 333 CD LYS A 30 -0.240 18.244 -1.316 1.00 0.00 C ATOM 334 CE LYS A 30 -0.137 18.762 0.109 1.00 0.00 C ATOM 335 NZ LYS A 30 -1.283 18.314 0.946 1.00 0.00 N ATOM 0 H LYS A 30 -1.137 19.113 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 30 1.390 18.821 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.710 16.857 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.225 17.678 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.808 18.827 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.672 19.754 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.190 18.556 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.235 17.154 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.795 18.416 0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.100 19.851 0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.618 19.107 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.055 17.986 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.978 17.535 1.564 1.00 0.00 H new ATOM 341 N ILE A 31 0.836 16.653 -6.396 1.00 0.00 N ATOM 342 CA ILE A 31 0.418 15.540 -7.239 1.00 0.00 C ATOM 343 C ILE A 31 1.255 14.294 -6.957 1.00 0.00 C ATOM 344 O ILE A 31 2.303 14.089 -7.567 1.00 0.00 O ATOM 345 CB ILE A 31 0.529 15.882 -8.741 1.00 0.00 C ATOM 346 CG1 ILE A 31 0.513 17.402 -8.959 1.00 0.00 C ATOM 347 CG2 ILE A 31 -0.593 15.211 -9.522 1.00 0.00 C ATOM 348 CD1 ILE A 31 -0.816 18.058 -8.644 1.00 0.00 C ATOM 0 H ILE A 31 1.794 16.966 -6.556 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.627 15.345 -6.998 1.00 0.00 H new ATOM 0 HB ILE A 31 1.481 15.501 -9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.286 17.855 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.773 17.612 -9.996 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.501 15.462 -10.579 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.527 14.130 -9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.556 15.560 -9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.744 19.131 -8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.591 17.634 -9.283 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.070 17.881 -7.599 1.00 0.00 H new ATOM 358 N PHE A 32 0.782 13.462 -6.031 1.00 0.00 N ATOM 359 CA PHE A 32 1.490 12.235 -5.676 1.00 0.00 C ATOM 360 C PHE A 32 1.432 11.230 -6.823 1.00 0.00 C ATOM 361 O PHE A 32 0.497 11.249 -7.630 1.00 0.00 O ATOM 362 CB PHE A 32 0.896 11.622 -4.405 1.00 0.00 C ATOM 363 CG PHE A 32 0.861 12.563 -3.235 1.00 0.00 C ATOM 364 CD1 PHE A 32 2.025 13.160 -2.774 1.00 0.00 C ATOM 365 CD2 PHE A 32 -0.333 12.848 -2.594 1.00 0.00 C ATOM 366 CE1 PHE A 32 1.995 14.023 -1.695 1.00 0.00 C ATOM 367 CE2 PHE A 32 -0.368 13.710 -1.515 1.00 0.00 C ATOM 368 CZ PHE A 32 0.797 14.299 -1.064 1.00 0.00 C ATOM 0 H PHE A 32 -0.085 13.615 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 32 2.534 12.486 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.118 11.283 -4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.477 10.741 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.964 12.948 -3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.248 12.391 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.908 14.482 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.306 13.923 -1.024 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.772 14.973 -0.221 1.00 0.00 H new ATOM 376 N ASN A 33 2.435 10.355 -6.899 1.00 0.00 N ATOM 377 CA ASN A 33 2.497 9.353 -7.959 1.00 0.00 C ATOM 378 C ASN A 33 2.248 7.943 -7.426 1.00 0.00 C ATOM 379 O ASN A 33 2.656 7.595 -6.310 1.00 0.00 O ATOM 380 CB ASN A 33 3.854 9.409 -8.660 1.00 0.00 C ATOM 381 CG ASN A 33 4.036 10.681 -9.463 1.00 0.00 C ATOM 382 OD1 ASN A 33 3.974 11.785 -8.922 1.00 0.00 O ATOM 383 ND2 ASN A 33 4.259 10.533 -10.764 1.00 0.00 N ATOM 0 H ASN A 33 3.213 10.321 -6.240 1.00 0.00 H new ATOM 0 HA ASN A 33 1.707 9.585 -8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.648 9.335 -7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.955 8.548 -9.320 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.387 11.354 -11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.303 9.599 -11.171 1.00 0.00 H new ATOM 388 N HIS A 34 1.578 7.135 -8.246 1.00 0.00 N ATOM 389 CA HIS A 34 1.262 5.759 -7.887 1.00 0.00 C ATOM 390 C HIS A 34 0.567 5.706 -6.533 1.00 0.00 C ATOM 391 O HIS A 34 1.007 5.003 -5.627 1.00 0.00 O ATOM 392 CB HIS A 34 2.537 4.912 -7.856 1.00 0.00 C ATOM 393 CG HIS A 34 3.422 5.118 -9.046 1.00 0.00 C ATOM 394 ND1 HIS A 34 4.588 5.851 -8.998 1.00 0.00 N ATOM 395 CD2 HIS A 34 3.308 4.678 -10.322 1.00 0.00 C ATOM 396 CE1 HIS A 34 5.153 5.855 -10.192 1.00 0.00 C ATOM 397 NE2 HIS A 34 4.397 5.151 -11.012 1.00 0.00 N ATOM 0 H HIS A 34 1.243 7.414 -9.168 1.00 0.00 H new ATOM 0 HA HIS A 34 0.587 5.354 -8.641 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.098 5.147 -6.951 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.262 3.859 -7.796 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.510 4.069 -10.722 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.077 6.350 -10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.590 4.985 -12.000 1.00 0.00 H new ATOM 404 N CYS A 35 -0.517 6.464 -6.403 1.00 0.00 N ATOM 405 CA CYS A 35 -1.271 6.515 -5.156 1.00 0.00 C ATOM 406 C CYS A 35 -2.489 5.610 -5.215 1.00 0.00 C ATOM 407 O CYS A 35 -3.257 5.641 -6.176 1.00 0.00 O ATOM 408 CB CYS A 35 -1.695 7.949 -4.862 1.00 0.00 C ATOM 409 SG CYS A 35 -0.764 9.182 -5.797 1.00 0.00 S ATOM 0 H CYS A 35 -0.893 7.052 -7.147 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.626 6.160 -4.353 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.756 8.059 -5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.573 8.144 -3.797 1.00 0.00 H new ATOM 0 HG CYS A 35 0.499 9.085 -5.506 1.00 0.00 H new ATOM 413 N PHE A 36 -2.654 4.792 -4.182 1.00 0.00 N ATOM 414 CA PHE A 36 -3.769 3.865 -4.118 1.00 0.00 C ATOM 415 C PHE A 36 -4.326 3.768 -2.699 1.00 0.00 C ATOM 416 O PHE A 36 -3.986 4.571 -1.833 1.00 0.00 O ATOM 417 CB PHE A 36 -3.328 2.481 -4.612 1.00 0.00 C ATOM 418 CG PHE A 36 -1.923 2.101 -4.211 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.823 2.704 -4.806 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.703 1.135 -3.244 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.461 2.350 -4.445 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.419 0.780 -2.879 1.00 0.00 C ATOM 423 CZ PHE A 36 0.664 1.388 -3.480 1.00 0.00 C ATOM 0 H PHE A 36 -2.027 4.755 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.562 4.240 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.019 1.732 -4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.404 2.454 -5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.974 3.461 -5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.545 0.653 -2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.306 2.827 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.263 0.026 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.668 1.111 -3.195 1.00 0.00 H new ATOM 431 N THR A 37 -5.182 2.775 -2.474 1.00 0.00 N ATOM 432 CA THR A 37 -5.784 2.567 -1.162 1.00 0.00 C ATOM 433 C THR A 37 -5.056 1.464 -0.399 1.00 0.00 C ATOM 434 O THR A 37 -4.197 0.778 -0.953 1.00 0.00 O ATOM 435 CB THR A 37 -7.276 2.200 -1.280 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.440 1.094 -2.176 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.089 3.387 -1.779 1.00 0.00 C ATOM 0 H THR A 37 -5.474 2.103 -3.183 1.00 0.00 H new ATOM 0 HA THR A 37 -5.694 3.506 -0.616 1.00 0.00 H new ATOM 0 HB THR A 37 -7.637 1.922 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.391 0.866 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.139 3.103 -1.854 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.987 4.218 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.724 3.691 -2.760 1.00 0.00 H new ATOM 445 N GLY A 38 -5.404 1.304 0.876 1.00 0.00 N ATOM 446 CA GLY A 38 -4.772 0.285 1.696 1.00 0.00 C ATOM 447 C GLY A 38 -5.291 -1.110 1.406 1.00 0.00 C ATOM 448 O GLY A 38 -4.509 -2.046 1.237 1.00 0.00 O ATOM 0 H GLY A 38 -6.111 1.861 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.695 0.308 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.938 0.518 2.748 1.00 0.00 H new ATOM 452 N ASN A 39 -6.613 -1.249 1.348 1.00 0.00 N ATOM 453 CA ASN A 39 -7.239 -2.541 1.080 1.00 0.00 C ATOM 454 C ASN A 39 -6.858 -3.060 -0.303 1.00 0.00 C ATOM 455 O ASN A 39 -7.050 -4.237 -0.610 1.00 0.00 O ATOM 456 CB ASN A 39 -8.760 -2.426 1.190 1.00 0.00 C ATOM 457 CG ASN A 39 -9.439 -3.780 1.284 1.00 0.00 C ATOM 458 OD1 ASN A 39 -8.817 -4.774 1.660 1.00 0.00 O ATOM 459 ND2 ASN A 39 -10.722 -3.825 0.943 1.00 0.00 N ATOM 0 H ASN A 39 -7.272 -0.482 1.483 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.877 -3.250 1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.014 -1.834 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.144 -1.890 0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.231 -4.708 0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.198 -2.977 0.637 1.00 0.00 H new ATOM 464 N CYS A 40 -6.316 -2.175 -1.135 1.00 0.00 N ATOM 465 CA CYS A 40 -5.908 -2.543 -2.486 1.00 0.00 C ATOM 466 C CYS A 40 -4.762 -3.552 -2.456 1.00 0.00 C ATOM 467 O CYS A 40 -4.821 -4.590 -3.114 1.00 0.00 O ATOM 468 CB CYS A 40 -5.491 -1.297 -3.269 1.00 0.00 C ATOM 469 SG CYS A 40 -4.850 -1.645 -4.923 1.00 0.00 S ATOM 0 H CYS A 40 -6.149 -1.197 -0.896 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.759 -3.008 -2.983 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.350 -0.632 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.730 -0.762 -2.701 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.526 -0.529 -5.507 1.00 0.00 H new ATOM 473 N VAL A 41 -3.721 -3.238 -1.688 1.00 0.00 N ATOM 474 CA VAL A 41 -2.560 -4.114 -1.574 1.00 0.00 C ATOM 475 C VAL A 41 -2.927 -5.446 -0.925 1.00 0.00 C ATOM 476 O VAL A 41 -2.421 -6.495 -1.319 1.00 0.00 O ATOM 477 CB VAL A 41 -1.432 -3.452 -0.760 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.257 -4.402 -0.586 1.00 0.00 C ATOM 479 CG2 VAL A 41 -0.985 -2.165 -1.429 1.00 0.00 C ATOM 0 H VAL A 41 -3.659 -2.383 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.207 -4.297 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.820 -3.213 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.526 -3.911 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.588 -5.298 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.135 -4.679 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.188 -1.708 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.618 -2.385 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.828 -1.477 -1.494 1.00 0.00 H new ATOM 489 N ILE A 42 -3.804 -5.399 0.074 1.00 0.00 N ATOM 490 CA ILE A 42 -4.226 -6.610 0.771 1.00 0.00 C ATOM 491 C ILE A 42 -4.944 -7.565 -0.179 1.00 0.00 C ATOM 492 O ILE A 42 -4.822 -8.784 -0.057 1.00 0.00 O ATOM 493 CB ILE A 42 -5.156 -6.293 1.959 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.669 -5.050 2.712 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.240 -7.486 2.897 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.356 -5.247 3.444 1.00 0.00 C ATOM 0 H ILE A 42 -4.234 -4.540 0.418 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.320 -7.083 1.151 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.153 -6.086 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.559 -4.229 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.432 -4.751 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.900 -7.247 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.634 -8.347 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.246 -7.721 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.080 -4.323 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.465 -6.045 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.578 -5.515 2.729 1.00 0.00 H new ATOM 506 N ASP A 43 -5.693 -7.002 -1.123 1.00 0.00 N ATOM 507 CA ASP A 43 -6.431 -7.804 -2.093 1.00 0.00 C ATOM 508 C ASP A 43 -5.498 -8.366 -3.161 1.00 0.00 C ATOM 509 O ASP A 43 -5.666 -9.500 -3.610 1.00 0.00 O ATOM 510 CB ASP A 43 -7.531 -6.966 -2.747 1.00 0.00 C ATOM 511 CG ASP A 43 -8.914 -7.332 -2.243 1.00 0.00 C ATOM 512 OD1 ASP A 43 -9.066 -7.536 -1.020 1.00 0.00 O ATOM 513 OD2 ASP A 43 -9.844 -7.416 -3.071 1.00 0.00 O ATOM 0 H ASP A 43 -5.805 -5.995 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.888 -8.640 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.344 -5.910 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.493 -7.102 -3.828 1.00 0.00 H new ATOM 516 N TRP A 44 -4.513 -7.568 -3.561 1.00 0.00 N ATOM 517 CA TRP A 44 -3.551 -7.990 -4.576 1.00 0.00 C ATOM 518 C TRP A 44 -2.678 -9.123 -4.045 1.00 0.00 C ATOM 519 O TRP A 44 -2.480 -10.136 -4.717 1.00 0.00 O ATOM 520 CB TRP A 44 -2.680 -6.808 -5.008 1.00 0.00 C ATOM 521 CG TRP A 44 -1.643 -7.169 -6.026 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.811 -7.244 -7.379 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.275 -7.505 -5.772 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.631 -7.605 -7.981 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.327 -7.770 -7.015 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.500 -7.605 -4.614 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.668 -8.128 -7.131 1.00 0.00 C ATOM 528 CZ3 TRP A 44 1.831 -7.961 -4.730 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.402 -8.218 -5.981 1.00 0.00 C ATOM 0 H TRP A 44 -4.359 -6.627 -3.199 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.102 -8.353 -5.444 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.320 -6.025 -5.415 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.186 -6.391 -4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.737 -7.048 -7.900 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.490 -7.730 -8.983 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.067 -7.408 -3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.112 -8.327 -8.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.439 -8.042 -3.841 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.445 -8.493 -6.040 1.00 0.00 H new ATOM 538 N LEU A 45 -2.168 -8.945 -2.830 1.00 0.00 N ATOM 539 CA LEU A 45 -1.325 -9.951 -2.195 1.00 0.00 C ATOM 540 C LEU A 45 -2.103 -11.248 -2.009 1.00 0.00 C ATOM 541 O LEU A 45 -1.592 -12.338 -2.270 1.00 0.00 O ATOM 542 CB LEU A 45 -0.829 -9.445 -0.837 1.00 0.00 C ATOM 543 CG LEU A 45 0.656 -9.078 -0.777 1.00 0.00 C ATOM 544 CD1 LEU A 45 0.877 -7.664 -1.286 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.179 -9.220 0.645 1.00 0.00 C ATOM 0 H LEU A 45 -2.325 -8.111 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.466 -10.141 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.414 -8.569 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.027 -10.212 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 45 1.208 -9.764 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.938 -7.421 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.537 -7.592 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.315 -6.963 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.236 -8.956 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.622 -8.556 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.054 -10.251 0.977 1.00 0.00 H new ATOM 555 N VAL A 46 -3.345 -11.114 -1.554 1.00 0.00 N ATOM 556 CA VAL A 46 -4.217 -12.260 -1.325 1.00 0.00 C ATOM 557 C VAL A 46 -4.564 -12.955 -2.641 1.00 0.00 C ATOM 558 O VAL A 46 -4.700 -14.179 -2.689 1.00 0.00 O ATOM 559 CB VAL A 46 -5.509 -11.822 -0.594 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.645 -12.810 -0.818 1.00 0.00 C ATOM 561 CG2 VAL A 46 -5.242 -11.650 0.894 1.00 0.00 C ATOM 0 H VAL A 46 -3.773 -10.214 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.681 -12.969 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.818 -10.864 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.534 -12.468 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.861 -12.880 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.354 -13.791 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.160 -11.342 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.899 -12.596 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.475 -10.889 1.041 1.00 0.00 H new ATOM 571 N SER A 47 -4.700 -12.171 -3.705 1.00 0.00 N ATOM 572 CA SER A 47 -5.025 -12.714 -5.018 1.00 0.00 C ATOM 573 C SER A 47 -3.829 -13.453 -5.611 1.00 0.00 C ATOM 574 O SER A 47 -3.983 -14.298 -6.493 1.00 0.00 O ATOM 575 CB SER A 47 -5.472 -11.596 -5.962 1.00 0.00 C ATOM 576 OG SER A 47 -5.245 -11.948 -7.315 1.00 0.00 O ATOM 0 H SER A 47 -4.590 -11.157 -3.683 1.00 0.00 H new ATOM 0 HA SER A 47 -5.844 -13.423 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.531 -11.390 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.932 -10.679 -5.726 1.00 0.00 H new ATOM 0 HG SER A 47 -5.541 -11.217 -7.897 1.00 0.00 H new ATOM 580 N ASN A 48 -2.638 -13.126 -5.119 1.00 0.00 N ATOM 581 CA ASN A 48 -1.411 -13.757 -5.595 1.00 0.00 C ATOM 582 C ASN A 48 -1.036 -14.945 -4.712 1.00 0.00 C ATOM 583 O ASN A 48 -1.831 -15.391 -3.887 1.00 0.00 O ATOM 584 CB ASN A 48 -0.268 -12.739 -5.623 1.00 0.00 C ATOM 585 CG ASN A 48 0.205 -12.436 -7.031 1.00 0.00 C ATOM 586 OD1 ASN A 48 1.404 -12.429 -7.306 1.00 0.00 O ATOM 587 ND2 ASN A 48 -0.739 -12.185 -7.932 1.00 0.00 N ATOM 0 H ASN A 48 -2.496 -12.427 -4.390 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.584 -14.122 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.597 -11.815 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.568 -13.120 -5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.481 -11.976 -8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.722 -12.202 -7.659 1.00 0.00 H new ATOM 592 N GLN A 49 0.180 -15.456 -4.894 1.00 0.00 N ATOM 593 CA GLN A 49 0.656 -16.595 -4.116 1.00 0.00 C ATOM 594 C GLN A 49 1.292 -16.141 -2.805 1.00 0.00 C ATOM 595 O GLN A 49 1.672 -16.965 -1.973 1.00 0.00 O ATOM 596 CB GLN A 49 1.664 -17.410 -4.927 1.00 0.00 C ATOM 597 CG GLN A 49 1.136 -18.767 -5.365 1.00 0.00 C ATOM 598 CD GLN A 49 -0.041 -18.656 -6.313 1.00 0.00 C ATOM 599 OE1 GLN A 49 0.090 -18.153 -7.429 1.00 0.00 O ATOM 600 NE2 GLN A 49 -1.203 -19.128 -5.873 1.00 0.00 N ATOM 0 H GLN A 49 0.852 -15.099 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.205 -17.221 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.954 -16.840 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.565 -17.555 -4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.937 -19.325 -5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.837 -19.337 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.267 -19.537 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.030 -19.081 -6.468 1.00 0.00 H new ATOM 605 N SER A 50 1.403 -14.828 -2.627 1.00 0.00 N ATOM 606 CA SER A 50 1.993 -14.269 -1.414 1.00 0.00 C ATOM 607 C SER A 50 1.201 -14.693 -0.181 1.00 0.00 C ATOM 608 O SER A 50 1.704 -15.425 0.672 1.00 0.00 O ATOM 609 CB SER A 50 2.045 -12.743 -1.503 1.00 0.00 C ATOM 610 OG SER A 50 1.227 -12.264 -2.556 1.00 0.00 O ATOM 0 H SER A 50 1.093 -14.132 -3.305 1.00 0.00 H new ATOM 0 HA SER A 50 3.009 -14.654 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.717 -12.309 -0.558 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.074 -12.420 -1.662 1.00 0.00 H new ATOM 0 HG SER A 50 0.284 -12.373 -2.313 1.00 0.00 H new ATOM 614 N VAL A 51 -0.044 -14.232 -0.098 1.00 0.00 N ATOM 615 CA VAL A 51 -0.912 -14.566 1.025 1.00 0.00 C ATOM 616 C VAL A 51 -2.242 -15.128 0.538 1.00 0.00 C ATOM 617 O VAL A 51 -2.520 -15.141 -0.662 1.00 0.00 O ATOM 618 CB VAL A 51 -1.190 -13.336 1.912 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.078 -12.882 2.619 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.779 -12.205 1.086 1.00 0.00 C ATOM 0 H VAL A 51 -0.474 -13.625 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.388 -15.319 1.614 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.918 -13.621 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.142 -12.013 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.454 -13.690 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.833 -12.617 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.969 -11.345 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.077 -11.923 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.715 -12.534 0.634 1.00 0.00 H new ATOM 630 N ARG A 52 -3.061 -15.583 1.476 1.00 0.00 N ATOM 631 CA ARG A 52 -4.368 -16.136 1.150 1.00 0.00 C ATOM 632 C ARG A 52 -5.464 -15.373 1.881 1.00 0.00 C ATOM 633 O ARG A 52 -6.397 -14.863 1.264 1.00 0.00 O ATOM 634 CB ARG A 52 -4.429 -17.620 1.518 1.00 0.00 C ATOM 635 CG ARG A 52 -4.836 -18.518 0.362 1.00 0.00 C ATOM 636 CD ARG A 52 -6.277 -18.985 0.497 1.00 0.00 C ATOM 637 NE ARG A 52 -6.402 -20.123 1.403 1.00 0.00 N ATOM 638 CZ ARG A 52 -5.981 -21.350 1.111 1.00 0.00 C ATOM 639 NH1 ARG A 52 -5.416 -21.601 -0.064 1.00 0.00 N ATOM 640 NH2 ARG A 52 -6.126 -22.330 1.994 1.00 0.00 N ATOM 0 H ARG A 52 -2.842 -15.580 2.472 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.525 -16.035 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.452 -17.935 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.136 -17.754 2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.714 -17.980 -0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.175 -19.383 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.892 -18.162 0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.662 -19.260 -0.485 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.837 -19.968 2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.304 -20.851 -0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.094 -22.544 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.561 -22.142 2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.803 -23.271 1.769 1.00 0.00 H new ATOM 648 N ASN A 53 -5.338 -15.294 3.200 1.00 0.00 N ATOM 649 CA ASN A 53 -6.311 -14.584 4.020 1.00 0.00 C ATOM 650 C ASN A 53 -6.025 -13.087 4.026 1.00 0.00 C ATOM 651 O ASN A 53 -4.893 -12.661 3.792 1.00 0.00 O ATOM 652 CB ASN A 53 -6.297 -15.124 5.449 1.00 0.00 C ATOM 653 CG ASN A 53 -7.013 -16.456 5.575 1.00 0.00 C ATOM 654 OD1 ASN A 53 -8.133 -16.619 5.091 1.00 0.00 O ATOM 655 ND2 ASN A 53 -6.368 -17.415 6.228 1.00 0.00 N ATOM 0 H ASN A 53 -4.571 -15.713 3.725 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.299 -14.746 3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.265 -15.237 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.767 -14.398 6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.800 -18.332 6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.441 -17.235 6.613 1.00 0.00 H new ATOM 660 N ARG A 54 -7.053 -12.291 4.306 1.00 0.00 N ATOM 661 CA ARG A 54 -6.905 -10.841 4.353 1.00 0.00 C ATOM 662 C ARG A 54 -5.963 -10.440 5.483 1.00 0.00 C ATOM 663 O ARG A 54 -5.193 -9.485 5.359 1.00 0.00 O ATOM 664 CB ARG A 54 -8.269 -10.172 4.548 1.00 0.00 C ATOM 665 CG ARG A 54 -8.352 -8.769 3.968 1.00 0.00 C ATOM 666 CD ARG A 54 -9.794 -8.314 3.817 1.00 0.00 C ATOM 667 NE ARG A 54 -10.064 -7.775 2.486 1.00 0.00 N ATOM 668 CZ ARG A 54 -11.285 -7.512 2.028 1.00 0.00 C ATOM 669 NH1 ARG A 54 -12.347 -7.749 2.788 1.00 0.00 N ATOM 670 NH2 ARG A 54 -11.446 -7.016 0.810 1.00 0.00 N ATOM 0 H ARG A 54 -7.996 -12.626 4.503 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.481 -10.507 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.037 -10.792 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.493 -10.128 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.816 -8.074 4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.858 -8.746 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.461 -9.154 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.014 -7.554 4.567 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.270 -7.590 1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.228 -8.134 3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.282 -7.547 2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.633 -6.835 0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.383 -6.815 0.461 1.00 0.00 H new ATOM 678 N GLN A 55 -6.031 -11.178 6.586 1.00 0.00 N ATOM 679 CA GLN A 55 -5.188 -10.910 7.744 1.00 0.00 C ATOM 680 C GLN A 55 -3.720 -11.160 7.420 1.00 0.00 C ATOM 681 O GLN A 55 -2.845 -10.402 7.842 1.00 0.00 O ATOM 682 CB GLN A 55 -5.622 -11.778 8.922 1.00 0.00 C ATOM 683 CG GLN A 55 -6.530 -11.059 9.906 1.00 0.00 C ATOM 684 CD GLN A 55 -7.953 -10.929 9.395 1.00 0.00 C ATOM 685 OE1 GLN A 55 -8.577 -11.916 9.010 1.00 0.00 O ATOM 686 NE2 GLN A 55 -8.470 -9.707 9.391 1.00 0.00 N ATOM 0 H GLN A 55 -6.664 -11.969 6.702 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.303 -9.860 8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.138 -12.660 8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.735 -12.130 9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.535 -11.600 10.852 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.128 -10.066 10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.915 -8.917 9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.423 -9.557 9.059 1.00 0.00 H new ATOM 691 N GLU A 56 -3.456 -12.223 6.664 1.00 0.00 N ATOM 692 CA GLU A 56 -2.091 -12.568 6.278 1.00 0.00 C ATOM 693 C GLU A 56 -1.482 -11.459 5.426 1.00 0.00 C ATOM 694 O GLU A 56 -0.322 -11.085 5.606 1.00 0.00 O ATOM 695 CB GLU A 56 -2.071 -13.890 5.511 1.00 0.00 C ATOM 696 CG GLU A 56 -1.390 -15.021 6.265 1.00 0.00 C ATOM 697 CD GLU A 56 -0.995 -16.172 5.361 1.00 0.00 C ATOM 698 OE1 GLU A 56 -0.247 -15.936 4.391 1.00 0.00 O ATOM 699 OE2 GLU A 56 -1.437 -17.312 5.624 1.00 0.00 O ATOM 0 H GLU A 56 -4.169 -12.859 6.307 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.496 -12.680 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.096 -14.183 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.561 -13.740 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.501 -14.636 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.059 -15.388 7.043 1.00 0.00 H new ATOM 702 N GLY A 57 -2.276 -10.931 4.501 1.00 0.00 N ATOM 703 CA GLY A 57 -1.804 -9.865 3.640 1.00 0.00 C ATOM 704 C GLY A 57 -1.727 -8.541 4.369 1.00 0.00 C ATOM 705 O GLY A 57 -1.054 -7.613 3.917 1.00 0.00 O ATOM 0 H GLY A 57 -3.239 -11.223 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.819 -10.122 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.471 -9.769 2.783 1.00 0.00 H new ATOM 709 N LEU A 58 -2.415 -8.456 5.505 1.00 0.00 N ATOM 710 CA LEU A 58 -2.423 -7.239 6.307 1.00 0.00 C ATOM 711 C LEU A 58 -1.103 -7.075 7.054 1.00 0.00 C ATOM 712 O LEU A 58 -0.539 -5.981 7.102 1.00 0.00 O ATOM 713 CB LEU A 58 -3.587 -7.266 7.301 1.00 0.00 C ATOM 714 CG LEU A 58 -4.209 -5.902 7.609 1.00 0.00 C ATOM 715 CD1 LEU A 58 -5.639 -6.066 8.098 1.00 0.00 C ATOM 716 CD2 LEU A 58 -3.374 -5.156 8.639 1.00 0.00 C ATOM 0 H LEU A 58 -2.974 -9.217 5.890 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.549 -6.389 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.364 -7.922 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.237 -7.708 8.234 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.226 -5.316 6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.065 -5.086 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.232 -6.559 7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.646 -6.671 9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.831 -4.188 8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.325 -5.739 9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.367 -5.006 8.251 1.00 0.00 H new ATOM 726 N MET A 59 -0.613 -8.167 7.636 1.00 0.00 N ATOM 727 CA MET A 59 0.642 -8.137 8.379 1.00 0.00 C ATOM 728 C MET A 59 1.828 -7.958 7.435 1.00 0.00 C ATOM 729 O MET A 59 2.749 -7.190 7.720 1.00 0.00 O ATOM 730 CB MET A 59 0.809 -9.412 9.205 1.00 0.00 C ATOM 731 CG MET A 59 0.645 -10.681 8.395 1.00 0.00 C ATOM 732 SD MET A 59 1.723 -12.015 8.956 1.00 0.00 S ATOM 733 CE MET A 59 3.338 -11.276 8.716 1.00 0.00 C ATOM 0 H MET A 59 -1.065 -9.081 7.607 1.00 0.00 H new ATOM 0 HA MET A 59 0.612 -7.285 9.058 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.796 -9.410 9.667 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.079 -9.410 10.014 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.392 -11.011 8.451 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.855 -10.467 7.347 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.991 -11.986 8.209 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.240 -10.376 8.109 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.767 -11.016 9.684 1.00 0.00 H new ATOM 739 N ILE A 60 1.799 -8.659 6.303 1.00 0.00 N ATOM 740 CA ILE A 60 2.872 -8.557 5.319 1.00 0.00 C ATOM 741 C ILE A 60 2.967 -7.129 4.788 1.00 0.00 C ATOM 742 O ILE A 60 4.044 -6.528 4.777 1.00 0.00 O ATOM 743 CB ILE A 60 2.658 -9.530 4.140 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.679 -10.982 4.634 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.717 -9.312 3.066 1.00 0.00 C ATOM 746 CD1 ILE A 60 4.007 -11.408 5.227 1.00 0.00 C ATOM 0 H ILE A 60 1.048 -9.300 6.046 1.00 0.00 H new ATOM 0 HA ILE A 60 3.802 -8.826 5.820 1.00 0.00 H new ATOM 0 HB ILE A 60 1.681 -9.330 3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.899 -11.112 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.435 -11.642 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.549 -10.007 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.654 -8.289 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.706 -9.484 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.943 -12.446 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.789 -11.312 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.245 -10.773 6.080 1.00 0.00 H new ATOM 756 N ALA A 61 1.828 -6.588 4.362 1.00 0.00 N ATOM 757 CA ALA A 61 1.781 -5.227 3.847 1.00 0.00 C ATOM 758 C ALA A 61 2.264 -4.248 4.908 1.00 0.00 C ATOM 759 O ALA A 61 2.842 -3.205 4.595 1.00 0.00 O ATOM 760 CB ALA A 61 0.370 -4.876 3.398 1.00 0.00 C ATOM 0 H ALA A 61 0.930 -7.071 4.364 1.00 0.00 H new ATOM 0 HA ALA A 61 2.442 -5.157 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.353 -3.855 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.057 -5.563 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.312 -4.958 4.244 1.00 0.00 H new ATOM 766 N SER A 62 2.038 -4.603 6.171 1.00 0.00 N ATOM 767 CA SER A 62 2.463 -3.771 7.287 1.00 0.00 C ATOM 768 C SER A 62 3.980 -3.651 7.292 1.00 0.00 C ATOM 769 O SER A 62 4.527 -2.576 7.538 1.00 0.00 O ATOM 770 CB SER A 62 1.978 -4.358 8.613 1.00 0.00 C ATOM 771 OG SER A 62 2.654 -3.767 9.710 1.00 0.00 O ATOM 0 H SER A 62 1.562 -5.463 6.444 1.00 0.00 H new ATOM 0 HA SER A 62 2.025 -2.780 7.170 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.905 -4.198 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.142 -5.436 8.619 1.00 0.00 H new ATOM 0 HG SER A 62 2.325 -4.158 10.546 1.00 0.00 H new ATOM 775 N SER A 63 4.653 -4.762 7.002 1.00 0.00 N ATOM 776 CA SER A 63 6.109 -4.783 6.954 1.00 0.00 C ATOM 777 C SER A 63 6.606 -3.895 5.822 1.00 0.00 C ATOM 778 O SER A 63 7.658 -3.263 5.926 1.00 0.00 O ATOM 779 CB SER A 63 6.617 -6.214 6.762 1.00 0.00 C ATOM 780 OG SER A 63 7.595 -6.545 7.732 1.00 0.00 O ATOM 0 H SER A 63 4.211 -5.658 6.797 1.00 0.00 H new ATOM 0 HA SER A 63 6.495 -4.402 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.782 -6.911 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.041 -6.321 5.763 1.00 0.00 H new ATOM 0 HG SER A 63 7.901 -7.465 7.587 1.00 0.00 H new ATOM 784 N LEU A 64 5.830 -3.846 4.742 1.00 0.00 N ATOM 785 CA LEU A 64 6.171 -3.029 3.583 1.00 0.00 C ATOM 786 C LEU A 64 6.340 -1.566 3.985 1.00 0.00 C ATOM 787 O LEU A 64 7.411 -0.983 3.816 1.00 0.00 O ATOM 788 CB LEU A 64 5.080 -3.143 2.518 1.00 0.00 C ATOM 789 CG LEU A 64 5.457 -3.952 1.278 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.273 -4.781 0.806 1.00 0.00 C ATOM 791 CD2 LEU A 64 5.941 -3.031 0.171 1.00 0.00 C ATOM 0 H LEU A 64 4.957 -4.365 4.647 1.00 0.00 H new ATOM 0 HA LEU A 64 7.114 -3.394 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.198 -3.596 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.797 -2.139 2.203 1.00 0.00 H new ATOM 0 HG LEU A 64 6.269 -4.630 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.558 -5.352 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.970 -5.466 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.442 -4.121 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.206 -3.623 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.149 -2.329 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.816 -2.479 0.514 1.00 0.00 H new ATOM 801 N LEU A 65 5.269 -0.982 4.515 1.00 0.00 N ATOM 802 CA LEU A 65 5.284 0.415 4.942 1.00 0.00 C ATOM 803 C LEU A 65 6.214 0.615 6.136 1.00 0.00 C ATOM 804 O LEU A 65 6.826 1.673 6.285 1.00 0.00 O ATOM 805 CB LEU A 65 3.867 0.874 5.299 1.00 0.00 C ATOM 806 CG LEU A 65 3.745 2.336 5.737 1.00 0.00 C ATOM 807 CD1 LEU A 65 4.058 3.271 4.580 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.354 2.614 6.283 1.00 0.00 C ATOM 0 H LEU A 65 4.377 -1.456 4.660 1.00 0.00 H new ATOM 0 HA LEU A 65 5.658 1.017 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.223 0.716 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.488 0.239 6.100 1.00 0.00 H new ATOM 0 HG LEU A 65 4.471 2.517 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.966 4.305 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.075 3.091 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.358 3.088 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.285 3.658 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.613 2.413 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.165 1.970 7.142 1.00 0.00 H new ATOM 818 N ASN A 66 6.316 -0.406 6.983 1.00 0.00 N ATOM 819 CA ASN A 66 7.175 -0.336 8.163 1.00 0.00 C ATOM 820 C ASN A 66 8.633 -0.158 7.757 1.00 0.00 C ATOM 821 O ASN A 66 9.407 0.495 8.459 1.00 0.00 O ATOM 822 CB ASN A 66 7.019 -1.599 9.011 1.00 0.00 C ATOM 823 CG ASN A 66 7.267 -1.340 10.485 1.00 0.00 C ATOM 824 OD1 ASN A 66 8.314 -0.817 10.868 1.00 0.00 O ATOM 825 ND2 ASN A 66 6.300 -1.702 11.320 1.00 0.00 N ATOM 0 H ASN A 66 5.817 -1.289 6.875 1.00 0.00 H new ATOM 0 HA ASN A 66 6.871 0.527 8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.014 -2.000 8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.715 -2.360 8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.408 -1.550 12.323 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.449 -2.132 10.959 1.00 0.00 H new ATOM 830 N GLU A 67 8.999 -0.739 6.620 1.00 0.00 N ATOM 831 CA GLU A 67 10.364 -0.642 6.117 1.00 0.00 C ATOM 832 C GLU A 67 10.569 0.674 5.377 1.00 0.00 C ATOM 833 O GLU A 67 11.702 1.102 5.154 1.00 0.00 O ATOM 834 CB GLU A 67 10.674 -1.819 5.191 1.00 0.00 C ATOM 835 CG GLU A 67 11.070 -3.088 5.930 1.00 0.00 C ATOM 836 CD GLU A 67 12.432 -2.978 6.589 1.00 0.00 C ATOM 837 OE1 GLU A 67 13.448 -3.154 5.884 1.00 0.00 O ATOM 838 OE2 GLU A 67 12.481 -2.716 7.809 1.00 0.00 O ATOM 0 H GLU A 67 8.369 -1.282 6.029 1.00 0.00 H new ATOM 0 HA GLU A 67 11.046 -0.673 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.799 -2.026 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.481 -1.536 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.320 -3.311 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.075 -3.925 5.231 1.00 0.00 H new ATOM 841 N GLY A 68 9.464 1.310 4.997 1.00 0.00 N ATOM 842 CA GLY A 68 9.542 2.573 4.286 1.00 0.00 C ATOM 843 C GLY A 68 9.289 2.415 2.799 1.00 0.00 C ATOM 844 O GLY A 68 9.529 3.336 2.021 1.00 0.00 O ATOM 0 H GLY A 68 8.517 0.973 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.814 3.268 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.527 3.013 4.440 1.00 0.00 H new ATOM 848 N TYR A 69 8.800 1.243 2.409 1.00 0.00 N ATOM 849 CA TYR A 69 8.511 0.961 1.009 1.00 0.00 C ATOM 850 C TYR A 69 7.349 1.817 0.512 1.00 0.00 C ATOM 851 O TYR A 69 7.454 2.490 -0.514 1.00 0.00 O ATOM 852 CB TYR A 69 8.181 -0.521 0.826 1.00 0.00 C ATOM 853 CG TYR A 69 9.390 -1.430 0.893 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.502 -1.203 0.089 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.418 -2.515 1.759 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.605 -2.033 0.148 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.518 -3.350 1.824 1.00 0.00 C ATOM 858 CZ TYR A 69 11.608 -3.104 1.017 1.00 0.00 C ATOM 859 OH TYR A 69 12.705 -3.933 1.078 1.00 0.00 O ATOM 0 H TYR A 69 8.595 0.472 3.045 1.00 0.00 H new ATOM 0 HA TYR A 69 9.397 1.205 0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.469 -0.822 1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.688 -0.658 -0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.503 -0.365 -0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.566 -2.710 2.393 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.461 -1.844 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.523 -4.190 2.503 1.00 0.00 H new ATOM 0 HH TYR A 69 12.546 -4.637 1.741 1.00 0.00 H new ATOM 867 N LEU A 70 6.242 1.783 1.247 1.00 0.00 N ATOM 868 CA LEU A 70 5.057 2.555 0.888 1.00 0.00 C ATOM 869 C LEU A 70 5.098 3.934 1.538 1.00 0.00 C ATOM 870 O LEU A 70 5.972 4.217 2.357 1.00 0.00 O ATOM 871 CB LEU A 70 3.789 1.813 1.328 1.00 0.00 C ATOM 872 CG LEU A 70 3.021 1.094 0.215 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.334 2.102 -0.688 1.00 0.00 C ATOM 874 CD2 LEU A 70 3.947 0.193 -0.592 1.00 0.00 C ATOM 0 H LEU A 70 6.141 1.228 2.097 1.00 0.00 H new ATOM 0 HA LEU A 70 5.043 2.678 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.064 1.080 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.118 2.528 1.804 1.00 0.00 H new ATOM 0 HG LEU A 70 2.260 0.465 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.792 1.576 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.635 2.698 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.081 2.756 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.377 -0.306 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.736 0.794 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.391 -0.554 0.065 1.00 0.00 H new ATOM 884 N GLN A 71 4.147 4.785 1.171 1.00 0.00 N ATOM 885 CA GLN A 71 4.076 6.132 1.727 1.00 0.00 C ATOM 886 C GLN A 71 2.630 6.515 2.047 1.00 0.00 C ATOM 887 O GLN A 71 1.788 6.581 1.149 1.00 0.00 O ATOM 888 CB GLN A 71 4.684 7.145 0.758 1.00 0.00 C ATOM 889 CG GLN A 71 5.182 8.408 1.439 1.00 0.00 C ATOM 890 CD GLN A 71 6.652 8.335 1.804 1.00 0.00 C ATOM 891 OE1 GLN A 71 7.039 8.632 2.933 1.00 0.00 O ATOM 892 NE2 GLN A 71 7.482 7.938 0.843 1.00 0.00 N ATOM 0 H GLN A 71 3.416 4.568 0.493 1.00 0.00 H new ATOM 0 HA GLN A 71 4.649 6.143 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.513 6.677 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.938 7.414 0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.017 9.260 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.596 8.585 2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.118 7.701 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.483 7.870 1.029 1.00 0.00 H new ATOM 897 N PRO A 72 2.320 6.767 3.334 1.00 0.00 N ATOM 898 CA PRO A 72 0.967 7.137 3.767 1.00 0.00 C ATOM 899 C PRO A 72 0.537 8.504 3.242 1.00 0.00 C ATOM 900 O PRO A 72 1.373 9.371 2.983 1.00 0.00 O ATOM 901 CB PRO A 72 1.066 7.164 5.300 1.00 0.00 C ATOM 902 CG PRO A 72 2.338 6.460 5.631 1.00 0.00 C ATOM 903 CD PRO A 72 3.251 6.706 4.471 1.00 0.00 C ATOM 0 HA PRO A 72 0.222 6.438 3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.075 8.188 5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.211 6.665 5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.768 6.843 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.169 5.393 5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.811 7.634 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.981 5.906 4.354 1.00 0.00 H new ATOM 905 N ALA A 73 -0.772 8.690 3.097 1.00 0.00 N ATOM 906 CA ALA A 73 -1.320 9.952 2.612 1.00 0.00 C ATOM 907 C ALA A 73 -2.709 10.203 3.189 1.00 0.00 C ATOM 908 O ALA A 73 -3.573 9.326 3.155 1.00 0.00 O ATOM 909 CB ALA A 73 -1.375 9.958 1.091 1.00 0.00 C ATOM 0 H ALA A 73 -1.474 7.981 3.309 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.662 10.755 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.786 10.906 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.369 9.831 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.009 9.141 0.747 1.00 0.00 H new ATOM 915 N GLY A 74 -2.919 11.406 3.717 1.00 0.00 N ATOM 916 CA GLY A 74 -4.209 11.747 4.290 1.00 0.00 C ATOM 917 C GLY A 74 -4.125 12.074 5.769 1.00 0.00 C ATOM 918 O GLY A 74 -3.063 11.945 6.381 1.00 0.00 O ATOM 0 H GLY A 74 -2.221 12.149 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.624 12.602 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.898 10.915 4.145 1.00 0.00 H new ATOM 922 N ASP A 75 -5.248 12.498 6.342 1.00 0.00 N ATOM 923 CA ASP A 75 -5.302 12.847 7.758 1.00 0.00 C ATOM 924 C ASP A 75 -5.392 11.594 8.625 1.00 0.00 C ATOM 925 O ASP A 75 -4.845 11.552 9.727 1.00 0.00 O ATOM 926 CB ASP A 75 -6.498 13.761 8.034 1.00 0.00 C ATOM 927 CG ASP A 75 -6.554 14.221 9.478 1.00 0.00 C ATOM 928 OD1 ASP A 75 -5.560 14.811 9.953 1.00 0.00 O ATOM 929 OD2 ASP A 75 -7.591 13.990 10.136 1.00 0.00 O ATOM 0 H ASP A 75 -6.133 12.608 5.847 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.383 13.376 8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.445 14.632 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.419 13.233 7.788 1.00 0.00 H new ATOM 932 N MET A 76 -6.088 10.577 8.123 1.00 0.00 N ATOM 933 CA MET A 76 -6.247 9.326 8.856 1.00 0.00 C ATOM 934 C MET A 76 -4.906 8.622 9.029 1.00 0.00 C ATOM 935 O MET A 76 -4.559 8.186 10.127 1.00 0.00 O ATOM 936 CB MET A 76 -7.231 8.402 8.136 1.00 0.00 C ATOM 937 CG MET A 76 -7.560 7.142 8.920 1.00 0.00 C ATOM 938 SD MET A 76 -7.794 5.703 7.860 1.00 0.00 S ATOM 939 CE MET A 76 -8.630 4.588 8.985 1.00 0.00 C ATOM 0 H MET A 76 -6.550 10.595 7.214 1.00 0.00 H new ATOM 0 HA MET A 76 -6.644 9.565 9.843 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.153 8.949 7.938 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.813 8.121 7.169 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.756 6.940 9.628 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.465 7.309 9.504 1.00 0.00 H new ATOM 0 HE1 MET A 76 -8.370 3.559 8.737 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.322 4.804 10.008 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.708 4.721 8.895 1.00 0.00 H new ATOM 945 N SER A 77 -4.155 8.512 7.937 1.00 0.00 N ATOM 946 CA SER A 77 -2.852 7.860 7.969 1.00 0.00 C ATOM 947 C SER A 77 -1.894 8.614 8.885 1.00 0.00 C ATOM 948 O SER A 77 -0.965 8.030 9.445 1.00 0.00 O ATOM 949 CB SER A 77 -2.266 7.775 6.558 1.00 0.00 C ATOM 950 OG SER A 77 -2.309 9.033 5.909 1.00 0.00 O ATOM 0 H SER A 77 -4.427 8.866 7.020 1.00 0.00 H new ATOM 0 HA SER A 77 -2.985 6.851 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.235 7.425 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.823 7.042 5.974 1.00 0.00 H new ATOM 0 HG SER A 77 -1.427 9.239 5.536 1.00 0.00 H new ATOM 954 N LYS A 78 -2.131 9.914 9.038 1.00 0.00 N ATOM 955 CA LYS A 78 -1.294 10.751 9.889 1.00 0.00 C ATOM 956 C LYS A 78 -1.478 10.380 11.356 1.00 0.00 C ATOM 957 O LYS A 78 -0.529 10.415 12.141 1.00 0.00 O ATOM 958 CB LYS A 78 -1.629 12.228 9.677 1.00 0.00 C ATOM 959 CG LYS A 78 -0.405 13.110 9.502 1.00 0.00 C ATOM 960 CD LYS A 78 -0.748 14.408 8.791 1.00 0.00 C ATOM 961 CE LYS A 78 -0.676 15.598 9.734 1.00 0.00 C ATOM 962 NZ LYS A 78 -1.643 16.665 9.359 1.00 0.00 N ATOM 0 H LYS A 78 -2.897 10.410 8.583 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.253 10.582 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.265 12.325 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.206 12.587 10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.027 13.332 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.353 12.572 8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.061 14.560 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.750 14.338 8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.879 15.266 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.335 16.006 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.561 17.458 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.434 17.000 8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.610 16.284 9.391 1.00 0.00 H new ATOM 968 N SER A 79 -2.706 10.020 11.718 1.00 0.00 N ATOM 969 CA SER A 79 -3.018 9.637 13.090 1.00 0.00 C ATOM 970 C SER A 79 -2.730 8.157 13.315 1.00 0.00 C ATOM 971 O SER A 79 -2.596 7.705 14.452 1.00 0.00 O ATOM 972 CB SER A 79 -4.484 9.940 13.407 1.00 0.00 C ATOM 973 OG SER A 79 -4.857 9.403 14.665 1.00 0.00 O ATOM 0 H SER A 79 -3.501 9.986 11.080 1.00 0.00 H new ATOM 0 HA SER A 79 -2.384 10.219 13.759 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.644 11.018 13.407 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.121 9.523 12.627 1.00 0.00 H new ATOM 0 HG SER A 79 -5.798 9.612 14.844 1.00 0.00 H new ATOM 977 N ALA A 80 -2.634 7.407 12.220 1.00 0.00 N ATOM 978 CA ALA A 80 -2.358 5.977 12.292 1.00 0.00 C ATOM 979 C ALA A 80 -1.002 5.714 12.935 1.00 0.00 C ATOM 980 O ALA A 80 -0.887 4.917 13.865 1.00 0.00 O ATOM 981 CB ALA A 80 -2.412 5.358 10.902 1.00 0.00 C ATOM 0 H ALA A 80 -2.744 7.767 11.272 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.124 5.515 12.914 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.204 4.290 10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.404 5.508 10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.667 5.832 10.263 1.00 0.00 H new ATOM 987 N VAL A 81 0.023 6.394 12.431 1.00 0.00 N ATOM 988 CA VAL A 81 1.373 6.241 12.954 1.00 0.00 C ATOM 989 C VAL A 81 1.586 7.114 14.186 1.00 0.00 C ATOM 990 O VAL A 81 2.686 7.173 14.735 1.00 0.00 O ATOM 991 CB VAL A 81 2.431 6.602 11.892 1.00 0.00 C ATOM 992 CG1 VAL A 81 2.454 5.557 10.786 1.00 0.00 C ATOM 993 CG2 VAL A 81 2.165 7.988 11.324 1.00 0.00 C ATOM 0 H VAL A 81 -0.057 7.057 11.660 1.00 0.00 H new ATOM 0 HA VAL A 81 1.490 5.193 13.230 1.00 0.00 H new ATOM 0 HB VAL A 81 3.411 6.613 12.369 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.206 5.828 10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.697 4.583 11.211 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.475 5.511 10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.921 8.226 10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.178 8.008 10.861 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.205 8.724 12.127 1.00 0.00 H new ATOM 1003 N ASP A 82 0.524 7.791 14.616 1.00 0.00 N ATOM 1004 CA ASP A 82 0.590 8.661 15.783 1.00 0.00 C ATOM 1005 C ASP A 82 0.342 7.870 17.065 1.00 0.00 C ATOM 1006 O ASP A 82 1.279 7.545 17.794 1.00 0.00 O ATOM 1007 CB ASP A 82 -0.431 9.796 15.659 1.00 0.00 C ATOM 1008 CG ASP A 82 -0.464 10.683 16.889 1.00 0.00 C ATOM 1009 OD1 ASP A 82 0.616 10.954 17.455 1.00 0.00 O ATOM 1010 OD2 ASP A 82 -1.570 11.110 17.283 1.00 0.00 O ATOM 0 H ASP A 82 -0.393 7.752 14.172 1.00 0.00 H new ATOM 0 HA ASP A 82 1.591 9.089 15.831 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.192 10.401 14.785 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.422 9.373 15.493 1.00 0.00 H new ATOM 1013 N GLY A 83 -0.925 7.562 17.330 1.00 0.00 N ATOM 1014 CA GLY A 83 -1.270 6.808 18.521 1.00 0.00 C ATOM 1015 C GLY A 83 -0.725 5.394 18.487 1.00 0.00 C ATOM 1016 O GLY A 83 0.358 5.127 19.009 1.00 0.00 O ATOM 0 H GLY A 83 -1.717 7.821 16.742 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.881 7.323 19.399 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.354 6.774 18.625 1.00 0.00 H new ATOM 1020 N THR A 84 -1.473 4.486 17.867 1.00 0.00 N ATOM 1021 CA THR A 84 -1.056 3.094 17.762 1.00 0.00 C ATOM 1022 C THR A 84 -0.339 2.836 16.443 1.00 0.00 C ATOM 1023 O THR A 84 -0.973 2.605 15.413 1.00 0.00 O ATOM 1024 CB THR A 84 -2.257 2.137 17.878 1.00 0.00 C ATOM 1025 OG1 THR A 84 -3.479 2.884 17.914 1.00 0.00 O ATOM 1026 CG2 THR A 84 -2.146 1.278 19.128 1.00 0.00 C ATOM 0 H THR A 84 -2.372 4.691 17.430 1.00 0.00 H new ATOM 0 HA THR A 84 -0.371 2.905 18.589 1.00 0.00 H new ATOM 0 HB THR A 84 -2.257 1.484 17.006 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.237 2.267 17.986 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.005 0.610 19.188 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.231 0.688 19.084 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.122 1.919 20.009 1.00 0.00 H new ATOM 1034 N ALA A 85 0.990 2.884 16.479 1.00 0.00 N ATOM 1035 CA ALA A 85 1.796 2.660 15.285 1.00 0.00 C ATOM 1036 C ALA A 85 2.179 1.190 15.145 1.00 0.00 C ATOM 1037 O ALA A 85 3.072 0.844 14.370 1.00 0.00 O ATOM 1038 CB ALA A 85 3.041 3.534 15.315 1.00 0.00 C ATOM 0 H ALA A 85 1.530 3.076 17.322 1.00 0.00 H new ATOM 0 HA ALA A 85 1.196 2.934 14.417 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.633 3.356 14.417 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.748 4.583 15.354 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.635 3.290 16.196 1.00 0.00 H new ATOM 1044 N GLU A 86 1.497 0.327 15.894 1.00 0.00 N ATOM 1045 CA GLU A 86 1.765 -1.106 15.848 1.00 0.00 C ATOM 1046 C GLU A 86 1.561 -1.641 14.436 1.00 0.00 C ATOM 1047 O GLU A 86 2.264 -2.547 13.991 1.00 0.00 O ATOM 1048 CB GLU A 86 0.857 -1.853 16.827 1.00 0.00 C ATOM 1049 CG GLU A 86 1.153 -3.343 16.915 1.00 0.00 C ATOM 1050 CD GLU A 86 0.583 -3.978 18.167 1.00 0.00 C ATOM 1051 OE1 GLU A 86 -0.598 -4.386 18.143 1.00 0.00 O ATOM 1052 OE2 GLU A 86 1.318 -4.069 19.174 1.00 0.00 O ATOM 0 H GLU A 86 0.755 0.596 16.540 1.00 0.00 H new ATOM 0 HA GLU A 86 2.803 -1.269 16.139 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.963 -1.411 17.818 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.181 -1.714 16.525 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.741 -3.844 16.039 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.232 -3.497 16.893 1.00 0.00 H new ATOM 1055 N ASN A 87 0.594 -1.061 13.740 1.00 0.00 N ATOM 1056 CA ASN A 87 0.283 -1.456 12.374 1.00 0.00 C ATOM 1057 C ASN A 87 0.282 -0.237 11.453 1.00 0.00 C ATOM 1058 O ASN A 87 -0.722 0.470 11.347 1.00 0.00 O ATOM 1059 CB ASN A 87 -1.075 -2.158 12.325 1.00 0.00 C ATOM 1060 CG ASN A 87 -2.065 -1.577 13.317 1.00 0.00 C ATOM 1061 OD1 ASN A 87 -2.316 -0.372 13.327 1.00 0.00 O ATOM 1062 ND2 ASN A 87 -2.633 -2.435 14.157 1.00 0.00 N ATOM 0 H ASN A 87 0.007 -0.309 14.102 1.00 0.00 H new ATOM 0 HA ASN A 87 1.050 -2.149 12.029 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.485 -2.079 11.318 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.939 -3.220 12.531 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.307 -2.103 14.846 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.395 -3.426 14.113 1.00 0.00 H new ATOM 1067 N PRO A 88 1.413 0.029 10.773 1.00 0.00 N ATOM 1068 CA PRO A 88 1.535 1.173 9.863 1.00 0.00 C ATOM 1069 C PRO A 88 0.568 1.083 8.688 1.00 0.00 C ATOM 1070 O PRO A 88 -0.270 1.964 8.493 1.00 0.00 O ATOM 1071 CB PRO A 88 2.988 1.100 9.373 1.00 0.00 C ATOM 1072 CG PRO A 88 3.413 -0.306 9.622 1.00 0.00 C ATOM 1073 CD PRO A 88 2.658 -0.758 10.839 1.00 0.00 C ATOM 0 HA PRO A 88 1.292 2.112 10.360 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.060 1.352 8.315 1.00 0.00 H new ATOM 0 HB3 PRO A 88 3.621 1.804 9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.186 -0.940 8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.489 -0.365 9.786 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.459 -1.829 10.815 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.213 -0.557 11.755 1.00 0.00 H new ATOM 1075 N PHE A 89 0.688 0.013 7.908 1.00 0.00 N ATOM 1076 CA PHE A 89 -0.179 -0.189 6.754 1.00 0.00 C ATOM 1077 C PHE A 89 -1.582 -0.595 7.193 1.00 0.00 C ATOM 1078 O PHE A 89 -1.761 -1.594 7.889 1.00 0.00 O ATOM 1079 CB PHE A 89 0.406 -1.259 5.829 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.104 -1.170 4.419 1.00 0.00 C ATOM 1081 CD1 PHE A 89 -1.277 -1.807 4.052 1.00 0.00 C ATOM 1082 CD2 PHE A 89 0.592 -0.448 3.463 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -1.749 -1.726 2.756 1.00 0.00 C ATOM 1084 CE2 PHE A 89 0.124 -0.363 2.165 1.00 0.00 C ATOM 1085 CZ PHE A 89 -1.047 -1.003 1.811 1.00 0.00 C ATOM 0 H PHE A 89 1.376 -0.726 8.054 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.244 0.754 6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.492 -1.168 5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.171 -2.245 6.231 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.829 -2.374 4.787 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.509 0.053 3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.666 -2.227 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.674 0.204 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.414 -0.939 0.797 1.00 0.00 H new ATOM 1093 N LEU A 90 -2.573 0.189 6.780 1.00 0.00 N ATOM 1094 CA LEU A 90 -3.963 -0.088 7.126 1.00 0.00 C ATOM 1095 C LEU A 90 -4.693 -0.740 5.958 1.00 0.00 C ATOM 1096 O LEU A 90 -4.245 -0.663 4.814 1.00 0.00 O ATOM 1097 CB LEU A 90 -4.675 1.205 7.532 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.137 1.872 8.800 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -4.589 3.322 8.873 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -4.591 1.107 10.035 1.00 0.00 C ATOM 0 H LEU A 90 -2.439 1.021 6.205 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.973 -0.780 7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.603 1.915 6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.734 0.989 7.675 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.048 1.855 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.197 3.780 9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.216 3.863 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.678 3.363 8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.200 1.594 10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.680 1.095 10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.218 0.084 9.987 1.00 0.00 H new ATOM 1110 N ASP A 91 -5.818 -1.383 6.254 1.00 0.00 N ATOM 1111 CA ASP A 91 -6.610 -2.050 5.227 1.00 0.00 C ATOM 1112 C ASP A 91 -7.888 -1.268 4.935 1.00 0.00 C ATOM 1113 O ASP A 91 -8.896 -1.838 4.518 1.00 0.00 O ATOM 1114 CB ASP A 91 -6.952 -3.476 5.663 1.00 0.00 C ATOM 1115 CG ASP A 91 -7.944 -3.512 6.810 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.868 -2.628 7.689 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -8.798 -4.424 6.828 1.00 0.00 O ATOM 0 H ASP A 91 -6.202 -1.456 7.196 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.017 -2.093 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.363 -4.023 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.038 -3.990 5.961 1.00 0.00 H new ATOM 1120 N ASN A 92 -7.834 0.041 5.159 1.00 0.00 N ATOM 1121 CA ASN A 92 -8.983 0.908 4.921 1.00 0.00 C ATOM 1122 C ASN A 92 -8.809 1.695 3.623 1.00 0.00 C ATOM 1123 O ASN A 92 -7.689 2.033 3.241 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.170 1.873 6.094 1.00 0.00 C ATOM 1125 CG ASN A 92 -9.238 1.156 7.429 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -8.247 0.593 7.895 1.00 0.00 O ATOM 1127 ND2 ASN A 92 -10.411 1.172 8.051 1.00 0.00 N ATOM 0 H ASN A 92 -7.006 0.525 5.505 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.870 0.281 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.345 2.586 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.085 2.447 5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.517 0.705 8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.206 1.651 7.628 1.00 0.00 H new ATOM 1132 N PRO A 93 -9.921 2.002 2.923 1.00 0.00 N ATOM 1133 CA PRO A 93 -9.876 2.752 1.669 1.00 0.00 C ATOM 1134 C PRO A 93 -9.563 4.229 1.887 1.00 0.00 C ATOM 1135 O PRO A 93 -8.983 4.885 1.021 1.00 0.00 O ATOM 1136 CB PRO A 93 -11.284 2.583 1.099 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.154 2.331 2.278 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.299 1.641 3.304 1.00 0.00 C ATOM 0 HA PRO A 93 -9.089 2.389 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.600 3.476 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.326 1.753 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.553 3.266 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.007 1.710 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.535 1.979 4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.448 0.561 3.287 1.00 0.00 H new ATOM 1140 N ASP A 94 -9.949 4.746 3.049 1.00 0.00 N ATOM 1141 CA ASP A 94 -9.710 6.147 3.385 1.00 0.00 C ATOM 1142 C ASP A 94 -8.217 6.455 3.395 1.00 0.00 C ATOM 1143 O ASP A 94 -7.772 7.438 2.803 1.00 0.00 O ATOM 1144 CB ASP A 94 -10.320 6.479 4.747 1.00 0.00 C ATOM 1145 CG ASP A 94 -11.785 6.097 4.833 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -12.074 4.922 5.144 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -12.641 6.971 4.591 1.00 0.00 O ATOM 0 H ASP A 94 -10.430 4.215 3.776 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.186 6.764 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.765 5.958 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.214 7.547 4.939 1.00 0.00 H new ATOM 1150 N ALA A 95 -7.448 5.605 4.068 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.003 5.784 4.155 1.00 0.00 C ATOM 1152 C ALA A 95 -5.345 5.570 2.796 1.00 0.00 C ATOM 1153 O ALA A 95 -5.509 4.520 2.175 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.415 4.829 5.184 1.00 0.00 C ATOM 0 H ALA A 95 -7.802 4.785 4.561 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.804 6.808 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.336 4.973 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.858 5.028 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.630 3.801 4.891 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.603 6.574 2.339 1.00 0.00 N ATOM 1161 CA PHE A 96 -3.923 6.493 1.050 1.00 0.00 C ATOM 1162 C PHE A 96 -2.494 5.992 1.215 1.00 0.00 C ATOM 1163 O PHE A 96 -1.859 6.220 2.244 1.00 0.00 O ATOM 1164 CB PHE A 96 -3.908 7.861 0.366 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.271 8.412 0.075 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -6.113 7.778 -0.827 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -5.709 9.568 0.697 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -7.366 8.290 -1.099 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -6.960 10.085 0.428 1.00 0.00 C ATOM 1170 CZ PHE A 96 -7.790 9.445 -0.471 1.00 0.00 C ATOM 0 H PHE A 96 -4.457 7.451 2.840 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.473 5.785 0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.370 8.566 0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.352 7.783 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.785 6.875 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.064 10.072 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.014 7.788 -1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.289 10.988 0.920 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.770 9.847 -0.683 1.00 0.00 H new ATOM 1178 N TYR A 97 -1.997 5.314 0.186 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.640 4.781 0.196 1.00 0.00 C ATOM 1180 C TYR A 97 -0.071 4.758 -1.219 1.00 0.00 C ATOM 1181 O TYR A 97 -0.425 3.898 -2.022 1.00 0.00 O ATOM 1182 CB TYR A 97 -0.623 3.364 0.780 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.014 3.298 2.239 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.156 3.757 3.232 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.242 2.774 2.626 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.510 3.695 4.566 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.604 2.709 3.957 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.734 3.170 4.923 1.00 0.00 C ATOM 1189 OH TYR A 97 -2.091 3.106 6.251 1.00 0.00 O ATOM 0 H TYR A 97 -2.517 5.120 -0.670 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.024 5.428 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.302 2.736 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.376 2.945 0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.803 4.169 2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -2.925 2.411 1.872 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.168 4.056 5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.563 2.300 4.240 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.359 2.709 6.768 1.00 0.00 H new ATOM 1197 N TYR A 98 0.811 5.708 -1.521 1.00 0.00 N ATOM 1198 CA TYR A 98 1.420 5.787 -2.845 1.00 0.00 C ATOM 1199 C TYR A 98 2.857 5.279 -2.812 1.00 0.00 C ATOM 1200 O TYR A 98 3.315 4.756 -1.795 1.00 0.00 O ATOM 1201 CB TYR A 98 1.381 7.225 -3.375 1.00 0.00 C ATOM 1202 CG TYR A 98 2.099 8.232 -2.505 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.432 8.902 -1.488 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.442 8.523 -2.711 1.00 0.00 C ATOM 1205 CE1 TYR A 98 2.082 9.832 -0.700 1.00 0.00 C ATOM 1206 CE2 TYR A 98 4.100 9.449 -1.927 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.416 10.102 -0.922 1.00 0.00 C ATOM 1208 OH TYR A 98 4.067 11.027 -0.139 1.00 0.00 O ATOM 0 H TYR A 98 1.118 6.430 -0.870 1.00 0.00 H new ATOM 0 HA TYR A 98 0.843 5.152 -3.518 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.823 7.244 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.340 7.532 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.388 8.693 -1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.980 8.016 -3.498 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.548 10.345 0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.145 9.661 -2.099 1.00 0.00 H new ATOM 0 HH TYR A 98 5.002 11.098 -0.425 1.00 0.00 H new ATOM 1216 N PHE A 99 3.567 5.436 -3.929 1.00 0.00 N ATOM 1217 CA PHE A 99 4.951 4.984 -4.012 1.00 0.00 C ATOM 1218 C PHE A 99 5.917 6.167 -3.960 1.00 0.00 C ATOM 1219 O PHE A 99 5.621 7.239 -4.489 1.00 0.00 O ATOM 1220 CB PHE A 99 5.175 4.170 -5.290 1.00 0.00 C ATOM 1221 CG PHE A 99 4.702 2.745 -5.188 1.00 0.00 C ATOM 1222 CD1 PHE A 99 5.120 1.933 -4.142 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.840 2.214 -6.136 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.686 0.624 -4.046 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.404 0.906 -6.043 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.828 0.111 -4.997 1.00 0.00 C ATOM 0 H PHE A 99 3.209 5.869 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 99 5.149 4.344 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.658 4.657 -6.116 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.238 4.175 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.792 2.329 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.505 2.831 -6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.018 0.003 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.732 0.506 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.488 -0.912 -4.923 1.00 0.00 H new TER 1234 PHE A 99