USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 731 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 20 HIS : no HE2:sc= 0.682 K(o=1.6,f=-7.5!) USER MOD Set 1.2: A 31 TYR OH : rot 20:sc= 0.957 USER MOD Set 2.1: A 14 ASN : amide:sc= -2.32 K(o=-1.4,f=-4.8!) USER MOD Set 2.2: A 18 TYR OH : rot 131:sc= 0.889 USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.0292 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 3 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.784) USER MOD Single : A 4 ASN : amide:sc= -0.566 K(o=-0.57,f=-1.5) USER MOD Single : A 8 TYR OH : rot 80:sc= 1.12 USER MOD Single : A 15 HIS : no HD1:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 118:sc= -4.31 USER MOD Single : A 26 SER OG : rot 180:sc= -0.922 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 15:sc= 0.381 USER MOD Single : A 99 GLN : amide:sc=-0.00278 X(o=-0.0028,f=-0.0022) USER MOD Single : A 107 LYS NZ :NH3+ 148:sc= -0.271 (180deg=-1.22!) USER MOD Single : A 108 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.24) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0.068) USER MOD Single : A 115 SER OG : rot 5:sc= 1.17 USER MOD Single : A 117 SER OG : rot -36:sc= 0.0297 USER MOD Single : A 118 MET CE :methyl -126:sc= -3.42! (180deg=-7.51!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.2!) USER MOD Single : A 125 SER OG : rot 180:sc= -0.0178 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= 1.12 F(o=-0.26,f=1.1) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.119 F(o=-2.2!,f=-0.12) USER MOD Single : A 141 LYS NZ :NH3+ -165:sc= -0.218 (180deg=-0.742) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 THR OG1 : rot -38:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.753 14.138 -4.296 1.00 0.00 N ATOM 2 CA SER A 1 -2.757 12.658 -4.150 1.00 0.00 C ATOM 3 C SER A 1 -1.388 12.069 -4.472 1.00 0.00 C ATOM 4 O SER A 1 -1.135 11.642 -5.599 1.00 0.00 O ATOM 5 CB SER A 1 -3.815 12.079 -5.089 1.00 0.00 C ATOM 6 OG SER A 1 -5.085 12.661 -4.849 1.00 0.00 O ATOM 0 H1 SER A 1 -3.670 14.452 -4.673 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.591 14.578 -3.368 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.995 14.420 -4.950 1.00 0.00 H new ATOM 0 HA SER A 1 -2.990 12.401 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.521 12.254 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.875 10.999 -4.952 1.00 0.00 H new ATOM 0 HG SER A 1 -5.743 12.275 -5.464 1.00 0.00 H new ATOM 14 N ILE A 2 -0.510 12.047 -3.475 1.00 0.00 N ATOM 15 CA ILE A 2 0.832 11.507 -3.653 1.00 0.00 C ATOM 16 C ILE A 2 0.858 10.010 -3.372 1.00 0.00 C ATOM 17 O ILE A 2 1.605 9.262 -4.001 1.00 0.00 O ATOM 18 CB ILE A 2 1.847 12.206 -2.729 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.686 13.725 -2.809 1.00 0.00 C ATOM 20 CG2 ILE A 2 3.266 11.799 -3.097 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.374 14.463 -1.681 1.00 0.00 C ATOM 0 H ILE A 2 -0.704 12.397 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 2 1.112 11.688 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 2 1.654 11.894 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.087 14.076 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.624 13.971 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.972 12.301 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.374 10.720 -2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.470 12.084 -4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.219 15.535 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.957 14.140 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.442 14.246 -1.702 1.00 0.00 H new ATOM 33 N LYS A 3 0.035 9.581 -2.422 1.00 0.00 N ATOM 34 CA LYS A 3 -0.039 8.172 -2.055 1.00 0.00 C ATOM 35 C LYS A 3 -1.490 7.734 -1.880 1.00 0.00 C ATOM 36 O LYS A 3 -2.318 8.489 -1.372 1.00 0.00 O ATOM 37 CB LYS A 3 0.741 7.919 -0.763 1.00 0.00 C ATOM 38 CG LYS A 3 1.369 6.537 -0.692 1.00 0.00 C ATOM 39 CD LYS A 3 2.603 6.436 -1.577 1.00 0.00 C ATOM 40 CE LYS A 3 3.808 5.920 -0.803 1.00 0.00 C ATOM 41 NZ LYS A 3 4.092 4.490 -1.106 1.00 0.00 N ATOM 0 H LYS A 3 -0.590 10.188 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 3 0.406 7.587 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.525 8.670 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.071 8.049 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.641 6.313 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.638 5.789 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.396 5.771 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.832 7.416 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.682 6.523 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.630 6.036 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.395 4.005 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.232 4.036 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.847 4.429 -1.818 1.00 0.00 H new ATOM 55 N ASN A 4 -1.791 6.514 -2.308 1.00 0.00 N ATOM 56 CA ASN A 4 -3.144 5.979 -2.199 1.00 0.00 C ATOM 57 C ASN A 4 -3.126 4.454 -2.152 1.00 0.00 C ATOM 58 O ASN A 4 -2.632 3.799 -3.072 1.00 0.00 O ATOM 59 CB ASN A 4 -4.000 6.454 -3.374 1.00 0.00 C ATOM 60 CG ASN A 4 -3.459 5.988 -4.711 1.00 0.00 C ATOM 61 OD1 ASN A 4 -3.724 4.868 -5.145 1.00 0.00 O ATOM 62 ND2 ASN A 4 -2.693 6.849 -5.373 1.00 0.00 N ATOM 0 H ASN A 4 -1.118 5.877 -2.733 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.578 6.348 -1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.019 6.086 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.051 7.543 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.300 6.591 -6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.498 7.768 -4.976 1.00 0.00 H new ATOM 69 N GLY A 5 -3.667 3.895 -1.076 1.00 0.00 N ATOM 70 CA GLY A 5 -3.704 2.452 -0.927 1.00 0.00 C ATOM 71 C GLY A 5 -4.568 2.013 0.239 1.00 0.00 C ATOM 72 O GLY A 5 -5.197 2.839 0.900 1.00 0.00 O ATOM 0 H GLY A 5 -4.081 4.416 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.083 2.004 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.690 2.078 -0.785 1.00 0.00 H new ATOM 76 N ILE A 6 -4.597 0.710 0.494 1.00 0.00 N ATOM 77 CA ILE A 6 -5.389 0.163 1.589 1.00 0.00 C ATOM 78 C ILE A 6 -4.504 -0.200 2.776 1.00 0.00 C ATOM 79 O ILE A 6 -4.024 -1.328 2.884 1.00 0.00 O ATOM 80 CB ILE A 6 -6.180 -1.085 1.145 1.00 0.00 C ATOM 81 CG1 ILE A 6 -7.038 -0.761 -0.079 1.00 0.00 C ATOM 82 CG2 ILE A 6 -7.048 -1.603 2.286 1.00 0.00 C ATOM 83 CD1 ILE A 6 -6.268 -0.788 -1.381 1.00 0.00 C ATOM 0 H ILE A 6 -4.081 0.013 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.094 0.938 1.889 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.471 -1.867 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.859 -1.476 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.483 0.226 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.598 -2.483 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.415 -1.869 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.752 -0.828 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.939 -0.549 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.464 -0.053 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.845 -1.781 -1.533 1.00 0.00 H new ATOM 95 N LEU A 7 -4.295 0.764 3.667 1.00 0.00 N ATOM 96 CA LEU A 7 -3.472 0.546 4.849 1.00 0.00 C ATOM 97 C LEU A 7 -4.280 -0.138 5.949 1.00 0.00 C ATOM 98 O LEU A 7 -5.464 0.143 6.129 1.00 0.00 O ATOM 99 CB LEU A 7 -2.908 1.876 5.356 1.00 0.00 C ATOM 100 CG LEU A 7 -1.573 2.295 4.733 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.434 1.467 5.307 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.623 2.159 3.218 1.00 0.00 C ATOM 0 H LEU A 7 -4.685 1.704 3.592 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.643 -0.106 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.641 2.660 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.782 1.811 6.437 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.394 3.342 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.507 1.778 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.383 1.616 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.608 0.412 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.666 2.461 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.826 1.122 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.413 2.797 2.821 1.00 0.00 H new ATOM 114 N TYR A 8 -3.633 -1.041 6.676 1.00 0.00 N ATOM 115 CA TYR A 8 -4.291 -1.772 7.753 1.00 0.00 C ATOM 116 C TYR A 8 -4.426 -0.911 9.005 1.00 0.00 C ATOM 117 O TYR A 8 -3.551 -0.102 9.315 1.00 0.00 O ATOM 118 CB TYR A 8 -3.515 -3.049 8.080 1.00 0.00 C ATOM 119 CG TYR A 8 -3.417 -4.012 6.918 1.00 0.00 C ATOM 120 CD1 TYR A 8 -2.501 -3.804 5.893 1.00 0.00 C ATOM 121 CD2 TYR A 8 -4.239 -5.129 6.846 1.00 0.00 C ATOM 122 CE1 TYR A 8 -2.409 -4.683 4.830 1.00 0.00 C ATOM 123 CE2 TYR A 8 -4.153 -6.011 5.786 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.237 -5.783 4.781 1.00 0.00 C ATOM 125 OH TYR A 8 -3.148 -6.661 3.724 1.00 0.00 O ATOM 0 H TYR A 8 -2.652 -1.285 6.539 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.292 -2.037 7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.510 -2.780 8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.996 -3.552 8.919 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.851 -2.942 5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.957 -5.311 7.632 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.692 -4.508 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.800 -6.875 5.745 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.388 -7.264 3.862 1.00 0.00 H new ATOM 135 N LEU A 9 -5.530 -1.095 9.722 1.00 0.00 N ATOM 136 CA LEU A 9 -5.788 -0.345 10.945 1.00 0.00 C ATOM 137 C LEU A 9 -6.685 -1.144 11.886 1.00 0.00 C ATOM 138 O LEU A 9 -7.840 -1.427 11.564 1.00 0.00 O ATOM 139 CB LEU A 9 -6.442 1.000 10.617 1.00 0.00 C ATOM 140 CG LEU A 9 -5.493 2.062 10.058 1.00 0.00 C ATOM 141 CD1 LEU A 9 -5.622 2.152 8.545 1.00 0.00 C ATOM 142 CD2 LEU A 9 -5.768 3.415 10.697 1.00 0.00 C ATOM 0 H LEU A 9 -6.263 -1.760 9.475 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.835 -0.163 11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.241 0.832 9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.908 1.391 11.522 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.471 1.769 10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.939 2.913 8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.374 1.188 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.645 2.420 8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.083 4.157 10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.795 3.714 10.488 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.623 3.344 11.775 1.00 0.00 H new ATOM 154 N GLU A 10 -6.147 -1.510 13.044 1.00 0.00 N ATOM 155 CA GLU A 10 -6.901 -2.283 14.025 1.00 0.00 C ATOM 156 C GLU A 10 -7.963 -1.427 14.705 1.00 0.00 C ATOM 157 O GLU A 10 -7.728 -0.259 15.018 1.00 0.00 O ATOM 158 CB GLU A 10 -5.960 -2.878 15.077 1.00 0.00 C ATOM 159 CG GLU A 10 -5.178 -1.832 15.855 1.00 0.00 C ATOM 160 CD GLU A 10 -6.000 -1.182 16.950 1.00 0.00 C ATOM 161 OE1 GLU A 10 -6.625 -1.920 17.742 1.00 0.00 O ATOM 162 OE2 GLU A 10 -6.021 0.065 17.015 1.00 0.00 O ATOM 0 H GLU A 10 -5.193 -1.285 13.327 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.401 -3.093 13.494 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.543 -3.478 15.776 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.259 -3.552 14.585 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.296 -2.297 16.296 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.823 -1.064 15.168 1.00 0.00 H new ATOM 169 N ASP A 11 -9.128 -2.018 14.937 1.00 0.00 N ATOM 170 CA ASP A 11 -10.227 -1.317 15.588 1.00 0.00 C ATOM 171 C ASP A 11 -10.419 -1.829 17.014 1.00 0.00 C ATOM 172 O ASP A 11 -10.168 -3.000 17.300 1.00 0.00 O ATOM 173 CB ASP A 11 -11.520 -1.495 14.788 1.00 0.00 C ATOM 174 CG ASP A 11 -12.192 -0.173 14.471 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.686 0.553 13.591 1.00 0.00 O ATOM 176 OD2 ASP A 11 -13.222 0.137 15.107 1.00 0.00 O ATOM 0 H ASP A 11 -9.336 -2.984 14.683 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.981 -0.256 15.629 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.299 -2.019 13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.209 -2.123 15.352 1.00 0.00 H new ATOM 181 N PRO A 12 -10.866 -0.955 17.931 1.00 0.00 N ATOM 182 CA PRO A 12 -11.085 -1.328 19.331 1.00 0.00 C ATOM 183 C PRO A 12 -12.325 -2.199 19.522 1.00 0.00 C ATOM 184 O PRO A 12 -12.588 -2.682 20.623 1.00 0.00 O ATOM 185 CB PRO A 12 -11.266 0.020 20.028 1.00 0.00 C ATOM 186 CG PRO A 12 -11.804 0.923 18.972 1.00 0.00 C ATOM 187 CD PRO A 12 -11.189 0.463 17.677 1.00 0.00 C ATOM 0 HA PRO A 12 -10.262 -1.925 19.725 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.954 -0.059 20.870 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.320 0.392 20.423 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.892 0.867 18.928 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.546 1.962 19.179 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.882 0.573 16.843 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.298 1.039 17.429 1.00 0.00 H new ATOM 195 N VAL A 13 -13.083 -2.402 18.446 1.00 0.00 N ATOM 196 CA VAL A 13 -14.287 -3.218 18.507 1.00 0.00 C ATOM 197 C VAL A 13 -13.939 -4.671 18.805 1.00 0.00 C ATOM 198 O VAL A 13 -14.620 -5.339 19.583 1.00 0.00 O ATOM 199 CB VAL A 13 -15.082 -3.151 17.188 1.00 0.00 C ATOM 200 CG1 VAL A 13 -16.413 -3.871 17.327 1.00 0.00 C ATOM 201 CG2 VAL A 13 -15.289 -1.705 16.765 1.00 0.00 C ATOM 0 H VAL A 13 -12.883 -2.012 17.525 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.905 -2.818 19.311 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.506 -3.654 16.411 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.959 -3.812 16.385 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.236 -4.917 17.579 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.000 -3.401 18.116 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.852 -1.676 15.832 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.843 -1.175 17.540 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.321 -1.226 16.620 1.00 0.00 H new ATOM 211 N ASN A 14 -12.871 -5.151 18.179 1.00 0.00 N ATOM 212 CA ASN A 14 -12.423 -6.526 18.375 1.00 0.00 C ATOM 213 C ASN A 14 -10.898 -6.608 18.473 1.00 0.00 C ATOM 214 O ASN A 14 -10.328 -7.698 18.470 1.00 0.00 O ATOM 215 CB ASN A 14 -12.921 -7.413 17.232 1.00 0.00 C ATOM 216 CG ASN A 14 -12.783 -6.752 15.874 1.00 0.00 C ATOM 217 OD1 ASN A 14 -11.873 -7.065 15.109 1.00 0.00 O ATOM 218 ND2 ASN A 14 -13.689 -5.829 15.571 1.00 0.00 N ATOM 0 H ASN A 14 -12.299 -4.609 17.531 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.842 -6.882 19.316 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.362 -8.349 17.234 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -13.967 -7.666 17.404 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.646 -5.348 14.672 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.427 -5.601 16.237 1.00 0.00 H new ATOM 225 N HIS A 15 -10.239 -5.451 18.563 1.00 0.00 N ATOM 226 CA HIS A 15 -8.784 -5.402 18.667 1.00 0.00 C ATOM 227 C HIS A 15 -8.122 -6.276 17.601 1.00 0.00 C ATOM 228 O HIS A 15 -7.376 -7.204 17.918 1.00 0.00 O ATOM 229 CB HIS A 15 -8.338 -5.844 20.063 1.00 0.00 C ATOM 230 CG HIS A 15 -8.082 -4.702 20.996 1.00 0.00 C ATOM 231 ND1 HIS A 15 -6.921 -4.578 21.732 1.00 0.00 N ATOM 232 CD2 HIS A 15 -8.842 -3.628 21.314 1.00 0.00 C ATOM 233 CE1 HIS A 15 -6.980 -3.478 22.461 1.00 0.00 C ATOM 234 NE2 HIS A 15 -8.135 -2.884 22.225 1.00 0.00 N ATOM 0 H HIS A 15 -10.692 -4.537 18.566 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.470 -4.372 18.501 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.103 -6.490 20.493 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.430 -6.441 19.974 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.823 -3.399 20.923 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.214 -3.125 23.135 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.451 -2.013 22.651 1.00 0.00 H new ATOM 243 N GLU A 16 -8.400 -5.975 16.336 1.00 0.00 N ATOM 244 CA GLU A 16 -7.829 -6.734 15.228 1.00 0.00 C ATOM 245 C GLU A 16 -7.638 -5.845 14.004 1.00 0.00 C ATOM 246 O GLU A 16 -8.493 -5.018 13.684 1.00 0.00 O ATOM 247 CB GLU A 16 -8.730 -7.919 14.875 1.00 0.00 C ATOM 248 CG GLU A 16 -8.753 -9.008 15.934 1.00 0.00 C ATOM 249 CD GLU A 16 -7.491 -9.850 15.932 1.00 0.00 C ATOM 250 OE1 GLU A 16 -6.395 -9.279 15.755 1.00 0.00 O ATOM 251 OE2 GLU A 16 -7.600 -11.082 16.109 1.00 0.00 O ATOM 0 H GLU A 16 -9.016 -5.213 16.053 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.854 -7.109 15.541 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.746 -7.557 14.717 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.395 -8.350 13.931 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.880 -8.552 16.916 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.616 -9.653 15.768 1.00 0.00 H new ATOM 258 N TRP A 17 -6.513 -6.024 13.317 1.00 0.00 N ATOM 259 CA TRP A 17 -6.209 -5.239 12.125 1.00 0.00 C ATOM 260 C TRP A 17 -7.304 -5.399 11.074 1.00 0.00 C ATOM 261 O TRP A 17 -7.865 -6.482 10.909 1.00 0.00 O ATOM 262 CB TRP A 17 -4.860 -5.660 11.539 1.00 0.00 C ATOM 263 CG TRP A 17 -3.731 -5.568 12.520 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.026 -6.606 13.057 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.176 -4.373 13.081 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.066 -6.129 13.918 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.139 -4.762 13.950 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.456 -3.011 12.933 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.381 -3.838 14.666 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.704 -2.096 13.645 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.677 -2.513 14.502 1.00 0.00 C ATOM 0 H TRP A 17 -5.797 -6.706 13.566 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.159 -4.190 12.416 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.934 -6.685 11.176 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.635 -5.032 10.677 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.197 -7.650 12.838 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.407 -6.700 14.447 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.245 -2.680 12.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.588 -4.157 15.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.911 -1.041 13.539 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.107 -1.773 15.044 1.00 0.00 H new ATOM 282 N TYR A 18 -7.603 -4.315 10.366 1.00 0.00 N ATOM 283 CA TYR A 18 -8.629 -4.336 9.331 1.00 0.00 C ATOM 284 C TYR A 18 -8.150 -3.606 8.075 1.00 0.00 C ATOM 285 O TYR A 18 -7.547 -2.537 8.165 1.00 0.00 O ATOM 286 CB TYR A 18 -9.917 -3.694 9.847 1.00 0.00 C ATOM 287 CG TYR A 18 -10.788 -4.634 10.649 1.00 0.00 C ATOM 288 CD1 TYR A 18 -11.489 -5.662 10.030 1.00 0.00 C ATOM 289 CD2 TYR A 18 -10.909 -4.495 12.026 1.00 0.00 C ATOM 290 CE1 TYR A 18 -12.285 -6.524 10.759 1.00 0.00 C ATOM 291 CE2 TYR A 18 -11.703 -5.354 12.763 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.389 -6.365 12.125 1.00 0.00 C ATOM 293 OH TYR A 18 -13.182 -7.221 12.855 1.00 0.00 O ATOM 0 H TYR A 18 -7.149 -3.410 10.491 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.828 -5.376 9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.661 -2.834 10.466 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.489 -3.317 8.999 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.410 -5.789 8.960 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.374 -3.703 12.529 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.823 -7.318 10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.785 -5.233 13.833 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.678 -7.557 13.625 1.00 0.00 H new ATOM 303 N PRO A 19 -8.413 -4.174 6.885 1.00 0.00 N ATOM 304 CA PRO A 19 -8.004 -3.568 5.617 1.00 0.00 C ATOM 305 C PRO A 19 -8.901 -2.402 5.214 1.00 0.00 C ATOM 306 O PRO A 19 -9.910 -2.588 4.535 1.00 0.00 O ATOM 307 CB PRO A 19 -8.144 -4.718 4.622 1.00 0.00 C ATOM 308 CG PRO A 19 -9.234 -5.564 5.182 1.00 0.00 C ATOM 309 CD PRO A 19 -9.129 -5.450 6.681 1.00 0.00 C ATOM 0 HA PRO A 19 -7.000 -3.147 5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.396 -4.353 3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.214 -5.279 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.209 -5.223 4.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.125 -6.600 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.112 -5.437 7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.581 -6.290 7.109 1.00 0.00 H new ATOM 317 N HIS A 20 -8.527 -1.199 5.640 1.00 0.00 N ATOM 318 CA HIS A 20 -9.300 -0.004 5.325 1.00 0.00 C ATOM 319 C HIS A 20 -8.528 0.914 4.384 1.00 0.00 C ATOM 320 O HIS A 20 -7.322 1.107 4.541 1.00 0.00 O ATOM 321 CB HIS A 20 -9.660 0.749 6.608 1.00 0.00 C ATOM 322 CG HIS A 20 -10.771 0.112 7.383 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.667 0.832 8.143 1.00 0.00 N ATOM 324 CD2 HIS A 20 -11.130 -1.188 7.512 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.528 0.003 8.709 1.00 0.00 C ATOM 326 NE2 HIS A 20 -12.224 -1.228 8.340 1.00 0.00 N ATOM 0 H HIS A 20 -7.694 -1.027 6.203 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.216 -0.318 4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.776 0.813 7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.944 1.770 6.353 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.666 1.846 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.646 -2.035 7.049 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.341 0.285 9.362 1.00 0.00 H new ATOM 335 N TYR A 21 -9.230 1.479 3.408 1.00 0.00 N ATOM 336 CA TYR A 21 -8.612 2.380 2.442 1.00 0.00 C ATOM 337 C TYR A 21 -8.007 3.593 3.143 1.00 0.00 C ATOM 338 O TYR A 21 -8.380 3.919 4.270 1.00 0.00 O ATOM 339 CB TYR A 21 -9.641 2.834 1.406 1.00 0.00 C ATOM 340 CG TYR A 21 -9.057 3.067 0.031 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.491 4.290 -0.306 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.072 2.064 -0.930 1.00 0.00 C ATOM 343 CE1 TYR A 21 -7.956 4.507 -1.561 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.539 2.273 -2.188 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.983 3.496 -2.498 1.00 0.00 C ATOM 346 OH TYR A 21 -7.451 3.707 -3.750 1.00 0.00 O ATOM 0 H TYR A 21 -10.229 1.329 3.265 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.813 1.839 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.427 2.083 1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.110 3.755 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.469 5.084 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.507 1.105 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.519 5.464 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.558 1.483 -2.924 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.549 2.894 -4.289 1.00 0.00 H new ATOM 356 N PHE A 22 -7.074 4.257 2.468 1.00 0.00 N ATOM 357 CA PHE A 22 -6.422 5.435 3.030 1.00 0.00 C ATOM 358 C PHE A 22 -5.564 6.133 1.978 1.00 0.00 C ATOM 359 O PHE A 22 -4.739 5.502 1.317 1.00 0.00 O ATOM 360 CB PHE A 22 -5.563 5.039 4.234 1.00 0.00 C ATOM 361 CG PHE A 22 -5.804 5.889 5.448 1.00 0.00 C ATOM 362 CD1 PHE A 22 -5.643 7.265 5.389 1.00 0.00 C ATOM 363 CD2 PHE A 22 -6.193 5.315 6.647 1.00 0.00 C ATOM 364 CE1 PHE A 22 -5.865 8.050 6.503 1.00 0.00 C ATOM 365 CE2 PHE A 22 -6.416 6.096 7.766 1.00 0.00 C ATOM 366 CZ PHE A 22 -6.252 7.465 7.693 1.00 0.00 C ATOM 0 H PHE A 22 -6.753 4.001 1.534 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.194 6.130 3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.762 3.997 4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.511 5.105 3.957 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.341 7.728 4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.324 4.245 6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.736 9.121 6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.718 5.636 8.695 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.426 8.078 8.565 1.00 0.00 H new ATOM 376 N VAL A 23 -5.767 7.438 1.828 1.00 0.00 N ATOM 377 CA VAL A 23 -5.016 8.223 0.855 1.00 0.00 C ATOM 378 C VAL A 23 -4.270 9.368 1.532 1.00 0.00 C ATOM 379 O VAL A 23 -4.677 9.847 2.590 1.00 0.00 O ATOM 380 CB VAL A 23 -5.941 8.799 -0.234 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.126 9.422 -1.357 1.00 0.00 C ATOM 382 CG2 VAL A 23 -6.868 7.721 -0.773 1.00 0.00 C ATOM 0 H VAL A 23 -6.446 7.974 2.368 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.296 7.549 0.390 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.553 9.582 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.798 9.823 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.510 10.227 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.485 8.663 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.514 8.147 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.276 6.914 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.480 7.328 0.039 1.00 0.00 H new ATOM 392 N LEU A 24 -3.175 9.801 0.915 1.00 0.00 N ATOM 393 CA LEU A 24 -2.371 10.891 1.458 1.00 0.00 C ATOM 394 C LEU A 24 -2.124 11.965 0.404 1.00 0.00 C ATOM 395 O LEU A 24 -1.520 11.701 -0.637 1.00 0.00 O ATOM 396 CB LEU A 24 -1.034 10.355 1.978 1.00 0.00 C ATOM 397 CG LEU A 24 -0.115 11.404 2.604 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.519 11.676 4.044 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.336 10.951 2.531 1.00 0.00 C ATOM 0 H LEU A 24 -2.824 9.414 0.039 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.923 11.339 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.234 9.581 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.506 9.878 1.153 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.215 12.331 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.146 12.425 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.545 12.044 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.449 10.754 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.977 11.709 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.451 10.011 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.620 10.808 1.489 1.00 0.00 H new ATOM 411 N THR A 25 -2.594 13.178 0.681 1.00 0.00 N ATOM 412 CA THR A 25 -2.421 14.292 -0.244 1.00 0.00 C ATOM 413 C THR A 25 -1.255 15.178 0.185 1.00 0.00 C ATOM 414 O THR A 25 -0.894 15.223 1.360 1.00 0.00 O ATOM 415 CB THR A 25 -3.706 15.120 -0.331 1.00 0.00 C ATOM 416 OG1 THR A 25 -3.857 15.935 0.817 1.00 0.00 O ATOM 417 CG2 THR A 25 -4.955 14.275 -0.461 1.00 0.00 C ATOM 0 H THR A 25 -3.096 13.414 1.537 1.00 0.00 H new ATOM 0 HA THR A 25 -2.199 13.882 -1.229 1.00 0.00 H new ATOM 0 HB THR A 25 -3.599 15.724 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.851 16.878 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.829 14.924 -0.518 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.893 13.670 -1.366 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.044 13.621 0.407 1.00 0.00 H new ATOM 425 N SER A 26 -0.665 15.873 -0.782 1.00 0.00 N ATOM 426 CA SER A 26 0.469 16.753 -0.519 1.00 0.00 C ATOM 427 C SER A 26 0.154 17.775 0.572 1.00 0.00 C ATOM 428 O SER A 26 1.056 18.273 1.242 1.00 0.00 O ATOM 429 CB SER A 26 0.883 17.476 -1.801 1.00 0.00 C ATOM 430 OG SER A 26 0.748 16.630 -2.930 1.00 0.00 O ATOM 0 H SER A 26 -0.955 15.844 -1.760 1.00 0.00 H new ATOM 0 HA SER A 26 1.292 16.131 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.269 18.367 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.917 17.811 -1.715 1.00 0.00 H new ATOM 0 HG SER A 26 1.017 17.116 -3.737 1.00 0.00 H new ATOM 436 N SER A 27 -1.126 18.093 0.743 1.00 0.00 N ATOM 437 CA SER A 27 -1.534 19.064 1.751 1.00 0.00 C ATOM 438 C SER A 27 -2.761 18.592 2.524 1.00 0.00 C ATOM 439 O SER A 27 -3.613 19.397 2.900 1.00 0.00 O ATOM 440 CB SER A 27 -1.823 20.417 1.094 1.00 0.00 C ATOM 441 OG SER A 27 -2.640 20.263 -0.053 1.00 0.00 O ATOM 0 H SER A 27 -1.893 17.695 0.201 1.00 0.00 H new ATOM 0 HA SER A 27 -0.712 19.170 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.316 21.074 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.885 20.897 0.814 1.00 0.00 H new ATOM 0 HG SER A 27 -2.811 21.141 -0.453 1.00 0.00 H new ATOM 447 N LYS A 28 -2.847 17.285 2.764 1.00 0.00 N ATOM 448 CA LYS A 28 -3.976 16.718 3.503 1.00 0.00 C ATOM 449 C LYS A 28 -3.957 15.193 3.451 1.00 0.00 C ATOM 450 O LYS A 28 -3.104 14.592 2.798 1.00 0.00 O ATOM 451 CB LYS A 28 -5.303 17.241 2.942 1.00 0.00 C ATOM 452 CG LYS A 28 -6.105 18.054 3.946 1.00 0.00 C ATOM 453 CD LYS A 28 -7.070 19.002 3.249 1.00 0.00 C ATOM 454 CE LYS A 28 -7.616 20.045 4.213 1.00 0.00 C ATOM 455 NZ LYS A 28 -9.026 20.403 3.901 1.00 0.00 N ATOM 0 H LYS A 28 -2.154 16.601 2.460 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.882 17.029 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.101 17.857 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.905 16.397 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.661 17.382 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.426 18.625 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.562 19.499 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.895 18.433 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.555 19.665 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.996 20.940 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.361 21.116 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.081 20.790 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.623 19.554 3.968 1.00 0.00 H new ATOM 469 N ILE A 29 -4.911 14.578 4.144 1.00 0.00 N ATOM 470 CA ILE A 29 -5.017 13.123 4.183 1.00 0.00 C ATOM 471 C ILE A 29 -6.476 12.687 4.118 1.00 0.00 C ATOM 472 O ILE A 29 -7.320 13.207 4.847 1.00 0.00 O ATOM 473 CB ILE A 29 -4.375 12.537 5.456 1.00 0.00 C ATOM 474 CG1 ILE A 29 -3.174 13.381 5.894 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.957 11.092 5.218 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.417 12.799 7.069 1.00 0.00 C ATOM 0 H ILE A 29 -5.623 15.066 4.687 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.479 12.743 3.314 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.114 12.557 6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.491 13.490 5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.520 14.381 6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.505 10.690 6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.833 10.499 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.234 11.052 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.581 13.451 7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.085 12.716 7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.040 11.811 6.805 1.00 0.00 H new ATOM 488 N TYR A 30 -6.769 11.732 3.241 1.00 0.00 N ATOM 489 CA TYR A 30 -8.130 11.234 3.084 1.00 0.00 C ATOM 490 C TYR A 30 -8.252 9.805 3.608 1.00 0.00 C ATOM 491 O TYR A 30 -7.327 9.004 3.477 1.00 0.00 O ATOM 492 CB TYR A 30 -8.548 11.287 1.614 1.00 0.00 C ATOM 493 CG TYR A 30 -8.962 12.667 1.151 1.00 0.00 C ATOM 494 CD1 TYR A 30 -10.221 13.173 1.451 1.00 0.00 C ATOM 495 CD2 TYR A 30 -8.094 13.462 0.414 1.00 0.00 C ATOM 496 CE1 TYR A 30 -10.602 14.432 1.030 1.00 0.00 C ATOM 497 CE2 TYR A 30 -8.467 14.722 -0.012 1.00 0.00 C ATOM 498 CZ TYR A 30 -9.723 15.203 0.298 1.00 0.00 C ATOM 499 OH TYR A 30 -10.099 16.458 -0.123 1.00 0.00 O ATOM 0 H TYR A 30 -6.083 11.289 2.630 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.793 11.873 3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.720 10.939 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.376 10.596 1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.913 12.572 2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.110 13.089 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.584 14.811 1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.780 15.327 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.364 16.868 -0.625 1.00 0.00 H new ATOM 509 N TYR A 31 -9.400 9.496 4.200 1.00 0.00 N ATOM 510 CA TYR A 31 -9.649 8.166 4.742 1.00 0.00 C ATOM 511 C TYR A 31 -11.077 7.718 4.448 1.00 0.00 C ATOM 512 O TYR A 31 -12.034 8.452 4.697 1.00 0.00 O ATOM 513 CB TYR A 31 -9.388 8.152 6.252 1.00 0.00 C ATOM 514 CG TYR A 31 -9.752 6.845 6.923 1.00 0.00 C ATOM 515 CD1 TYR A 31 -9.184 5.647 6.508 1.00 0.00 C ATOM 516 CD2 TYR A 31 -10.661 6.812 7.973 1.00 0.00 C ATOM 517 CE1 TYR A 31 -9.514 4.452 7.119 1.00 0.00 C ATOM 518 CE2 TYR A 31 -10.995 5.621 8.590 1.00 0.00 C ATOM 519 CZ TYR A 31 -10.419 4.444 8.159 1.00 0.00 C ATOM 520 OH TYR A 31 -10.749 3.257 8.771 1.00 0.00 O ATOM 0 H TYR A 31 -10.174 10.150 4.317 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.966 7.467 4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.333 8.360 6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.955 8.959 6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.473 5.650 5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.114 7.732 8.313 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.065 3.529 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.703 5.612 9.405 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.054 2.591 8.589 1.00 0.00 H new ATOM 530 N SER A 32 -11.212 6.508 3.914 1.00 0.00 N ATOM 531 CA SER A 32 -12.523 5.961 3.584 1.00 0.00 C ATOM 532 C SER A 32 -12.631 4.507 4.032 1.00 0.00 C ATOM 533 O SER A 32 -11.681 3.941 4.574 1.00 0.00 O ATOM 534 CB SER A 32 -12.778 6.063 2.079 1.00 0.00 C ATOM 535 OG SER A 32 -14.115 6.450 1.814 1.00 0.00 O ATOM 0 H SER A 32 -10.430 5.888 3.701 1.00 0.00 H new ATOM 0 HA SER A 32 -13.277 6.544 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.092 6.787 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.574 5.102 1.606 1.00 0.00 H new ATOM 0 HG SER A 32 -14.252 6.510 0.846 1.00 0.00 H new ATOM 1396 N GLY A 91 -13.366 10.738 5.732 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.060 10.907 6.339 1.00 0.00 C ATOM 1398 C GLY A 91 -11.283 12.066 5.745 1.00 0.00 C ATOM 1399 O GLY A 91 -11.085 12.133 4.532 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.180 11.067 7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.485 9.989 6.216 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.841 12.977 6.605 1.00 0.00 N ATOM 1404 CA VAL A 92 -10.078 14.140 6.165 1.00 0.00 C ATOM 1405 C VAL A 92 -9.252 14.715 7.312 1.00 0.00 C ATOM 1406 O VAL A 92 -9.765 14.935 8.409 1.00 0.00 O ATOM 1407 CB VAL A 92 -11.003 15.240 5.604 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -11.972 15.724 6.673 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -10.186 16.398 5.051 1.00 0.00 C ATOM 0 H VAL A 92 -10.998 12.933 7.612 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.410 13.804 5.372 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.585 14.814 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.615 16.499 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.584 14.889 7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.412 16.131 7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.857 17.163 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.574 16.824 5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.541 16.038 4.250 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.969 14.953 7.053 1.00 0.00 N ATOM 1420 CA LEU A 93 -7.075 15.498 8.069 1.00 0.00 C ATOM 1421 C LEU A 93 -5.993 16.371 7.438 1.00 0.00 C ATOM 1422 O LEU A 93 -5.588 16.148 6.297 1.00 0.00 O ATOM 1423 CB LEU A 93 -6.432 14.364 8.871 1.00 0.00 C ATOM 1424 CG LEU A 93 -6.392 14.581 10.383 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.044 13.285 11.099 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -5.393 15.674 10.739 1.00 0.00 C ATOM 0 H LEU A 93 -7.527 14.777 6.151 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.667 16.120 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.975 13.442 8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.413 14.220 8.513 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.381 14.900 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.020 13.459 12.175 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.796 12.530 10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.066 12.937 10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.378 15.815 11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.399 15.384 10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.686 16.606 10.256 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.529 17.362 8.193 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.491 18.269 7.715 1.00 0.00 C ATOM 1440 C ASP A 94 -3.109 17.645 7.885 1.00 0.00 C ATOM 1441 O ASP A 94 -2.756 17.182 8.969 1.00 0.00 O ATOM 1442 CB ASP A 94 -4.564 19.599 8.469 1.00 0.00 C ATOM 1443 CG ASP A 94 -5.147 20.712 7.621 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -6.346 20.632 7.278 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -4.407 21.666 7.301 1.00 0.00 O ATOM 0 H ASP A 94 -5.856 17.558 9.139 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.658 18.453 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.171 19.473 9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.564 19.882 8.798 1.00 0.00 H new ATOM 1450 N VAL A 95 -2.334 17.629 6.805 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.993 17.054 6.839 1.00 0.00 C ATOM 1452 C VAL A 95 -0.004 17.916 7.632 1.00 0.00 C ATOM 1453 O VAL A 95 0.909 17.381 8.260 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.437 16.806 5.418 1.00 0.00 C ATOM 1455 CG1 VAL A 95 -0.152 18.116 4.695 1.00 0.00 C ATOM 1456 CG2 VAL A 95 0.814 15.942 5.482 1.00 0.00 C ATOM 0 H VAL A 95 -2.610 18.006 5.898 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.096 16.097 7.350 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.199 16.275 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.238 17.905 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.073 18.692 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.584 18.690 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.194 15.776 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.575 16.447 6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.571 14.983 5.940 1.00 0.00 H new ATOM 1466 N PRO A 96 -0.152 19.259 7.624 1.00 0.00 N ATOM 1467 CA PRO A 96 0.755 20.149 8.354 1.00 0.00 C ATOM 1468 C PRO A 96 0.519 20.111 9.864 1.00 0.00 C ATOM 1469 O PRO A 96 0.272 21.143 10.489 1.00 0.00 O ATOM 1470 CB PRO A 96 0.436 21.549 7.796 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.499 21.329 6.649 1.00 0.00 C ATOM 1472 CD PRO A 96 -1.188 20.024 6.918 1.00 0.00 C ATOM 0 HA PRO A 96 1.796 19.855 8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.022 22.178 8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.344 22.055 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.221 22.142 6.573 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.044 21.296 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.082 20.155 7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.499 19.532 5.997 1.00 0.00 H new ATOM 1480 N ALA A 97 0.601 18.916 10.445 1.00 0.00 N ATOM 1481 CA ALA A 97 0.399 18.742 11.882 1.00 0.00 C ATOM 1482 C ALA A 97 0.306 17.263 12.245 1.00 0.00 C ATOM 1483 O ALA A 97 -0.728 16.794 12.720 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.856 19.476 12.339 1.00 0.00 C ATOM 0 H ALA A 97 0.806 18.053 9.942 1.00 0.00 H new ATOM 0 HA ALA A 97 1.261 19.168 12.396 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.990 19.335 13.412 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.755 20.540 12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.723 19.079 11.810 1.00 0.00 H new ATOM 1490 N CYS A 98 1.392 16.532 12.018 1.00 0.00 N ATOM 1491 CA CYS A 98 1.427 15.105 12.323 1.00 0.00 C ATOM 1492 C CYS A 98 2.819 14.673 12.773 1.00 0.00 C ATOM 1493 O CYS A 98 3.787 15.420 12.638 1.00 0.00 O ATOM 1494 CB CYS A 98 0.999 14.292 11.101 1.00 0.00 C ATOM 1495 SG CYS A 98 -0.771 14.374 10.743 1.00 0.00 S ATOM 0 H CYS A 98 2.258 16.902 11.625 1.00 0.00 H new ATOM 0 HA CYS A 98 0.730 14.919 13.140 1.00 0.00 H new ATOM 0 HB2 CYS A 98 1.552 14.646 10.231 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.280 13.250 11.255 1.00 0.00 H new ATOM 0 HG CYS A 98 -1.304 15.352 11.413 1.00 0.00 H new ATOM 1501 N GLN A 99 2.907 13.459 13.307 1.00 0.00 N ATOM 1502 CA GLN A 99 4.177 12.917 13.776 1.00 0.00 C ATOM 1503 C GLN A 99 4.159 11.392 13.732 1.00 0.00 C ATOM 1504 O GLN A 99 3.616 10.742 14.624 1.00 0.00 O ATOM 1505 CB GLN A 99 4.465 13.396 15.200 1.00 0.00 C ATOM 1506 CG GLN A 99 5.928 13.272 15.600 1.00 0.00 C ATOM 1507 CD GLN A 99 6.172 12.139 16.577 1.00 0.00 C ATOM 1508 OE1 GLN A 99 5.726 12.186 17.724 1.00 0.00 O ATOM 1509 NE2 GLN A 99 6.885 11.113 16.129 1.00 0.00 N ATOM 0 H GLN A 99 2.112 12.831 13.426 1.00 0.00 H new ATOM 0 HA GLN A 99 4.967 13.275 13.116 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.159 14.438 15.293 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.856 12.821 15.898 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.533 13.113 14.707 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.259 14.209 16.047 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.235 11.115 15.171 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.082 10.323 16.743 1.00 0.00 H new ATOM 1518 N ILE A 100 4.753 10.830 12.685 1.00 0.00 N ATOM 1519 CA ILE A 100 4.801 9.381 12.522 1.00 0.00 C ATOM 1520 C ILE A 100 5.841 8.756 13.444 1.00 0.00 C ATOM 1521 O ILE A 100 6.762 9.429 13.908 1.00 0.00 O ATOM 1522 CB ILE A 100 5.120 8.984 11.067 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.356 9.874 10.083 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.783 7.519 10.834 1.00 0.00 C ATOM 1525 CD1 ILE A 100 2.854 9.820 10.262 1.00 0.00 C ATOM 0 H ILE A 100 5.207 11.354 11.937 1.00 0.00 H new ATOM 0 HA ILE A 100 3.812 9.005 12.784 1.00 0.00 H new ATOM 0 HB ILE A 100 6.187 9.127 10.897 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.691 10.904 10.201 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.604 9.573 9.065 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.013 7.252 9.803 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.372 6.898 11.509 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.722 7.355 11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.377 10.474 9.532 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.507 8.797 10.115 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.595 10.149 11.268 1.00 0.00 H new ATOM 1537 N ALA A 101 5.688 7.462 13.703 1.00 0.00 N ATOM 1538 CA ALA A 101 6.613 6.737 14.567 1.00 0.00 C ATOM 1539 C ALA A 101 6.626 5.252 14.225 1.00 0.00 C ATOM 1540 O ALA A 101 5.872 4.466 14.798 1.00 0.00 O ATOM 1541 CB ALA A 101 6.241 6.943 16.028 1.00 0.00 C ATOM 0 H ALA A 101 4.930 6.892 13.326 1.00 0.00 H new ATOM 0 HA ALA A 101 7.616 7.131 14.402 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.939 6.396 16.662 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.287 8.005 16.269 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.230 6.575 16.201 1.00 0.00 H new ATOM 1547 N ILE A 102 7.485 4.874 13.283 1.00 0.00 N ATOM 1548 CA ILE A 102 7.591 3.482 12.863 1.00 0.00 C ATOM 1549 C ILE A 102 7.941 2.573 14.036 1.00 0.00 C ATOM 1550 O ILE A 102 8.519 3.011 15.031 1.00 0.00 O ATOM 1551 CB ILE A 102 8.653 3.303 11.757 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.286 4.137 10.529 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.794 1.830 11.381 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.479 4.786 9.862 1.00 0.00 C ATOM 0 H ILE A 102 8.116 5.511 12.797 1.00 0.00 H new ATOM 0 HA ILE A 102 6.614 3.201 12.469 1.00 0.00 H new ATOM 0 HB ILE A 102 9.612 3.651 12.139 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.777 3.500 9.806 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.579 4.912 10.824 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.547 1.724 10.600 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.098 1.258 12.258 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.838 1.454 11.016 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.145 5.361 8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.976 5.449 10.570 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.177 4.015 9.536 1.00 0.00 H new ATOM 1566 N ARG A 103 7.592 1.300 13.899 1.00 0.00 N ATOM 1567 CA ARG A 103 7.867 0.308 14.928 1.00 0.00 C ATOM 1568 C ARG A 103 8.169 -1.043 14.286 1.00 0.00 C ATOM 1569 O ARG A 103 7.379 -1.543 13.485 1.00 0.00 O ATOM 1570 CB ARG A 103 6.678 0.182 15.883 1.00 0.00 C ATOM 1571 CG ARG A 103 6.799 1.054 17.124 1.00 0.00 C ATOM 1572 CD ARG A 103 5.682 0.771 18.114 1.00 0.00 C ATOM 1573 NE ARG A 103 6.061 1.124 19.481 1.00 0.00 N ATOM 1574 CZ ARG A 103 5.223 1.085 20.516 1.00 0.00 C ATOM 1575 NH1 ARG A 103 3.963 0.711 20.344 1.00 0.00 N ATOM 1576 NH2 ARG A 103 5.650 1.421 21.726 1.00 0.00 N ATOM 0 H ARG A 103 7.114 0.929 13.078 1.00 0.00 H new ATOM 0 HA ARG A 103 8.737 0.632 15.499 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.765 0.447 15.350 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.577 -0.859 16.189 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.763 0.878 17.601 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.773 2.105 16.836 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.793 1.332 17.828 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.419 -0.286 18.072 1.00 0.00 H new ATOM 0 HE ARG A 103 7.023 1.417 19.652 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.630 0.451 19.415 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.326 0.683 21.140 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.619 1.709 21.863 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.009 1.392 22.519 1.00 0.00 H new ATOM 1590 N PRO A 104 9.321 -1.652 14.614 1.00 0.00 N ATOM 1591 CA PRO A 104 9.714 -2.943 14.049 1.00 0.00 C ATOM 1592 C PRO A 104 9.082 -4.129 14.778 1.00 0.00 C ATOM 1593 O PRO A 104 9.664 -5.212 14.835 1.00 0.00 O ATOM 1594 CB PRO A 104 11.227 -2.944 14.242 1.00 0.00 C ATOM 1595 CG PRO A 104 11.445 -2.157 15.489 1.00 0.00 C ATOM 1596 CD PRO A 104 10.338 -1.132 15.550 1.00 0.00 C ATOM 0 HA PRO A 104 9.390 -3.054 13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.614 -3.958 14.340 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.736 -2.490 13.392 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.422 -2.805 16.365 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.421 -1.673 15.476 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.939 -1.034 16.560 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.690 -0.145 15.250 1.00 0.00 H new ATOM 1604 N GLU A 105 7.888 -3.921 15.331 1.00 0.00 N ATOM 1605 CA GLU A 105 7.183 -4.975 16.051 1.00 0.00 C ATOM 1606 C GLU A 105 5.821 -4.481 16.530 1.00 0.00 C ATOM 1607 O GLU A 105 5.601 -4.296 17.728 1.00 0.00 O ATOM 1608 CB GLU A 105 8.015 -5.455 17.244 1.00 0.00 C ATOM 1609 CG GLU A 105 7.707 -6.884 17.663 1.00 0.00 C ATOM 1610 CD GLU A 105 7.575 -7.035 19.166 1.00 0.00 C ATOM 1611 OE1 GLU A 105 7.134 -6.068 19.824 1.00 0.00 O ATOM 1612 OE2 GLU A 105 7.912 -8.119 19.685 1.00 0.00 O ATOM 0 H GLU A 105 7.390 -3.031 15.293 1.00 0.00 H new ATOM 0 HA GLU A 105 7.030 -5.811 15.368 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.073 -5.378 16.993 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.839 -4.791 18.090 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.781 -7.207 17.186 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.498 -7.543 17.303 1.00 0.00 H new ATOM 1619 N GLY A 106 4.910 -4.267 15.587 1.00 0.00 N ATOM 1620 CA GLY A 106 3.581 -3.794 15.928 1.00 0.00 C ATOM 1621 C GLY A 106 2.885 -4.682 16.942 1.00 0.00 C ATOM 1622 O GLY A 106 3.065 -4.517 18.148 1.00 0.00 O ATOM 0 H GLY A 106 5.069 -4.413 14.590 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.651 -2.782 16.326 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.976 -3.740 15.023 1.00 0.00 H new ATOM 1626 N LYS A 107 2.087 -5.624 16.451 1.00 0.00 N ATOM 1627 CA LYS A 107 1.359 -6.539 17.324 1.00 0.00 C ATOM 1628 C LYS A 107 0.619 -7.597 16.509 1.00 0.00 C ATOM 1629 O LYS A 107 0.520 -7.497 15.287 1.00 0.00 O ATOM 1630 CB LYS A 107 0.366 -5.767 18.196 1.00 0.00 C ATOM 1631 CG LYS A 107 0.892 -5.456 19.588 1.00 0.00 C ATOM 1632 CD LYS A 107 0.736 -3.983 19.928 1.00 0.00 C ATOM 1633 CE LYS A 107 -0.678 -3.663 20.384 1.00 0.00 C ATOM 1634 NZ LYS A 107 -1.165 -4.629 21.407 1.00 0.00 N ATOM 0 H LYS A 107 1.928 -5.774 15.455 1.00 0.00 H new ATOM 0 HA LYS A 107 2.084 -7.040 17.966 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.107 -4.833 17.697 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.553 -6.346 18.285 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.358 -6.058 20.323 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.944 -5.735 19.651 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.442 -3.713 20.713 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.983 -3.379 19.055 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.707 -2.654 20.795 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.348 -3.676 19.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.813 -4.145 22.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.667 -5.409 20.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.356 -5.009 21.939 1.00 0.00 H new ATOM 1648 N ASN A 108 0.097 -8.608 17.201 1.00 0.00 N ATOM 1649 CA ASN A 108 -0.639 -9.684 16.547 1.00 0.00 C ATOM 1650 C ASN A 108 0.252 -10.438 15.563 1.00 0.00 C ATOM 1651 O ASN A 108 0.801 -11.491 15.892 1.00 0.00 O ATOM 1652 CB ASN A 108 -1.871 -9.125 15.830 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.164 -9.488 16.532 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -3.404 -10.653 16.852 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -4.005 -8.489 16.778 1.00 0.00 N ATOM 0 H ASN A 108 0.171 -8.703 18.214 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.966 -10.387 17.313 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -1.789 -8.040 15.765 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.897 -9.505 14.809 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.891 -8.672 17.250 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.765 -7.539 16.495 1.00 0.00 H new ATOM 1662 N ASN A 109 0.391 -9.896 14.358 1.00 0.00 N ATOM 1663 CA ASN A 109 1.216 -10.519 13.330 1.00 0.00 C ATOM 1664 C ASN A 109 1.732 -9.480 12.342 1.00 0.00 C ATOM 1665 O ASN A 109 1.924 -9.772 11.161 1.00 0.00 O ATOM 1666 CB ASN A 109 0.417 -11.595 12.589 1.00 0.00 C ATOM 1667 CG ASN A 109 1.255 -12.814 12.260 1.00 0.00 C ATOM 1668 OD1 ASN A 109 2.382 -12.696 11.779 1.00 0.00 O ATOM 1669 ND2 ASN A 109 0.708 -13.996 12.518 1.00 0.00 N ATOM 0 H ASN A 109 -0.057 -9.026 14.069 1.00 0.00 H new ATOM 0 HA ASN A 109 2.072 -10.984 13.818 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.434 -11.897 13.200 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.015 -11.175 11.667 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.225 -14.852 12.317 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.229 -14.048 12.917 1.00 0.00 H new ATOM 1676 N ARG A 110 1.956 -8.265 12.832 1.00 0.00 N ATOM 1677 CA ARG A 110 2.453 -7.181 11.991 1.00 0.00 C ATOM 1678 C ARG A 110 3.818 -6.703 12.473 1.00 0.00 C ATOM 1679 O ARG A 110 3.913 -5.801 13.305 1.00 0.00 O ATOM 1680 CB ARG A 110 1.462 -6.014 11.990 1.00 0.00 C ATOM 1681 CG ARG A 110 0.127 -6.350 11.349 1.00 0.00 C ATOM 1682 CD ARG A 110 0.149 -6.105 9.850 1.00 0.00 C ATOM 1683 NE ARG A 110 -0.557 -7.151 9.112 1.00 0.00 N ATOM 1684 CZ ARG A 110 -1.881 -7.209 8.993 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -2.647 -6.286 9.562 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -2.442 -8.193 8.303 1.00 0.00 N ATOM 0 H ARG A 110 1.801 -8.006 13.806 1.00 0.00 H new ATOM 0 HA ARG A 110 2.558 -7.560 10.975 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.291 -5.692 13.017 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.907 -5.171 11.462 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.118 -7.394 11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.658 -5.747 11.805 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.307 -5.139 9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.182 -6.054 9.506 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.002 -7.879 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.221 -5.527 10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.661 -6.336 9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.859 -8.905 7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.457 -8.238 8.212 1.00 0.00 H new ATOM 1700 N LEU A 111 4.873 -7.312 11.943 1.00 0.00 N ATOM 1701 CA LEU A 111 6.234 -6.950 12.319 1.00 0.00 C ATOM 1702 C LEU A 111 6.537 -5.505 11.934 1.00 0.00 C ATOM 1703 O LEU A 111 7.325 -4.829 12.597 1.00 0.00 O ATOM 1704 CB LEU A 111 7.239 -7.889 11.647 1.00 0.00 C ATOM 1705 CG LEU A 111 6.942 -9.380 11.815 1.00 0.00 C ATOM 1706 CD1 LEU A 111 6.204 -9.917 10.599 1.00 0.00 C ATOM 1707 CD2 LEU A 111 8.231 -10.157 12.044 1.00 0.00 C ATOM 0 H LEU A 111 4.811 -8.059 11.251 1.00 0.00 H new ATOM 0 HA LEU A 111 6.324 -7.047 13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.273 -7.658 10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.231 -7.684 12.050 1.00 0.00 H new ATOM 0 HG LEU A 111 6.303 -9.508 12.689 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.001 -10.979 10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.263 -9.380 10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.818 -9.777 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.001 -11.216 12.162 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.894 -10.022 11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.722 -9.790 12.945 1.00 0.00 H new ATOM 1719 N PHE A 112 5.911 -5.038 10.860 1.00 0.00 N ATOM 1720 CA PHE A 112 6.115 -3.674 10.389 1.00 0.00 C ATOM 1721 C PHE A 112 4.871 -2.823 10.621 1.00 0.00 C ATOM 1722 O PHE A 112 3.874 -2.955 9.910 1.00 0.00 O ATOM 1723 CB PHE A 112 6.477 -3.677 8.903 1.00 0.00 C ATOM 1724 CG PHE A 112 7.864 -4.185 8.626 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.108 -5.544 8.508 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.923 -3.303 8.486 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.383 -6.014 8.255 1.00 0.00 C ATOM 1728 CE2 PHE A 112 10.200 -3.767 8.232 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.430 -5.125 8.117 1.00 0.00 C ATOM 0 H PHE A 112 5.258 -5.584 10.299 1.00 0.00 H new ATOM 0 HA PHE A 112 6.938 -3.239 10.957 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.758 -4.293 8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.385 -2.664 8.512 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.293 -6.244 8.615 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.749 -2.241 8.576 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.560 -7.076 8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 112 11.017 -3.069 8.124 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.427 -5.490 7.920 1.00 0.00 H new ATOM 1739 N VAL A 113 4.938 -1.951 11.621 1.00 0.00 N ATOM 1740 CA VAL A 113 3.821 -1.075 11.950 1.00 0.00 C ATOM 1741 C VAL A 113 4.317 0.287 12.425 1.00 0.00 C ATOM 1742 O VAL A 113 5.287 0.377 13.177 1.00 0.00 O ATOM 1743 CB VAL A 113 2.927 -1.694 13.043 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.698 -0.829 13.287 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.521 -3.109 12.662 1.00 0.00 C ATOM 0 H VAL A 113 5.756 -1.832 12.219 1.00 0.00 H new ATOM 0 HA VAL A 113 3.235 -0.949 11.040 1.00 0.00 H new ATOM 0 HB VAL A 113 3.500 -1.739 13.969 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.081 -1.284 14.062 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.010 0.165 13.609 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.122 -0.747 12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.890 -3.530 13.445 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.968 -3.088 11.723 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.413 -3.724 12.545 1.00 0.00 H new ATOM 1755 N PHE A 114 3.647 1.345 11.979 1.00 0.00 N ATOM 1756 CA PHE A 114 4.022 2.701 12.361 1.00 0.00 C ATOM 1757 C PHE A 114 2.853 3.424 13.020 1.00 0.00 C ATOM 1758 O PHE A 114 1.727 3.388 12.521 1.00 0.00 O ATOM 1759 CB PHE A 114 4.500 3.484 11.137 1.00 0.00 C ATOM 1760 CG PHE A 114 3.468 3.590 10.050 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.283 2.554 9.149 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.684 4.725 9.931 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.334 2.648 8.149 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.732 4.825 8.932 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.559 3.785 8.040 1.00 0.00 C ATOM 0 H PHE A 114 2.843 1.289 11.354 1.00 0.00 H new ATOM 0 HA PHE A 114 4.837 2.637 13.082 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.791 4.487 11.449 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.392 3.004 10.734 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.887 1.663 9.229 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.817 5.541 10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.199 1.833 7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.125 5.715 8.850 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.818 3.861 7.258 1.00 0.00 H new ATOM 1775 N SER A 115 3.128 4.081 14.142 1.00 0.00 N ATOM 1776 CA SER A 115 2.100 4.813 14.871 1.00 0.00 C ATOM 1777 C SER A 115 2.230 6.315 14.636 1.00 0.00 C ATOM 1778 O SER A 115 3.310 6.884 14.782 1.00 0.00 O ATOM 1779 CB SER A 115 2.193 4.510 16.368 1.00 0.00 C ATOM 1780 OG SER A 115 0.906 4.412 16.951 1.00 0.00 O ATOM 0 H SER A 115 4.055 4.121 14.566 1.00 0.00 H new ATOM 0 HA SER A 115 1.128 4.488 14.501 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.736 3.577 16.520 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.762 5.295 16.866 1.00 0.00 H new ATOM 0 HG SER A 115 0.224 4.478 16.251 1.00 0.00 H new ATOM 1786 N ILE A 116 1.120 6.949 14.270 1.00 0.00 N ATOM 1787 CA ILE A 116 1.108 8.384 14.015 1.00 0.00 C ATOM 1788 C ILE A 116 0.603 9.152 15.233 1.00 0.00 C ATOM 1789 O ILE A 116 -0.069 8.590 16.098 1.00 0.00 O ATOM 1790 CB ILE A 116 0.229 8.734 12.800 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.527 7.791 11.630 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.446 10.183 12.390 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.685 7.025 11.148 1.00 0.00 C ATOM 0 H ILE A 116 0.218 6.491 14.144 1.00 0.00 H new ATOM 0 HA ILE A 116 2.136 8.676 13.803 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.817 8.608 13.081 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.934 8.371 10.801 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.298 7.082 11.932 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.182 10.416 11.530 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.183 10.839 13.220 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.493 10.334 12.126 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.400 6.378 10.319 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.080 6.418 11.963 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.450 7.726 10.814 1.00 0.00 H new ATOM 1805 N SER A 117 0.931 10.439 15.293 1.00 0.00 N ATOM 1806 CA SER A 117 0.508 11.282 16.407 1.00 0.00 C ATOM 1807 C SER A 117 0.490 12.754 16.002 1.00 0.00 C ATOM 1808 O SER A 117 0.889 13.108 14.892 1.00 0.00 O ATOM 1809 CB SER A 117 1.438 11.081 17.605 1.00 0.00 C ATOM 1810 OG SER A 117 2.790 11.303 17.244 1.00 0.00 O ATOM 0 H SER A 117 1.487 10.920 14.586 1.00 0.00 H new ATOM 0 HA SER A 117 -0.504 10.990 16.687 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.156 11.763 18.407 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.323 10.069 17.993 1.00 0.00 H new ATOM 0 HG SER A 117 2.944 10.972 16.335 1.00 0.00 H new ATOM 1816 N MET A 118 0.025 13.605 16.910 1.00 0.00 N ATOM 1817 CA MET A 118 -0.046 15.039 16.647 1.00 0.00 C ATOM 1818 C MET A 118 0.407 15.838 17.868 1.00 0.00 C ATOM 1819 O MET A 118 -0.396 16.155 18.745 1.00 0.00 O ATOM 1820 CB MET A 118 -1.471 15.441 16.262 1.00 0.00 C ATOM 1821 CG MET A 118 -2.116 14.504 15.254 1.00 0.00 C ATOM 1822 SD MET A 118 -3.041 15.381 13.978 1.00 0.00 S ATOM 1823 CE MET A 118 -4.338 16.133 14.956 1.00 0.00 C ATOM 0 H MET A 118 -0.308 13.328 17.833 1.00 0.00 H new ATOM 0 HA MET A 118 0.623 15.264 15.816 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.086 15.473 17.161 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.456 16.450 15.850 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.343 13.896 14.783 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.785 13.820 15.776 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.309 15.865 14.540 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.272 15.776 15.984 1.00 0.00 H new ATOM 0 HE3 MET A 118 -4.224 17.217 14.940 1.00 0.00 H new ATOM 1833 N PRO A 119 1.708 16.172 17.944 1.00 0.00 N ATOM 1834 CA PRO A 119 2.264 16.933 19.066 1.00 0.00 C ATOM 1835 C PRO A 119 1.929 18.421 18.996 1.00 0.00 C ATOM 1836 O PRO A 119 2.296 19.189 19.886 1.00 0.00 O ATOM 1837 CB PRO A 119 3.769 16.720 18.913 1.00 0.00 C ATOM 1838 CG PRO A 119 3.971 16.533 17.449 1.00 0.00 C ATOM 1839 CD PRO A 119 2.740 15.829 16.944 1.00 0.00 C ATOM 0 HA PRO A 119 1.859 16.602 20.022 1.00 0.00 H new ATOM 0 HB2 PRO A 119 4.331 17.576 19.285 1.00 0.00 H new ATOM 0 HB3 PRO A 119 4.106 15.849 19.475 1.00 0.00 H new ATOM 0 HG2 PRO A 119 4.104 17.492 16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.866 15.943 17.251 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.462 16.172 15.947 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.893 14.752 16.879 1.00 0.00 H new ATOM 1847 N SER A 120 1.234 18.829 17.936 1.00 0.00 N ATOM 1848 CA SER A 120 0.863 20.228 17.761 1.00 0.00 C ATOM 1849 C SER A 120 -0.637 20.433 17.965 1.00 0.00 C ATOM 1850 O SER A 120 -1.240 21.311 17.350 1.00 0.00 O ATOM 1851 CB SER A 120 1.269 20.714 16.370 1.00 0.00 C ATOM 1852 OG SER A 120 2.566 21.286 16.387 1.00 0.00 O ATOM 0 H SER A 120 0.918 18.211 17.188 1.00 0.00 H new ATOM 0 HA SER A 120 1.393 20.810 18.515 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.245 19.880 15.669 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.548 21.450 16.014 1.00 0.00 H new ATOM 0 HG SER A 120 2.802 21.587 15.485 1.00 0.00 H new ATOM 1858 N VAL A 121 -1.231 19.620 18.833 1.00 0.00 N ATOM 1859 CA VAL A 121 -2.659 19.720 19.115 1.00 0.00 C ATOM 1860 C VAL A 121 -2.993 19.090 20.468 1.00 0.00 C ATOM 1861 O VAL A 121 -3.100 19.789 21.477 1.00 0.00 O ATOM 1862 CB VAL A 121 -3.506 19.065 17.992 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -2.813 17.834 17.422 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -4.909 18.721 18.482 1.00 0.00 C ATOM 0 H VAL A 121 -0.748 18.887 19.352 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.911 20.780 19.153 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.603 19.796 17.190 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.432 17.398 16.638 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.847 18.120 17.005 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.663 17.101 18.215 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.476 18.264 17.671 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.842 18.023 19.316 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.413 19.630 18.809 1.00 0.00 H new ATOM 1874 N ALA A 122 -3.158 17.774 20.482 1.00 0.00 N ATOM 1875 CA ALA A 122 -3.481 17.057 21.709 1.00 0.00 C ATOM 1876 C ALA A 122 -2.839 15.673 21.721 1.00 0.00 C ATOM 1877 O ALA A 122 -1.943 15.388 20.927 1.00 0.00 O ATOM 1878 CB ALA A 122 -4.990 16.946 21.871 1.00 0.00 C ATOM 0 H ALA A 122 -3.073 17.181 19.657 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.077 17.621 22.550 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.219 16.408 22.791 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.425 17.944 21.916 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.408 16.406 21.022 1.00 0.00 H new ATOM 1884 N GLN A 123 -3.304 14.817 22.625 1.00 0.00 N ATOM 1885 CA GLN A 123 -2.775 13.462 22.740 1.00 0.00 C ATOM 1886 C GLN A 123 -3.470 12.523 21.758 1.00 0.00 C ATOM 1887 O GLN A 123 -4.048 11.511 22.155 1.00 0.00 O ATOM 1888 CB GLN A 123 -2.941 12.949 24.171 1.00 0.00 C ATOM 1889 CG GLN A 123 -1.948 13.546 25.153 1.00 0.00 C ATOM 1890 CD GLN A 123 -0.667 12.740 25.253 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -0.683 11.512 25.166 1.00 0.00 O ATOM 1892 NE2 GLN A 123 0.453 13.430 25.439 1.00 0.00 N ATOM 0 H GLN A 123 -4.046 15.037 23.289 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.713 13.487 22.495 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -3.953 13.170 24.512 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -2.833 11.864 24.173 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -1.709 14.565 24.847 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -2.411 13.609 26.138 1.00 0.00 H new ATOM 0 HE21 GLN A 123 0.420 14.447 25.505 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.346 12.942 25.515 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.407 12.865 20.474 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.028 12.050 19.435 1.00 0.00 C ATOM 1903 C TRP A 124 -2.981 11.220 18.700 1.00 0.00 C ATOM 1904 O TRP A 124 -2.084 11.765 18.057 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.779 12.938 18.440 1.00 0.00 C ATOM 1906 CG TRP A 124 -5.766 13.858 19.091 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -5.815 15.218 18.979 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -6.847 13.486 19.953 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -6.862 15.714 19.719 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -7.510 14.671 20.327 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -7.320 12.266 20.446 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -8.619 14.670 21.168 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -8.422 12.267 21.281 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -9.061 13.463 21.635 1.00 0.00 C ATOM 0 H TRP A 124 -2.933 13.700 20.129 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.736 11.373 19.913 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -4.058 13.530 17.877 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -5.302 12.306 17.722 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -5.131 15.816 18.395 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -7.115 16.699 19.802 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -6.833 11.340 20.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -9.113 15.590 21.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -8.797 11.330 21.667 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -9.919 13.431 22.290 1.00 0.00 H new ATOM 1925 N SER A 125 -3.103 9.902 18.798 1.00 0.00 N ATOM 1926 CA SER A 125 -2.166 8.998 18.141 1.00 0.00 C ATOM 1927 C SER A 125 -2.887 7.769 17.597 1.00 0.00 C ATOM 1928 O SER A 125 -3.772 7.215 18.252 1.00 0.00 O ATOM 1929 CB SER A 125 -1.068 8.572 19.117 1.00 0.00 C ATOM 1930 OG SER A 125 -0.839 9.572 20.096 1.00 0.00 O ATOM 0 H SER A 125 -3.841 9.435 19.325 1.00 0.00 H new ATOM 0 HA SER A 125 -1.712 9.529 17.304 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.352 7.640 19.605 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.146 8.377 18.569 1.00 0.00 H new ATOM 0 HG SER A 125 -0.134 9.275 20.708 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.504 7.348 16.396 1.00 0.00 N ATOM 1937 CA LEU A 126 -3.114 6.186 15.763 1.00 0.00 C ATOM 1938 C LEU A 126 -2.050 5.188 15.317 1.00 0.00 C ATOM 1939 O LEU A 126 -0.857 5.489 15.340 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.960 6.617 14.564 1.00 0.00 C ATOM 1941 CG LEU A 126 -3.232 7.485 13.536 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -3.743 7.193 12.133 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -3.400 8.960 13.872 1.00 0.00 C ATOM 0 H LEU A 126 -1.774 7.795 15.842 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.757 5.700 16.497 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.334 5.724 14.063 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.828 7.165 14.930 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.170 7.243 13.570 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.214 7.820 11.415 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.571 6.143 11.894 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.811 7.406 12.083 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.876 9.564 13.131 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.459 9.216 13.866 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.985 9.158 14.860 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.490 4.002 14.913 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.573 2.961 14.462 1.00 0.00 C ATOM 1957 C ASP A 127 -1.927 2.495 13.053 1.00 0.00 C ATOM 1958 O ASP A 127 -3.078 2.167 12.766 1.00 0.00 O ATOM 1959 CB ASP A 127 -1.600 1.774 15.430 1.00 0.00 C ATOM 1960 CG ASP A 127 -0.380 1.731 16.327 1.00 0.00 C ATOM 1961 OD1 ASP A 127 0.741 1.941 15.815 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -0.542 1.490 17.541 1.00 0.00 O ATOM 0 H ASP A 127 -3.475 3.737 14.888 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.567 3.381 14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -2.498 1.831 16.045 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.662 0.846 14.861 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.927 2.468 12.179 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.128 2.040 10.798 1.00 0.00 C ATOM 1969 C VAL A 128 0.051 1.208 10.309 1.00 0.00 C ATOM 1970 O VAL A 128 1.146 1.278 10.868 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.320 3.245 9.857 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.751 2.780 8.474 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.329 4.223 10.438 1.00 0.00 C ATOM 0 H VAL A 128 0.031 2.737 12.402 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.032 1.432 10.781 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.365 3.761 9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.882 3.645 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.987 2.124 8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.693 2.238 8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.451 5.067 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.288 3.722 10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.973 4.583 11.403 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.174 0.422 9.261 1.00 0.00 N ATOM 1984 CA ALA A 129 0.875 -0.423 8.703 1.00 0.00 C ATOM 1985 C ALA A 129 0.550 -0.833 7.271 1.00 0.00 C ATOM 1986 O ALA A 129 -0.616 -0.982 6.905 1.00 0.00 O ATOM 1987 CB ALA A 129 1.080 -1.653 9.573 1.00 0.00 C ATOM 0 H ALA A 129 -1.072 0.353 8.782 1.00 0.00 H new ATOM 0 HA ALA A 129 1.799 0.154 8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.866 -2.275 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.369 -1.344 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.152 -2.223 9.621 1.00 0.00 H new ATOM 1993 N ALA A 130 1.590 -1.018 6.465 1.00 0.00 N ATOM 1994 CA ALA A 130 1.420 -1.416 5.073 1.00 0.00 C ATOM 1995 C ALA A 130 1.950 -2.827 4.841 1.00 0.00 C ATOM 1996 O ALA A 130 3.032 -3.178 5.313 1.00 0.00 O ATOM 1997 CB ALA A 130 2.123 -0.426 4.152 1.00 0.00 C ATOM 0 H ALA A 130 2.561 -0.898 6.753 1.00 0.00 H new ATOM 0 HA ALA A 130 0.354 -1.413 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.988 -0.735 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.697 0.567 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.187 -0.402 4.388 1.00 0.00 H new ATOM 2003 N ASP A 131 1.184 -3.635 4.113 1.00 0.00 N ATOM 2004 CA ASP A 131 1.579 -5.010 3.822 1.00 0.00 C ATOM 2005 C ASP A 131 2.983 -5.060 3.226 1.00 0.00 C ATOM 2006 O ASP A 131 3.747 -5.988 3.489 1.00 0.00 O ATOM 2007 CB ASP A 131 0.579 -5.658 2.859 1.00 0.00 C ATOM 2008 CG ASP A 131 0.080 -6.998 3.360 1.00 0.00 C ATOM 2009 OD1 ASP A 131 -0.751 -7.013 4.292 1.00 0.00 O ATOM 2010 OD2 ASP A 131 0.521 -8.034 2.821 1.00 0.00 O ATOM 0 H ASP A 131 0.286 -3.361 3.714 1.00 0.00 H new ATOM 0 HA ASP A 131 1.583 -5.566 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.269 -4.988 2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.050 -5.790 1.885 1.00 0.00 H new ATOM 2015 N SER A 132 3.313 -4.053 2.427 1.00 0.00 N ATOM 2016 CA SER A 132 4.623 -3.974 1.794 1.00 0.00 C ATOM 2017 C SER A 132 5.587 -3.155 2.644 1.00 0.00 C ATOM 2018 O SER A 132 5.417 -1.946 2.800 1.00 0.00 O ATOM 2019 CB SER A 132 4.502 -3.356 0.400 1.00 0.00 C ATOM 2020 OG SER A 132 4.466 -4.360 -0.601 1.00 0.00 O ATOM 0 H SER A 132 2.689 -3.278 2.202 1.00 0.00 H new ATOM 0 HA SER A 132 5.017 -4.986 1.702 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.598 -2.750 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.345 -2.688 0.220 1.00 0.00 H new ATOM 0 HG SER A 132 4.387 -3.940 -1.483 1.00 0.00 H new ATOM 2026 N GLN A 133 6.602 -3.822 3.187 1.00 0.00 N ATOM 2027 CA GLN A 133 7.597 -3.153 4.017 1.00 0.00 C ATOM 2028 C GLN A 133 8.108 -1.890 3.334 1.00 0.00 C ATOM 2029 O GLN A 133 8.519 -0.935 3.993 1.00 0.00 O ATOM 2030 CB GLN A 133 8.765 -4.098 4.312 1.00 0.00 C ATOM 2031 CG GLN A 133 8.346 -5.390 4.991 1.00 0.00 C ATOM 2032 CD GLN A 133 9.199 -6.572 4.570 1.00 0.00 C ATOM 2033 OE1 GLN A 133 9.322 -6.779 3.266 1.00 0.00 O flip ATOM 2034 NE2 GLN A 133 9.742 -7.289 5.411 1.00 0.00 N flip ATOM 0 H GLN A 133 6.756 -4.823 3.067 1.00 0.00 H new ATOM 0 HA GLN A 133 7.123 -2.871 4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.273 -4.337 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.487 -3.583 4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 133 8.411 -5.266 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 133 7.302 -5.598 4.756 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.620 -7.092 6.404 1.00 0.00 H new ATOM 0 HE22 GLN A 133 10.314 -8.080 5.114 1.00 0.00 H new ATOM 2043 N GLU A 134 8.069 -1.892 2.004 1.00 0.00 N ATOM 2044 CA GLU A 134 8.519 -0.742 1.229 1.00 0.00 C ATOM 2045 C GLU A 134 7.468 0.356 1.254 1.00 0.00 C ATOM 2046 O GLU A 134 7.784 1.531 1.440 1.00 0.00 O ATOM 2047 CB GLU A 134 8.817 -1.153 -0.214 1.00 0.00 C ATOM 2048 CG GLU A 134 9.997 -0.413 -0.827 1.00 0.00 C ATOM 2049 CD GLU A 134 10.196 -0.745 -2.293 1.00 0.00 C ATOM 2050 OE1 GLU A 134 9.193 -0.766 -3.038 1.00 0.00 O ATOM 2051 OE2 GLU A 134 11.353 -0.985 -2.695 1.00 0.00 O ATOM 0 H GLU A 134 7.732 -2.674 1.443 1.00 0.00 H new ATOM 0 HA GLU A 134 9.436 -0.361 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.015 -2.224 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.931 -0.976 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.843 0.661 -0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.904 -0.662 -0.276 1.00 0.00 H new ATOM 2058 N GLU A 135 6.214 -0.037 1.079 1.00 0.00 N ATOM 2059 CA GLU A 135 5.108 0.910 1.093 1.00 0.00 C ATOM 2060 C GLU A 135 4.959 1.523 2.482 1.00 0.00 C ATOM 2061 O GLU A 135 4.551 2.676 2.623 1.00 0.00 O ATOM 2062 CB GLU A 135 3.807 0.219 0.678 1.00 0.00 C ATOM 2063 CG GLU A 135 3.307 0.640 -0.694 1.00 0.00 C ATOM 2064 CD GLU A 135 1.896 0.164 -0.972 1.00 0.00 C ATOM 2065 OE1 GLU A 135 0.951 0.729 -0.383 1.00 0.00 O ATOM 2066 OE2 GLU A 135 1.734 -0.775 -1.780 1.00 0.00 O ATOM 0 H GLU A 135 5.937 -1.007 0.925 1.00 0.00 H new ATOM 0 HA GLU A 135 5.322 1.705 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.960 -0.860 0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.037 0.436 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 135 3.342 1.727 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.977 0.245 -1.458 1.00 0.00 H new ATOM 2073 N LEU A 136 5.304 0.743 3.503 1.00 0.00 N ATOM 2074 CA LEU A 136 5.220 1.208 4.882 1.00 0.00 C ATOM 2075 C LEU A 136 6.279 2.268 5.152 1.00 0.00 C ATOM 2076 O LEU A 136 5.981 3.348 5.664 1.00 0.00 O ATOM 2077 CB LEU A 136 5.391 0.037 5.852 1.00 0.00 C ATOM 2078 CG LEU A 136 5.427 0.418 7.332 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.814 -0.684 8.183 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.855 0.704 7.774 1.00 0.00 C ATOM 0 H LEU A 136 5.644 -0.213 3.400 1.00 0.00 H new ATOM 0 HA LEU A 136 4.235 1.650 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.574 -0.667 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.315 -0.486 5.605 1.00 0.00 H new ATOM 0 HG LEU A 136 4.837 1.324 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.849 -0.395 9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.778 -0.841 7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.376 -1.607 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.862 0.974 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.468 -0.185 7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.260 1.528 7.187 1.00 0.00 H new ATOM 2092 N GLN A 137 7.517 1.954 4.795 1.00 0.00 N ATOM 2093 CA GLN A 137 8.624 2.881 4.990 1.00 0.00 C ATOM 2094 C GLN A 137 8.469 4.086 4.074 1.00 0.00 C ATOM 2095 O GLN A 137 8.787 5.214 4.453 1.00 0.00 O ATOM 2096 CB GLN A 137 9.960 2.183 4.722 1.00 0.00 C ATOM 2097 CG GLN A 137 10.369 1.213 5.817 1.00 0.00 C ATOM 2098 CD GLN A 137 10.960 1.913 7.025 1.00 0.00 C ATOM 2099 OE1 GLN A 137 10.168 2.035 8.084 1.00 0.00 O flip ATOM 2100 NE2 GLN A 137 12.114 2.339 7.007 1.00 0.00 N flip ATOM 0 H GLN A 137 7.780 1.065 4.369 1.00 0.00 H new ATOM 0 HA GLN A 137 8.612 3.222 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.896 1.645 3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.738 2.938 4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 137 9.500 0.633 6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.097 0.507 5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 137 12.687 2.223 6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 137 12.497 2.808 7.828 1.00 0.00 H new ATOM 2109 N ASP A 138 7.969 3.840 2.869 1.00 0.00 N ATOM 2110 CA ASP A 138 7.759 4.906 1.900 1.00 0.00 C ATOM 2111 C ASP A 138 6.598 5.795 2.331 1.00 0.00 C ATOM 2112 O ASP A 138 6.563 6.983 2.011 1.00 0.00 O ATOM 2113 CB ASP A 138 7.487 4.320 0.513 1.00 0.00 C ATOM 2114 CG ASP A 138 7.761 5.315 -0.598 1.00 0.00 C ATOM 2115 OD1 ASP A 138 6.866 6.135 -0.894 1.00 0.00 O ATOM 2116 OD2 ASP A 138 8.869 5.272 -1.171 1.00 0.00 O ATOM 0 H ASP A 138 7.702 2.912 2.541 1.00 0.00 H new ATOM 0 HA ASP A 138 8.664 5.512 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.108 3.436 0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.449 3.993 0.457 1.00 0.00 H new ATOM 2121 N TRP A 139 5.652 5.213 3.065 1.00 0.00 N ATOM 2122 CA TRP A 139 4.497 5.959 3.543 1.00 0.00 C ATOM 2123 C TRP A 139 4.913 6.959 4.612 1.00 0.00 C ATOM 2124 O TRP A 139 4.513 8.123 4.581 1.00 0.00 O ATOM 2125 CB TRP A 139 3.430 5.013 4.098 1.00 0.00 C ATOM 2126 CG TRP A 139 2.255 4.860 3.185 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.272 4.356 1.920 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.895 5.219 3.458 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.006 4.374 1.387 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.145 4.900 2.312 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.240 5.778 4.560 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.228 5.121 2.235 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.124 5.998 4.480 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.843 5.670 3.326 1.00 0.00 C ATOM 0 H TRP A 139 5.665 4.231 3.339 1.00 0.00 H new ATOM 0 HA TRP A 139 4.073 6.502 2.698 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.876 4.034 4.275 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.087 5.386 5.063 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.153 3.995 1.410 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.750 4.049 0.455 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.788 6.033 5.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.787 4.868 1.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.642 6.430 5.323 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.907 5.854 3.296 1.00 0.00 H new ATOM 2145 N VAL A 140 5.721 6.495 5.556 1.00 0.00 N ATOM 2146 CA VAL A 140 6.197 7.346 6.639 1.00 0.00 C ATOM 2147 C VAL A 140 7.056 8.480 6.096 1.00 0.00 C ATOM 2148 O VAL A 140 6.938 9.628 6.528 1.00 0.00 O ATOM 2149 CB VAL A 140 7.012 6.543 7.671 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.369 7.416 8.865 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.243 5.309 8.117 1.00 0.00 C ATOM 0 H VAL A 140 6.061 5.534 5.594 1.00 0.00 H new ATOM 0 HA VAL A 140 5.317 7.760 7.132 1.00 0.00 H new ATOM 0 HB VAL A 140 7.938 6.215 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.944 6.832 9.583 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.963 8.266 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.456 7.776 9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.835 4.755 8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.300 5.613 8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.042 4.674 7.254 1.00 0.00 H new ATOM 2161 N LYS A 141 7.917 8.150 5.143 1.00 0.00 N ATOM 2162 CA LYS A 141 8.796 9.139 4.535 1.00 0.00 C ATOM 2163 C LYS A 141 7.989 10.201 3.799 1.00 0.00 C ATOM 2164 O LYS A 141 8.343 11.380 3.808 1.00 0.00 O ATOM 2165 CB LYS A 141 9.779 8.462 3.575 1.00 0.00 C ATOM 2166 CG LYS A 141 11.230 8.841 3.822 1.00 0.00 C ATOM 2167 CD LYS A 141 12.145 7.629 3.761 1.00 0.00 C ATOM 2168 CE LYS A 141 12.636 7.372 2.346 1.00 0.00 C ATOM 2169 NZ LYS A 141 11.508 7.175 1.394 1.00 0.00 N ATOM 0 H LYS A 141 8.025 7.205 4.774 1.00 0.00 H new ATOM 0 HA LYS A 141 9.361 9.626 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.674 7.381 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.513 8.725 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.546 9.574 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.321 9.317 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 141 12.999 7.783 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.613 6.751 4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 141 13.247 8.212 2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.276 6.490 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 11.867 6.757 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 10.804 6.537 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 11.064 8.092 1.187 1.00 0.00 H new ATOM 2183 N LYS A 142 6.897 9.778 3.170 1.00 0.00 N ATOM 2184 CA LYS A 142 6.040 10.703 2.441 1.00 0.00 C ATOM 2185 C LYS A 142 5.384 11.683 3.401 1.00 0.00 C ATOM 2186 O LYS A 142 5.534 12.897 3.258 1.00 0.00 O ATOM 2187 CB LYS A 142 4.976 9.940 1.648 1.00 0.00 C ATOM 2188 CG LYS A 142 4.808 10.436 0.219 1.00 0.00 C ATOM 2189 CD LYS A 142 5.049 9.325 -0.791 1.00 0.00 C ATOM 2190 CE LYS A 142 6.444 9.405 -1.391 1.00 0.00 C ATOM 2191 NZ LYS A 142 6.416 9.306 -2.877 1.00 0.00 N ATOM 0 H LYS A 142 6.587 8.806 3.151 1.00 0.00 H new ATOM 0 HA LYS A 142 6.656 11.263 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.239 8.882 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 142 4.021 10.021 2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 142 3.803 10.836 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 142 5.503 11.255 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 142 4.916 8.358 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 142 4.306 9.388 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 142 6.912 10.345 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 142 7.060 8.603 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 7.386 9.365 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 5.993 8.398 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 5.849 10.086 -3.266 1.00 0.00 H new ATOM 2205 N ILE A 143 4.678 11.155 4.397 1.00 0.00 N ATOM 2206 CA ILE A 143 4.029 12.001 5.389 1.00 0.00 C ATOM 2207 C ILE A 143 5.035 12.988 5.964 1.00 0.00 C ATOM 2208 O ILE A 143 4.690 14.116 6.319 1.00 0.00 O ATOM 2209 CB ILE A 143 3.415 11.167 6.534 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.415 10.153 5.976 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.742 12.074 7.555 1.00 0.00 C ATOM 2212 CD1 ILE A 143 1.815 9.252 7.035 1.00 0.00 C ATOM 0 H ILE A 143 4.542 10.154 4.537 1.00 0.00 H new ATOM 0 HA ILE A 143 3.223 12.539 4.890 1.00 0.00 H new ATOM 0 HB ILE A 143 4.217 10.624 7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.613 10.688 5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.913 9.538 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.315 11.468 8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.478 12.760 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.950 12.644 7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.115 8.558 6.569 1.00 0.00 H new ATOM 0 HD12 ILE A 143 2.609 8.690 7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.288 9.858 7.772 1.00 0.00 H new ATOM 2224 N ARG A 144 6.293 12.555 6.035 1.00 0.00 N ATOM 2225 CA ARG A 144 7.363 13.396 6.546 1.00 0.00 C ATOM 2226 C ARG A 144 7.849 14.358 5.467 1.00 0.00 C ATOM 2227 O ARG A 144 8.321 15.454 5.769 1.00 0.00 O ATOM 2228 CB ARG A 144 8.526 12.534 7.043 1.00 0.00 C ATOM 2229 CG ARG A 144 8.330 12.004 8.453 1.00 0.00 C ATOM 2230 CD ARG A 144 9.251 10.830 8.743 1.00 0.00 C ATOM 2231 NE ARG A 144 8.982 10.231 10.047 1.00 0.00 N ATOM 2232 CZ ARG A 144 9.840 9.448 10.696 1.00 0.00 C ATOM 2233 NH1 ARG A 144 11.023 9.166 10.165 1.00 0.00 N ATOM 2234 NH2 ARG A 144 9.515 8.948 11.881 1.00 0.00 N ATOM 0 H ARG A 144 6.592 11.624 5.743 1.00 0.00 H new ATOM 0 HA ARG A 144 6.973 13.977 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.661 11.693 6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.443 13.122 7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.519 12.802 9.172 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.293 11.695 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 144 9.131 10.075 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 144 10.288 11.165 8.705 1.00 0.00 H new ATOM 0 HE ARG A 144 8.082 10.424 10.487 1.00 0.00 H new ATOM 0 HH11 ARG A 144 11.278 9.550 9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 144 11.677 8.565 10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 144 8.608 9.164 12.294 1.00 0.00 H new ATOM 0 HH22 ARG A 144 10.172 8.348 12.379 1.00 0.00 H new ATOM 2248 N GLU A 145 7.725 13.946 4.204 1.00 0.00 N ATOM 2249 CA GLU A 145 8.149 14.784 3.090 1.00 0.00 C ATOM 2250 C GLU A 145 7.185 15.948 2.895 1.00 0.00 C ATOM 2251 O GLU A 145 7.602 17.074 2.621 1.00 0.00 O ATOM 2252 CB GLU A 145 8.248 13.958 1.806 1.00 0.00 C ATOM 2253 CG GLU A 145 9.516 14.217 1.010 1.00 0.00 C ATOM 2254 CD GLU A 145 9.275 15.090 -0.206 1.00 0.00 C ATOM 2255 OE1 GLU A 145 8.158 15.038 -0.761 1.00 0.00 O ATOM 2256 OE2 GLU A 145 10.203 15.824 -0.603 1.00 0.00 O ATOM 0 H GLU A 145 7.337 13.043 3.932 1.00 0.00 H new ATOM 0 HA GLU A 145 9.135 15.187 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.199 12.899 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.384 14.175 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 145 10.254 14.695 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.940 13.265 0.691 1.00 0.00 H new ATOM 2263 N VAL A 146 5.897 15.672 3.052 1.00 0.00 N ATOM 2264 CA VAL A 146 4.876 16.701 2.908 1.00 0.00 C ATOM 2265 C VAL A 146 4.816 17.556 4.164 1.00 0.00 C ATOM 2266 O VAL A 146 4.543 18.754 4.104 1.00 0.00 O ATOM 2267 CB VAL A 146 3.486 16.092 2.641 1.00 0.00 C ATOM 2268 CG1 VAL A 146 3.405 15.544 1.225 1.00 0.00 C ATOM 2269 CG2 VAL A 146 3.170 15.008 3.659 1.00 0.00 C ATOM 0 H VAL A 146 5.535 14.746 3.279 1.00 0.00 H new ATOM 0 HA VAL A 146 5.150 17.316 2.051 1.00 0.00 H new ATOM 0 HB VAL A 146 2.741 16.881 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 146 2.416 15.118 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.580 16.350 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 146 4.161 14.770 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 146 2.184 14.591 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.919 14.218 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 146 3.180 15.436 4.661 1.00 0.00 H new ATOM 2279 N ALA A 147 5.090 16.928 5.302 1.00 0.00 N ATOM 2280 CA ALA A 147 5.085 17.624 6.579 1.00 0.00 C ATOM 2281 C ALA A 147 6.309 18.520 6.700 1.00 0.00 C ATOM 2282 O ALA A 147 6.248 19.601 7.288 1.00 0.00 O ATOM 2283 CB ALA A 147 5.048 16.623 7.721 1.00 0.00 C ATOM 0 H ALA A 147 5.319 15.936 5.364 1.00 0.00 H new ATOM 0 HA ALA A 147 4.193 18.249 6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 147 5.045 17.156 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.147 16.015 7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.926 15.979 7.669 1.00 0.00 H new ATOM 2289 N GLN A 148 7.421 18.068 6.128 1.00 0.00 N ATOM 2290 CA GLN A 148 8.661 18.832 6.163 1.00 0.00 C ATOM 2291 C GLN A 148 8.583 20.035 5.226 1.00 0.00 C ATOM 2292 O GLN A 148 9.420 20.937 5.287 1.00 0.00 O ATOM 2293 CB GLN A 148 9.844 17.943 5.773 1.00 0.00 C ATOM 2294 CG GLN A 148 11.197 18.604 5.984 1.00 0.00 C ATOM 2295 CD GLN A 148 11.955 18.017 7.160 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.826 17.165 6.989 1.00 0.00 O ATOM 2297 NE2 GLN A 148 11.627 18.475 8.362 1.00 0.00 N ATOM 0 H GLN A 148 7.488 17.177 5.635 1.00 0.00 H new ATOM 0 HA GLN A 148 8.808 19.194 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.804 17.023 6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.746 17.661 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.796 18.495 5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.054 19.673 6.145 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.898 19.182 8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.104 18.120 9.191 1.00 0.00 H new ATOM 2306 N THR A 149 7.573 20.046 4.357 1.00 0.00 N ATOM 2307 CA THR A 149 7.390 21.141 3.412 1.00 0.00 C ATOM 2308 C THR A 149 6.011 21.779 3.568 1.00 0.00 C ATOM 2309 O THR A 149 5.528 22.460 2.662 1.00 0.00 O ATOM 2310 CB THR A 149 7.571 20.638 1.979 1.00 0.00 C ATOM 2311 OG1 THR A 149 7.461 21.706 1.056 1.00 0.00 O ATOM 2312 CG2 THR A 149 6.561 19.583 1.582 1.00 0.00 C ATOM 0 H THR A 149 6.871 19.309 4.290 1.00 0.00 H new ATOM 0 HA THR A 149 8.144 21.899 3.626 1.00 0.00 H new ATOM 0 HB THR A 149 8.566 20.193 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 149 6.761 22.324 1.353 1.00 0.00 H new ATOM 0 HG21 THR A 149 6.746 19.270 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 149 6.653 18.723 2.245 1.00 0.00 H new ATOM 0 HG23 THR A 149 5.555 19.995 1.660 1.00 0.00 H new ATOM 2320 N ALA A 150 5.380 21.555 4.717 1.00 0.00 N ATOM 2321 CA ALA A 150 4.060 22.111 4.985 1.00 0.00 C ATOM 2322 C ALA A 150 3.917 22.504 6.451 1.00 0.00 C ATOM 2323 O ALA A 150 4.030 21.611 7.316 1.00 0.00 O ATOM 2324 CB ALA A 150 2.979 21.114 4.596 1.00 0.00 C ATOM 2325 OXT ALA A 150 3.694 23.702 6.722 1.00 0.00 O ATOM 0 H ALA A 150 5.763 20.992 5.477 1.00 0.00 H new ATOM 0 HA ALA A 150 3.943 23.011 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 150 1.998 21.542 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 150 3.060 20.886 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.103 20.198 5.174 1.00 0.00 H new