USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 811 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 39 LYS NZ :NH3+ -95:sc= 1.05 (180deg=0) USER MOD Set 1.2: A 109 THR OG1 : rot 26:sc= 1.01 USER MOD Set 2.1: A 47 GLN : amide:sc= -1.36 X(o=-2.2,f=-2.4!) USER MOD Set 2.2: A 103 ASN : amide:sc= -0.807 K(o=-2.2,f=-2.9) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 138:sc= -0.265 (180deg=-0.907) USER MOD Set 3.2: A 100 GLN : amide:sc= -0.0655 K(o=-0.33,f=-2.2) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.706 K(o=0.71,f=-0.2) USER MOD Single : A 25 ASN : amide:sc= -0.223 K(o=-0.22,f=-0.72) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0715 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.265) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.431 USER MOD Single : A 58 THR OG1 : rot 39:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.00532 K(o=-0.0053,f=-0.81) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.12 K(o=-3.1,f=-13!) USER MOD Single : A 83 SER OG : rot 23:sc= 0.161 USER MOD Single : A 92 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.22) USER MOD Single : A 102 MET CE :methyl -162:sc= -0.801 (180deg=-1.86!) USER MOD Single : A 105 ASN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.67) USER MOD Single : A 111 SER OG : rot 46:sc= 0.995 USER MOD Single : A 112 ASN : amide:sc= -1.93 K(o=-1.9,f=-9.5!) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 4.361 -8.818 -13.562 1.00 0.00 N ATOM 2 CA ALA A 21 4.419 -8.393 -14.992 1.00 0.00 C ATOM 3 C ALA A 21 5.016 -6.996 -15.124 1.00 0.00 C ATOM 4 O ALA A 21 5.826 -6.738 -16.006 1.00 0.00 O ATOM 5 CB ALA A 21 3.030 -8.432 -15.602 1.00 0.00 C ATOM 0 HA ALA A 21 5.064 -9.088 -15.530 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.082 -8.120 -16.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.636 -9.447 -15.546 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.373 -7.757 -15.054 1.00 0.00 H new ATOM 13 N MET A 22 4.610 -6.097 -14.232 1.00 0.00 N ATOM 14 CA MET A 22 5.105 -4.726 -14.248 1.00 0.00 C ATOM 15 C MET A 22 5.356 -4.220 -12.823 1.00 0.00 C ATOM 16 O MET A 22 4.793 -4.740 -11.868 1.00 0.00 O ATOM 17 CB MET A 22 4.108 -3.810 -14.953 1.00 0.00 C ATOM 18 CG MET A 22 3.769 -4.261 -16.372 1.00 0.00 C ATOM 19 SD MET A 22 2.918 -2.987 -17.314 1.00 0.00 S ATOM 20 CE MET A 22 1.224 -3.252 -16.804 1.00 0.00 C ATOM 0 H MET A 22 3.939 -6.294 -13.489 1.00 0.00 H new ATOM 0 HA MET A 22 6.049 -4.714 -14.793 1.00 0.00 H new ATOM 0 HB2 MET A 22 3.191 -3.763 -14.366 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.516 -2.800 -14.988 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.686 -4.540 -16.890 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.145 -5.153 -16.327 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.576 -2.534 -17.307 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.918 -4.264 -17.069 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.144 -3.120 -15.725 1.00 0.00 H new ATOM 30 N ALA A 23 6.204 -3.203 -12.712 1.00 0.00 N ATOM 31 CA ALA A 23 6.529 -2.628 -11.406 1.00 0.00 C ATOM 32 C ALA A 23 7.466 -1.432 -11.555 1.00 0.00 C ATOM 33 O ALA A 23 7.897 -1.103 -12.659 1.00 0.00 O ATOM 34 CB ALA A 23 7.157 -3.679 -10.503 1.00 0.00 C ATOM 0 H ALA A 23 6.676 -2.761 -13.501 1.00 0.00 H new ATOM 0 HA ALA A 23 5.602 -2.282 -10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.392 -3.234 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.458 -4.503 -10.363 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.072 -4.054 -10.962 1.00 0.00 H new ATOM 40 N GLN A 24 7.776 -0.789 -10.434 1.00 0.00 N ATOM 41 CA GLN A 24 8.664 0.370 -10.438 1.00 0.00 C ATOM 42 C GLN A 24 9.616 0.331 -9.249 1.00 0.00 C ATOM 43 O GLN A 24 9.360 -0.346 -8.254 1.00 0.00 O ATOM 44 CB GLN A 24 7.866 1.677 -10.419 1.00 0.00 C ATOM 45 CG GLN A 24 6.522 1.580 -9.709 1.00 0.00 C ATOM 46 CD GLN A 24 5.348 1.746 -10.655 1.00 0.00 C ATOM 47 OE1 GLN A 24 5.325 2.660 -11.479 1.00 0.00 O ATOM 48 NE2 GLN A 24 4.365 0.860 -10.541 1.00 0.00 N ATOM 0 H GLN A 24 7.426 -1.050 -9.512 1.00 0.00 H new ATOM 0 HA GLN A 24 9.247 0.331 -11.358 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.465 2.448 -9.934 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.699 2.002 -11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.448 0.614 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.469 2.344 -8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.425 0.118 -9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.550 0.922 -11.151 1.00 0.00 H new ATOM 57 N ASN A 25 10.716 1.066 -9.363 1.00 0.00 N ATOM 58 CA ASN A 25 11.713 1.122 -8.299 1.00 0.00 C ATOM 59 C ASN A 25 11.774 2.517 -7.686 1.00 0.00 C ATOM 60 O ASN A 25 12.177 3.478 -8.341 1.00 0.00 O ATOM 61 CB ASN A 25 13.088 0.729 -8.839 1.00 0.00 C ATOM 62 CG ASN A 25 13.433 1.451 -10.127 1.00 0.00 C ATOM 63 OD1 ASN A 25 12.946 1.095 -11.201 1.00 0.00 O ATOM 64 ND2 ASN A 25 14.276 2.473 -10.027 1.00 0.00 N ATOM 0 H ASN A 25 10.941 1.632 -10.181 1.00 0.00 H new ATOM 0 HA ASN A 25 11.421 0.415 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.847 0.950 -8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.113 -0.347 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.543 2.997 -10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.656 2.734 -9.117 1.00 0.00 H new ATOM 71 N ILE A 26 11.371 2.620 -6.423 1.00 0.00 N ATOM 72 CA ILE A 26 11.381 3.897 -5.728 1.00 0.00 C ATOM 73 C ILE A 26 12.336 3.861 -4.531 1.00 0.00 C ATOM 74 O ILE A 26 12.383 2.881 -3.796 1.00 0.00 O ATOM 75 CB ILE A 26 9.971 4.275 -5.222 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.960 4.187 -6.366 1.00 0.00 C ATOM 77 CG2 ILE A 26 9.978 5.674 -4.622 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.576 3.771 -5.928 1.00 0.00 C ATOM 0 H ILE A 26 11.035 1.836 -5.864 1.00 0.00 H new ATOM 0 HA ILE A 26 11.718 4.645 -6.446 1.00 0.00 H new ATOM 0 HB ILE A 26 9.678 3.570 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.898 5.157 -6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.325 3.476 -7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.977 5.924 -4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.675 5.707 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.287 6.394 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.917 3.731 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.622 2.787 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.189 4.494 -5.210 1.00 0.00 H new ATOM 90 N THR A 27 13.098 4.935 -4.361 1.00 0.00 N ATOM 91 CA THR A 27 14.054 5.028 -3.272 1.00 0.00 C ATOM 92 C THR A 27 13.403 5.627 -2.021 1.00 0.00 C ATOM 93 O THR A 27 12.606 6.561 -2.114 1.00 0.00 O ATOM 94 CB THR A 27 15.262 5.871 -3.688 1.00 0.00 C ATOM 95 OG1 THR A 27 14.921 6.749 -4.738 1.00 0.00 O ATOM 96 CG2 THR A 27 16.443 5.039 -4.134 1.00 0.00 C ATOM 0 H THR A 27 13.070 5.755 -4.967 1.00 0.00 H new ATOM 0 HA THR A 27 14.392 4.019 -3.036 1.00 0.00 H new ATOM 0 HB THR A 27 15.552 6.427 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.706 7.280 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.266 5.696 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.760 4.390 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.156 4.430 -4.991 1.00 0.00 H new ATOM 104 N ALA A 28 13.747 5.082 -0.868 1.00 0.00 N ATOM 105 CA ALA A 28 13.197 5.560 0.386 1.00 0.00 C ATOM 106 C ALA A 28 14.271 5.613 1.476 1.00 0.00 C ATOM 107 O ALA A 28 15.329 4.995 1.338 1.00 0.00 O ATOM 108 CB ALA A 28 12.044 4.671 0.830 1.00 0.00 C ATOM 0 H ALA A 28 14.405 4.308 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 28 12.825 6.572 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.641 5.042 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.262 4.683 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.402 3.651 0.965 1.00 0.00 H new ATOM 114 N ARG A 29 13.995 6.356 2.534 1.00 0.00 N ATOM 115 CA ARG A 29 14.939 6.492 3.638 1.00 0.00 C ATOM 116 C ARG A 29 14.348 5.932 4.930 1.00 0.00 C ATOM 117 O ARG A 29 13.207 6.229 5.283 1.00 0.00 O ATOM 118 CB ARG A 29 15.323 7.960 3.829 1.00 0.00 C ATOM 119 CG ARG A 29 16.440 8.171 4.837 1.00 0.00 C ATOM 120 CD ARG A 29 16.268 9.479 5.594 1.00 0.00 C ATOM 121 NE ARG A 29 16.445 9.303 7.034 1.00 0.00 N ATOM 122 CZ ARG A 29 16.511 10.310 7.901 1.00 0.00 C ATOM 123 NH1 ARG A 29 16.417 11.565 7.481 1.00 0.00 N ATOM 124 NH2 ARG A 29 16.674 10.061 9.194 1.00 0.00 N ATOM 0 H ARG A 29 13.126 6.876 2.655 1.00 0.00 H new ATOM 0 HA ARG A 29 15.834 5.920 3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.629 8.375 2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.444 8.518 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.456 7.340 5.543 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.401 8.171 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.989 10.209 5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.276 9.885 5.397 1.00 0.00 H new ATOM 0 HE ARG A 29 16.522 8.352 7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.293 11.763 6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.468 12.332 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.749 9.098 9.523 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.725 10.832 9.859 1.00 0.00 H new ATOM 138 N ILE A 30 15.132 5.115 5.636 1.00 0.00 N ATOM 139 CA ILE A 30 14.687 4.507 6.879 1.00 0.00 C ATOM 140 C ILE A 30 14.241 5.560 7.890 1.00 0.00 C ATOM 141 O ILE A 30 14.963 6.521 8.161 1.00 0.00 O ATOM 142 CB ILE A 30 15.792 3.639 7.528 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.163 4.306 7.376 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.802 2.250 6.899 1.00 0.00 C ATOM 145 CD1 ILE A 30 18.009 4.239 8.628 1.00 0.00 C ATOM 0 H ILE A 30 16.081 4.862 5.362 1.00 0.00 H new ATOM 0 HA ILE A 30 13.842 3.871 6.616 1.00 0.00 H new ATOM 0 HB ILE A 30 15.578 3.542 8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.702 3.829 6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.021 5.350 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.583 1.647 7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.834 1.773 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.996 2.336 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.965 4.730 8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.491 4.742 9.445 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.182 3.196 8.895 1.00 0.00 H new ATOM 157 N GLY A 31 13.049 5.369 8.456 1.00 0.00 N ATOM 158 CA GLY A 31 12.525 6.302 9.429 1.00 0.00 C ATOM 159 C GLY A 31 12.056 7.611 8.817 1.00 0.00 C ATOM 160 O GLY A 31 11.694 8.541 9.537 1.00 0.00 O ATOM 0 H GLY A 31 12.438 4.578 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.692 5.837 9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.295 6.512 10.172 1.00 0.00 H new ATOM 164 N GLU A 32 12.062 7.689 7.490 1.00 0.00 N ATOM 165 CA GLU A 32 11.634 8.899 6.797 1.00 0.00 C ATOM 166 C GLU A 32 10.180 8.787 6.348 1.00 0.00 C ATOM 167 O GLU A 32 9.815 7.835 5.651 1.00 0.00 O ATOM 168 CB GLU A 32 12.536 9.164 5.591 1.00 0.00 C ATOM 169 CG GLU A 32 12.406 10.571 5.040 1.00 0.00 C ATOM 170 CD GLU A 32 13.059 11.615 5.918 1.00 0.00 C ATOM 171 OE1 GLU A 32 13.961 11.249 6.708 1.00 0.00 O ATOM 172 OE2 GLU A 32 12.666 12.796 5.830 1.00 0.00 O ATOM 0 H GLU A 32 12.358 6.931 6.875 1.00 0.00 H new ATOM 0 HA GLU A 32 11.714 9.734 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.573 8.988 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.296 8.450 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.854 10.609 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.350 10.813 4.923 1.00 0.00 H new ATOM 179 N PRO A 33 9.324 9.760 6.711 1.00 0.00 N ATOM 180 CA PRO A 33 7.910 9.752 6.321 1.00 0.00 C ATOM 181 C PRO A 33 7.737 9.844 4.807 1.00 0.00 C ATOM 182 O PRO A 33 8.524 10.500 4.132 1.00 0.00 O ATOM 183 CB PRO A 33 7.331 11.002 7.008 1.00 0.00 C ATOM 184 CG PRO A 33 8.321 11.373 8.050 1.00 0.00 C ATOM 185 CD PRO A 33 9.659 10.936 7.530 1.00 0.00 C ATOM 0 HA PRO A 33 7.411 8.829 6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.190 11.813 6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.356 10.792 7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.307 12.447 8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.092 10.883 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.138 11.717 6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.344 10.683 8.339 1.00 0.00 H new ATOM 193 N LEU A 34 6.709 9.182 4.287 1.00 0.00 N ATOM 194 CA LEU A 34 6.445 9.192 2.860 1.00 0.00 C ATOM 195 C LEU A 34 4.951 9.086 2.572 1.00 0.00 C ATOM 196 O LEU A 34 4.214 8.416 3.289 1.00 0.00 O ATOM 197 CB LEU A 34 7.191 8.043 2.176 1.00 0.00 C ATOM 198 CG LEU A 34 8.540 8.422 1.564 1.00 0.00 C ATOM 199 CD1 LEU A 34 9.637 8.390 2.611 1.00 0.00 C ATOM 200 CD2 LEU A 34 8.879 7.489 0.403 1.00 0.00 C ATOM 0 H LEU A 34 6.047 8.633 4.836 1.00 0.00 H new ATOM 0 HA LEU A 34 6.802 10.141 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.350 7.248 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.555 7.633 1.391 1.00 0.00 H new ATOM 0 HG LEU A 34 8.467 9.440 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.587 8.663 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.402 9.098 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.712 7.386 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.842 7.772 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.929 6.462 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.108 7.566 -0.363 1.00 0.00 H new ATOM 212 N VAL A 35 4.512 9.747 1.497 1.00 0.00 N ATOM 213 CA VAL A 35 3.108 9.728 1.106 1.00 0.00 C ATOM 214 C VAL A 35 2.950 9.253 -0.319 1.00 0.00 C ATOM 215 O VAL A 35 3.754 9.594 -1.186 1.00 0.00 O ATOM 216 CB VAL A 35 2.462 11.120 1.247 1.00 0.00 C ATOM 217 CG1 VAL A 35 0.965 11.045 0.989 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.742 11.705 2.623 1.00 0.00 C ATOM 0 H VAL A 35 5.112 10.300 0.885 1.00 0.00 H new ATOM 0 HA VAL A 35 2.602 9.035 1.778 1.00 0.00 H new ATOM 0 HB VAL A 35 2.904 11.779 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.528 12.038 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.788 10.675 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.505 10.368 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.277 12.688 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.331 11.047 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.818 11.800 2.766 1.00 0.00 H new ATOM 228 N LEU A 36 1.909 8.465 -0.569 1.00 0.00 N ATOM 229 CA LEU A 36 1.649 7.946 -1.907 1.00 0.00 C ATOM 230 C LEU A 36 0.150 7.867 -2.181 1.00 0.00 C ATOM 231 O LEU A 36 -0.636 7.511 -1.302 1.00 0.00 O ATOM 232 CB LEU A 36 2.287 6.565 -2.084 1.00 0.00 C ATOM 233 CG LEU A 36 3.426 6.500 -3.095 1.00 0.00 C ATOM 234 CD1 LEU A 36 3.914 5.070 -3.268 1.00 0.00 C ATOM 235 CD2 LEU A 36 2.976 7.069 -4.433 1.00 0.00 C ATOM 0 H LEU A 36 1.233 8.172 0.136 1.00 0.00 H new ATOM 0 HA LEU A 36 2.096 8.635 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.661 6.229 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.512 5.861 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 36 4.254 7.100 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.727 5.048 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.272 4.689 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.094 4.446 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.799 7.017 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.132 6.490 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.674 8.108 -4.303 1.00 0.00 H new ATOM 247 N LYS A 37 -0.239 8.200 -3.409 1.00 0.00 N ATOM 248 CA LYS A 37 -1.642 8.165 -3.803 1.00 0.00 C ATOM 249 C LYS A 37 -1.887 7.082 -4.847 1.00 0.00 C ATOM 250 O LYS A 37 -1.274 7.085 -5.924 1.00 0.00 O ATOM 251 CB LYS A 37 -2.073 9.525 -4.360 1.00 0.00 C ATOM 252 CG LYS A 37 -2.207 10.598 -3.283 1.00 0.00 C ATOM 253 CD LYS A 37 -0.885 11.305 -3.044 1.00 0.00 C ATOM 254 CE LYS A 37 -0.716 12.507 -3.950 1.00 0.00 C ATOM 255 NZ LYS A 37 0.148 12.196 -5.122 1.00 0.00 N ATOM 0 H LYS A 37 0.399 8.497 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.234 7.936 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.346 9.853 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.027 9.414 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.962 11.325 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.552 10.144 -2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.827 11.624 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.065 10.607 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.694 12.841 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.280 13.330 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.491 13.082 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.959 11.624 -4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.402 11.665 -5.827 1.00 0.00 H new ATOM 269 N CYS A 38 -2.786 6.156 -4.533 1.00 0.00 N ATOM 270 CA CYS A 38 -3.112 5.065 -5.452 1.00 0.00 C ATOM 271 C CYS A 38 -4.373 5.382 -6.243 1.00 0.00 C ATOM 272 O CYS A 38 -5.451 5.558 -5.684 1.00 0.00 O ATOM 273 CB CYS A 38 -3.302 3.762 -4.665 1.00 0.00 C ATOM 274 SG CYS A 38 -3.699 2.323 -5.716 1.00 0.00 S ATOM 0 H CYS A 38 -3.302 6.136 -3.653 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.287 4.947 -6.155 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.392 3.551 -4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.101 3.901 -3.937 1.00 0.00 H new ATOM 279 N LYS A 39 -4.227 5.456 -7.562 1.00 0.00 N ATOM 280 CA LYS A 39 -5.355 5.752 -8.439 1.00 0.00 C ATOM 281 C LYS A 39 -6.410 4.654 -8.361 1.00 0.00 C ATOM 282 O LYS A 39 -6.185 3.603 -7.768 1.00 0.00 O ATOM 283 CB LYS A 39 -4.875 5.914 -9.882 1.00 0.00 C ATOM 284 CG LYS A 39 -4.192 4.675 -10.448 1.00 0.00 C ATOM 285 CD LYS A 39 -4.926 4.128 -11.655 1.00 0.00 C ATOM 286 CE LYS A 39 -5.829 2.960 -11.286 1.00 0.00 C ATOM 287 NZ LYS A 39 -5.476 1.726 -12.048 1.00 0.00 N ATOM 0 H LYS A 39 -3.341 5.315 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.807 6.686 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.728 6.167 -10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.182 6.754 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.167 4.921 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.137 3.906 -9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.523 4.920 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.203 3.806 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.750 2.763 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.867 3.226 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.079 1.655 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.478 1.771 -12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.624 0.892 -11.445 1.00 0.00 H new ATOM 301 N GLY A 40 -7.562 4.906 -8.980 1.00 0.00 N ATOM 302 CA GLY A 40 -8.638 3.931 -8.968 1.00 0.00 C ATOM 303 C GLY A 40 -10.001 4.575 -8.805 1.00 0.00 C ATOM 304 O GLY A 40 -10.102 5.762 -8.493 1.00 0.00 O ATOM 0 H GLY A 40 -7.768 5.766 -9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.618 3.360 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.474 3.223 -8.155 1.00 0.00 H new ATOM 308 N ALA A 41 -11.053 3.793 -9.023 1.00 0.00 N ATOM 309 CA ALA A 41 -12.416 4.295 -8.906 1.00 0.00 C ATOM 310 C ALA A 41 -12.692 4.808 -7.494 1.00 0.00 C ATOM 311 O ALA A 41 -12.233 4.224 -6.513 1.00 0.00 O ATOM 312 CB ALA A 41 -13.413 3.209 -9.288 1.00 0.00 C ATOM 0 H ALA A 41 -10.987 2.809 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.532 5.132 -9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.427 3.598 -9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.235 2.898 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.291 2.353 -8.624 1.00 0.00 H new ATOM 318 N PRO A 42 -13.449 5.914 -7.369 1.00 0.00 N ATOM 319 CA PRO A 42 -13.780 6.499 -6.065 1.00 0.00 C ATOM 320 C PRO A 42 -14.395 5.480 -5.120 1.00 0.00 C ATOM 321 O PRO A 42 -14.614 4.326 -5.477 1.00 0.00 O ATOM 322 CB PRO A 42 -14.799 7.589 -6.409 1.00 0.00 C ATOM 323 CG PRO A 42 -14.507 7.948 -7.825 1.00 0.00 C ATOM 324 CD PRO A 42 -14.040 6.679 -8.492 1.00 0.00 C ATOM 0 HA PRO A 42 -12.895 6.873 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.820 7.226 -6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.692 8.452 -5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.395 8.343 -8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.741 8.722 -7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.865 6.140 -8.958 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.308 6.879 -9.274 1.00 0.00 H new ATOM 332 N LYS A 43 -14.669 5.916 -3.886 1.00 0.00 N ATOM 333 CA LYS A 43 -15.258 5.043 -2.877 1.00 0.00 C ATOM 334 C LYS A 43 -16.763 5.273 -2.757 1.00 0.00 C ATOM 335 O LYS A 43 -17.488 4.427 -2.234 1.00 0.00 O ATOM 336 CB LYS A 43 -14.588 5.271 -1.521 1.00 0.00 C ATOM 337 CG LYS A 43 -14.995 4.257 -0.472 1.00 0.00 C ATOM 338 CD LYS A 43 -13.955 3.160 -0.313 1.00 0.00 C ATOM 339 CE LYS A 43 -12.782 3.617 0.523 1.00 0.00 C ATOM 340 NZ LYS A 43 -11.610 2.708 0.391 1.00 0.00 N ATOM 0 H LYS A 43 -14.491 6.868 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.093 4.012 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.506 5.237 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.836 6.271 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.140 4.761 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.952 3.813 -0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.415 2.288 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.602 2.849 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.494 4.624 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.082 3.670 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.829 3.060 0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.875 1.752 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.305 2.676 -0.603 1.00 0.00 H new ATOM 354 N LYS A 44 -17.227 6.420 -3.242 1.00 0.00 N ATOM 355 CA LYS A 44 -18.647 6.754 -3.185 1.00 0.00 C ATOM 356 C LYS A 44 -19.495 5.694 -3.889 1.00 0.00 C ATOM 357 O LYS A 44 -20.521 5.264 -3.359 1.00 0.00 O ATOM 358 CB LYS A 44 -18.901 8.128 -3.810 1.00 0.00 C ATOM 359 CG LYS A 44 -17.925 9.200 -3.349 1.00 0.00 C ATOM 360 CD LYS A 44 -17.305 9.937 -4.526 1.00 0.00 C ATOM 361 CE LYS A 44 -16.708 11.269 -4.099 1.00 0.00 C ATOM 362 NZ LYS A 44 -15.220 11.235 -4.095 1.00 0.00 N ATOM 0 H LYS A 44 -16.642 7.133 -3.678 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.939 6.782 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.844 8.040 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.916 8.445 -3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.443 9.911 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.138 8.743 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.530 9.318 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.063 10.106 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.051 12.053 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.068 11.525 -3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.852 12.162 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.891 10.504 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.875 11.016 -5.051 1.00 0.00 H new ATOM 376 N PRO A 45 -19.085 5.253 -5.093 1.00 0.00 N ATOM 377 CA PRO A 45 -19.823 4.239 -5.854 1.00 0.00 C ATOM 378 C PRO A 45 -19.826 2.882 -5.151 1.00 0.00 C ATOM 379 O PRO A 45 -18.825 2.484 -4.564 1.00 0.00 O ATOM 380 CB PRO A 45 -19.063 4.147 -7.186 1.00 0.00 C ATOM 381 CG PRO A 45 -18.205 5.365 -7.244 1.00 0.00 C ATOM 382 CD PRO A 45 -17.880 5.698 -5.811 1.00 0.00 C ATOM 0 HA PRO A 45 -20.872 4.509 -5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -18.460 3.240 -7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.753 4.113 -8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.298 5.179 -7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -18.727 6.190 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -16.988 5.176 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -17.698 6.764 -5.674 1.00 0.00 H new ATOM 390 N PRO A 46 -20.954 2.149 -5.209 1.00 0.00 N ATOM 391 CA PRO A 46 -21.070 0.833 -4.580 1.00 0.00 C ATOM 392 C PRO A 46 -19.965 -0.121 -5.020 1.00 0.00 C ATOM 393 O PRO A 46 -20.122 -0.864 -5.988 1.00 0.00 O ATOM 394 CB PRO A 46 -22.434 0.323 -5.045 1.00 0.00 C ATOM 395 CG PRO A 46 -23.205 1.551 -5.383 1.00 0.00 C ATOM 396 CD PRO A 46 -22.198 2.542 -5.897 1.00 0.00 C ATOM 0 HA PRO A 46 -20.976 0.897 -3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -22.337 -0.333 -5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -22.929 -0.252 -4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -23.965 1.340 -6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -23.724 1.940 -4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -22.094 2.485 -6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -22.484 3.566 -5.658 1.00 0.00 H new ATOM 404 N GLN A 47 -18.845 -0.094 -4.295 1.00 0.00 N ATOM 405 CA GLN A 47 -17.714 -0.956 -4.614 1.00 0.00 C ATOM 406 C GLN A 47 -16.909 -1.286 -3.361 1.00 0.00 C ATOM 407 O GLN A 47 -17.280 -0.902 -2.260 1.00 0.00 O ATOM 408 CB GLN A 47 -16.813 -0.286 -5.653 1.00 0.00 C ATOM 409 CG GLN A 47 -17.153 -0.664 -7.085 1.00 0.00 C ATOM 410 CD GLN A 47 -16.926 0.477 -8.058 1.00 0.00 C ATOM 411 OE1 GLN A 47 -17.778 1.350 -8.219 1.00 0.00 O ATOM 412 NE2 GLN A 47 -15.770 0.474 -8.713 1.00 0.00 N ATOM 0 H GLN A 47 -18.701 0.513 -3.488 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.104 -1.886 -5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.888 0.796 -5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -15.776 -0.555 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.547 -1.519 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.195 -0.979 -7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.092 -0.270 -8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.560 1.216 -9.381 1.00 0.00 H new ATOM 421 N ARG A 48 -15.803 -2.001 -3.547 1.00 0.00 N ATOM 422 CA ARG A 48 -14.943 -2.383 -2.433 1.00 0.00 C ATOM 423 C ARG A 48 -13.478 -2.099 -2.753 1.00 0.00 C ATOM 424 O ARG A 48 -13.145 -1.681 -3.863 1.00 0.00 O ATOM 425 CB ARG A 48 -15.128 -3.867 -2.106 1.00 0.00 C ATOM 426 CG ARG A 48 -15.293 -4.147 -0.622 1.00 0.00 C ATOM 427 CD ARG A 48 -15.347 -5.640 -0.339 1.00 0.00 C ATOM 428 NE ARG A 48 -14.014 -6.239 -0.314 1.00 0.00 N ATOM 429 CZ ARG A 48 -13.184 -6.160 0.707 1.00 0.00 C ATOM 430 NH1 ARG A 48 -13.544 -5.506 1.805 1.00 0.00 N ATOM 431 NH2 ARG A 48 -11.991 -6.735 0.646 1.00 0.00 N ATOM 0 H ARG A 48 -15.482 -2.327 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 48 -15.228 -1.788 -1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.003 -4.241 -2.637 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.267 -4.423 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.464 -3.701 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.206 -3.674 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.839 -5.810 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.952 -6.132 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.706 -6.751 -1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.462 -5.065 1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.902 -5.444 2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.711 -7.242 -0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.353 -6.671 1.439 1.00 0.00 H new ATOM 445 N LEU A 49 -12.609 -2.328 -1.775 1.00 0.00 N ATOM 446 CA LEU A 49 -11.180 -2.098 -1.953 1.00 0.00 C ATOM 447 C LEU A 49 -10.370 -2.900 -0.941 1.00 0.00 C ATOM 448 O LEU A 49 -10.725 -2.975 0.219 1.00 0.00 O ATOM 449 CB LEU A 49 -10.861 -0.607 -1.824 1.00 0.00 C ATOM 450 CG LEU A 49 -9.373 -0.253 -1.901 1.00 0.00 C ATOM 451 CD1 LEU A 49 -9.161 0.958 -2.798 1.00 0.00 C ATOM 452 CD2 LEU A 49 -8.806 0.007 -0.513 1.00 0.00 C ATOM 0 H LEU A 49 -12.869 -2.673 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.904 -2.432 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.388 -0.069 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.256 -0.248 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.842 -1.102 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.098 1.197 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.525 0.736 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.708 1.810 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.748 0.256 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.341 0.837 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.923 -0.886 0.101 1.00 0.00 H new ATOM 464 N GLU A 50 -9.278 -3.498 -1.407 1.00 0.00 N ATOM 465 CA GLU A 50 -8.415 -4.295 -0.552 1.00 0.00 C ATOM 466 C GLU A 50 -6.945 -4.028 -0.851 1.00 0.00 C ATOM 467 O GLU A 50 -6.560 -3.888 -2.020 1.00 0.00 O ATOM 468 CB GLU A 50 -8.722 -5.784 -0.715 1.00 0.00 C ATOM 469 CG GLU A 50 -8.715 -6.245 -2.172 1.00 0.00 C ATOM 470 CD GLU A 50 -9.707 -7.361 -2.432 1.00 0.00 C ATOM 471 OE1 GLU A 50 -10.839 -7.284 -1.902 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.351 -8.314 -3.150 1.00 0.00 O ATOM 0 H GLU A 50 -8.971 -3.443 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.612 -4.005 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.988 -6.363 -0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.698 -5.997 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.947 -5.399 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.714 -6.584 -2.438 1.00 0.00 H new ATOM 479 N TRP A 51 -6.130 -3.956 0.188 1.00 0.00 N ATOM 480 CA TRP A 51 -4.703 -3.704 0.019 1.00 0.00 C ATOM 481 C TRP A 51 -3.907 -5.002 0.105 1.00 0.00 C ATOM 482 O TRP A 51 -4.159 -5.838 0.980 1.00 0.00 O ATOM 483 CB TRP A 51 -4.214 -2.720 1.083 1.00 0.00 C ATOM 484 CG TRP A 51 -3.199 -1.746 0.567 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.357 -0.867 -0.449 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.869 -1.553 1.068 1.00 0.00 C ATOM 487 NE1 TRP A 51 -2.206 -0.139 -0.629 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.277 -0.543 0.279 1.00 0.00 C ATOM 489 CE3 TRP A 51 -1.120 -2.138 2.086 1.00 0.00 C ATOM 490 CZ2 TRP A 51 0.027 -0.104 0.500 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.175 -1.701 2.304 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.737 -0.692 1.503 1.00 0.00 C ATOM 0 H TRP A 51 -6.428 -4.068 1.157 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.548 -3.271 -0.969 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.068 -2.169 1.479 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.782 -3.278 1.914 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.258 -0.754 -1.034 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.070 0.588 -1.331 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.544 -2.922 2.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.461 0.678 -0.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.760 -2.140 3.098 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.753 -0.376 1.687 1.00 0.00 H new ATOM 503 N LYS A 52 -2.946 -5.162 -0.783 1.00 0.00 N ATOM 504 CA LYS A 52 -2.112 -6.358 -0.816 1.00 0.00 C ATOM 505 C LYS A 52 -0.685 -6.015 -1.232 1.00 0.00 C ATOM 506 O LYS A 52 -0.462 -5.099 -2.024 1.00 0.00 O ATOM 507 CB LYS A 52 -2.702 -7.395 -1.766 1.00 0.00 C ATOM 508 CG LYS A 52 -3.647 -8.377 -1.100 1.00 0.00 C ATOM 509 CD LYS A 52 -4.155 -9.422 -2.073 1.00 0.00 C ATOM 510 CE LYS A 52 -5.471 -10.025 -1.616 1.00 0.00 C ATOM 511 NZ LYS A 52 -6.535 -8.994 -1.458 1.00 0.00 N ATOM 0 H LYS A 52 -2.718 -4.474 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.085 -6.778 0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.235 -6.879 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.888 -7.950 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.135 -8.869 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.492 -7.836 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.284 -8.971 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.411 -10.211 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.797 -10.774 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.323 -10.541 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.431 -9.358 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.655 -8.771 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.263 -8.132 -1.973 1.00 0.00 H new ATOM 525 N LEU A 53 0.278 -6.757 -0.686 1.00 0.00 N ATOM 526 CA LEU A 53 1.684 -6.529 -1.003 1.00 0.00 C ATOM 527 C LEU A 53 2.456 -7.845 -1.036 1.00 0.00 C ATOM 528 O LEU A 53 2.120 -8.787 -0.320 1.00 0.00 O ATOM 529 CB LEU A 53 2.309 -5.577 0.002 1.00 0.00 C ATOM 530 CG LEU A 53 2.055 -5.941 1.465 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.131 -6.888 1.980 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.998 -4.686 2.332 1.00 0.00 C ATOM 0 H LEU A 53 0.110 -7.516 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 53 1.737 -6.076 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.385 -5.544 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.926 -4.573 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 53 1.091 -6.447 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.931 -7.134 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.127 -7.801 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.106 -6.408 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.816 -4.968 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.946 -4.152 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.191 -4.040 1.985 1.00 0.00 H new ATOM 544 N ASN A 54 3.495 -7.900 -1.864 1.00 0.00 N ATOM 545 CA ASN A 54 4.315 -9.101 -1.973 1.00 0.00 C ATOM 546 C ASN A 54 5.684 -8.889 -1.335 1.00 0.00 C ATOM 547 O ASN A 54 6.472 -8.060 -1.800 1.00 0.00 O ATOM 548 CB ASN A 54 4.480 -9.490 -3.443 1.00 0.00 C ATOM 549 CG ASN A 54 4.882 -10.942 -3.615 1.00 0.00 C ATOM 550 OD1 ASN A 54 6.026 -11.316 -3.364 1.00 0.00 O ATOM 551 ND2 ASN A 54 3.941 -11.769 -4.054 1.00 0.00 N ATOM 0 H ASN A 54 3.788 -7.131 -2.466 1.00 0.00 H new ATOM 0 HA ASN A 54 3.811 -9.907 -1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.544 -9.310 -3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.233 -8.850 -3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.155 -12.756 -4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.004 -11.417 -4.250 1.00 0.00 H new ATOM 558 N THR A 55 5.962 -9.643 -0.277 1.00 0.00 N ATOM 559 CA THR A 55 7.236 -9.539 0.416 1.00 0.00 C ATOM 560 C THR A 55 7.596 -10.859 1.081 1.00 0.00 C ATOM 561 O THR A 55 6.807 -11.803 1.079 1.00 0.00 O ATOM 562 CB THR A 55 7.181 -8.421 1.451 1.00 0.00 C ATOM 563 OG1 THR A 55 6.125 -7.520 1.165 1.00 0.00 O ATOM 564 CG2 THR A 55 8.460 -7.618 1.535 1.00 0.00 C ATOM 0 H THR A 55 5.321 -10.332 0.117 1.00 0.00 H new ATOM 0 HA THR A 55 8.009 -9.303 -0.316 1.00 0.00 H new ATOM 0 HB THR A 55 7.023 -8.922 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.289 -6.668 1.621 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.352 -6.840 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.285 -8.276 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.666 -7.159 0.568 1.00 0.00 H new ATOM 572 N GLY A 56 8.790 -10.914 1.663 1.00 0.00 N ATOM 573 CA GLY A 56 9.230 -12.119 2.337 1.00 0.00 C ATOM 574 C GLY A 56 8.430 -12.395 3.593 1.00 0.00 C ATOM 575 O GLY A 56 8.136 -13.547 3.914 1.00 0.00 O ATOM 0 H GLY A 56 9.460 -10.145 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.141 -12.967 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.285 -12.025 2.593 1.00 0.00 H new ATOM 579 N ARG A 57 8.075 -11.330 4.312 1.00 0.00 N ATOM 580 CA ARG A 57 7.300 -11.448 5.540 1.00 0.00 C ATOM 581 C ARG A 57 6.177 -10.415 5.557 1.00 0.00 C ATOM 582 O ARG A 57 6.341 -9.318 6.090 1.00 0.00 O ATOM 583 CB ARG A 57 8.206 -11.268 6.760 1.00 0.00 C ATOM 584 CG ARG A 57 7.910 -12.244 7.888 1.00 0.00 C ATOM 585 CD ARG A 57 9.180 -12.890 8.409 1.00 0.00 C ATOM 586 NE ARG A 57 8.903 -14.117 9.151 1.00 0.00 N ATOM 587 CZ ARG A 57 8.342 -14.143 10.358 1.00 0.00 C ATOM 588 NH1 ARG A 57 7.999 -13.011 10.963 1.00 0.00 N ATOM 589 NH2 ARG A 57 8.124 -15.302 10.963 1.00 0.00 N ATOM 0 H ARG A 57 8.315 -10.371 4.060 1.00 0.00 H new ATOM 0 HA ARG A 57 6.859 -12.444 5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.245 -11.387 6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.099 -10.250 7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.406 -11.721 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.227 -13.016 7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.843 -13.113 7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.707 -12.187 9.054 1.00 0.00 H new ATOM 0 HE ARG A 57 9.154 -15.006 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.165 -12.116 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.569 -13.037 11.888 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.386 -16.174 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.694 -15.322 11.888 1.00 0.00 H new ATOM 603 N THR A 58 5.039 -10.772 4.970 1.00 0.00 N ATOM 604 CA THR A 58 3.888 -9.876 4.924 1.00 0.00 C ATOM 605 C THR A 58 3.524 -9.360 6.307 1.00 0.00 C ATOM 606 O THR A 58 2.753 -9.991 7.031 1.00 0.00 O ATOM 607 CB THR A 58 2.687 -10.591 4.304 1.00 0.00 C ATOM 608 OG1 THR A 58 2.237 -11.637 5.144 1.00 0.00 O ATOM 609 CG2 THR A 58 2.982 -11.189 2.944 1.00 0.00 C ATOM 0 H THR A 58 4.889 -11.675 4.520 1.00 0.00 H new ATOM 0 HA THR A 58 4.160 -9.020 4.306 1.00 0.00 H new ATOM 0 HB THR A 58 1.923 -9.822 4.187 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.292 -11.352 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.088 -11.681 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.284 -10.399 2.257 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.787 -11.918 3.034 1.00 0.00 H new ATOM 617 N GLU A 59 4.083 -8.211 6.670 1.00 0.00 N ATOM 618 CA GLU A 59 3.818 -7.609 7.973 1.00 0.00 C ATOM 619 C GLU A 59 3.088 -6.273 7.827 1.00 0.00 C ATOM 620 O GLU A 59 2.521 -5.760 8.800 1.00 0.00 O ATOM 621 CB GLU A 59 5.129 -7.405 8.735 1.00 0.00 C ATOM 622 CG GLU A 59 5.463 -8.542 9.687 1.00 0.00 C ATOM 623 CD GLU A 59 6.955 -8.701 9.903 1.00 0.00 C ATOM 624 OE1 GLU A 59 7.652 -7.671 10.021 1.00 0.00 O ATOM 625 OE2 GLU A 59 7.429 -9.856 9.954 1.00 0.00 O ATOM 0 H GLU A 59 4.722 -7.677 6.081 1.00 0.00 H new ATOM 0 HA GLU A 59 3.176 -8.289 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.942 -7.292 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.070 -6.475 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.978 -8.362 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.055 -9.473 9.293 1.00 0.00 H new ATOM 632 N ALA A 60 3.108 -5.714 6.621 1.00 0.00 N ATOM 633 CA ALA A 60 2.450 -4.438 6.357 1.00 0.00 C ATOM 634 C ALA A 60 1.118 -4.632 5.638 1.00 0.00 C ATOM 635 O ALA A 60 0.285 -3.726 5.605 1.00 0.00 O ATOM 636 CB ALA A 60 3.362 -3.542 5.544 1.00 0.00 C ATOM 0 H ALA A 60 3.573 -6.124 5.811 1.00 0.00 H new ATOM 0 HA ALA A 60 2.241 -3.963 7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.862 -2.592 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.283 -3.362 6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.597 -4.026 4.596 1.00 0.00 H new ATOM 642 N TRP A 61 0.923 -5.813 5.062 1.00 0.00 N ATOM 643 CA TRP A 61 -0.307 -6.120 4.341 1.00 0.00 C ATOM 644 C TRP A 61 -1.526 -5.946 5.243 1.00 0.00 C ATOM 645 O TRP A 61 -1.684 -6.657 6.244 1.00 0.00 O ATOM 646 CB TRP A 61 -0.250 -7.551 3.804 1.00 0.00 C ATOM 647 CG TRP A 61 -1.533 -8.016 3.174 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.567 -7.235 2.746 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.917 -9.370 2.920 1.00 0.00 C ATOM 650 NE1 TRP A 61 -3.572 -8.021 2.234 1.00 0.00 N ATOM 651 CE2 TRP A 61 -3.196 -9.336 2.325 1.00 0.00 C ATOM 652 CE3 TRP A 61 -1.303 -10.610 3.117 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -3.870 -10.491 1.948 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -1.974 -11.755 2.734 1.00 0.00 C ATOM 655 CH2 TRP A 61 -3.245 -11.690 2.160 1.00 0.00 C ATOM 0 H TRP A 61 1.602 -6.574 5.080 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.400 -5.425 3.506 1.00 0.00 H new ATOM 0 HB2 TRP A 61 0.551 -7.621 3.068 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.008 -8.225 4.621 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.592 -6.157 2.801 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.453 -7.681 1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.321 -10.672 3.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -4.853 -10.444 1.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.507 -12.718 2.881 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.745 -12.605 1.877 1.00 0.00 H new ATOM 666 N LYS A 62 -2.384 -4.993 4.891 1.00 0.00 N ATOM 667 CA LYS A 62 -3.588 -4.722 5.667 1.00 0.00 C ATOM 668 C LYS A 62 -4.818 -4.660 4.765 1.00 0.00 C ATOM 669 O LYS A 62 -4.716 -4.334 3.583 1.00 0.00 O ATOM 670 CB LYS A 62 -3.437 -3.405 6.440 1.00 0.00 C ATOM 671 CG LYS A 62 -4.592 -3.112 7.377 1.00 0.00 C ATOM 672 CD LYS A 62 -5.572 -2.122 6.776 1.00 0.00 C ATOM 673 CE LYS A 62 -6.537 -1.578 7.810 1.00 0.00 C ATOM 674 NZ LYS A 62 -6.243 -0.159 8.160 1.00 0.00 N ATOM 0 H LYS A 62 -2.267 -4.396 4.073 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.724 -5.538 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.512 -3.436 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.341 -2.585 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.113 -4.040 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.206 -2.716 8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.022 -1.297 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.133 -2.607 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.556 -1.653 7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.487 -2.191 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.927 0.172 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.280 -0.089 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.316 0.431 7.307 1.00 0.00 H new ATOM 688 N VAL A 63 -5.979 -4.975 5.331 1.00 0.00 N ATOM 689 CA VAL A 63 -7.227 -4.954 4.578 1.00 0.00 C ATOM 690 C VAL A 63 -8.115 -3.796 5.022 1.00 0.00 C ATOM 691 O VAL A 63 -8.216 -3.499 6.220 1.00 0.00 O ATOM 692 CB VAL A 63 -8.004 -6.273 4.741 1.00 0.00 C ATOM 693 CG1 VAL A 63 -9.197 -6.311 3.799 1.00 0.00 C ATOM 694 CG2 VAL A 63 -7.089 -7.465 4.502 1.00 0.00 C ATOM 0 H VAL A 63 -6.081 -5.248 6.309 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.962 -4.825 3.529 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.377 -6.329 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.733 -7.251 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.864 -5.478 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.850 -6.231 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.656 -8.388 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.684 -7.416 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.271 -7.446 5.222 1.00 0.00 H new ATOM 704 N LEU A 64 -8.758 -3.146 4.057 1.00 0.00 N ATOM 705 CA LEU A 64 -9.639 -2.021 4.350 1.00 0.00 C ATOM 706 C LEU A 64 -11.072 -2.494 4.572 1.00 0.00 C ATOM 707 O LEU A 64 -11.646 -3.177 3.715 1.00 0.00 O ATOM 708 CB LEU A 64 -9.590 -0.999 3.220 1.00 0.00 C ATOM 709 CG LEU A 64 -8.434 -0.001 3.296 1.00 0.00 C ATOM 710 CD1 LEU A 64 -7.208 -0.546 2.571 1.00 0.00 C ATOM 711 CD2 LEU A 64 -8.847 1.339 2.704 1.00 0.00 C ATOM 0 H LEU A 64 -8.686 -3.379 3.067 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.290 -1.548 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.527 -1.532 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.528 -0.444 3.212 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.178 0.148 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.396 0.178 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.898 -1.482 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.453 -0.723 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.012 2.037 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.130 1.204 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.695 1.737 3.261 1.00 0.00 H new ATOM 723 N SER A 65 -11.647 -2.126 5.712 1.00 0.00 N ATOM 724 CA SER A 65 -13.015 -2.512 6.033 1.00 0.00 C ATOM 725 C SER A 65 -13.908 -1.282 6.181 1.00 0.00 C ATOM 726 O SER A 65 -13.422 -0.181 6.437 1.00 0.00 O ATOM 727 CB SER A 65 -13.040 -3.333 7.323 1.00 0.00 C ATOM 728 OG SER A 65 -11.798 -3.980 7.542 1.00 0.00 O ATOM 0 H SER A 65 -11.188 -1.562 6.427 1.00 0.00 H new ATOM 0 HA SER A 65 -13.399 -3.119 5.213 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.268 -2.682 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.836 -4.076 7.269 1.00 0.00 H new ATOM 0 HG SER A 65 -11.840 -4.496 8.374 1.00 0.00 H new ATOM 734 N PRO A 66 -15.230 -1.455 6.018 1.00 0.00 N ATOM 735 CA PRO A 66 -16.191 -0.355 6.140 1.00 0.00 C ATOM 736 C PRO A 66 -16.461 0.036 7.583 1.00 0.00 C ATOM 737 O PRO A 66 -17.603 0.011 8.041 1.00 0.00 O ATOM 738 CB PRO A 66 -17.451 -0.930 5.489 1.00 0.00 C ATOM 739 CG PRO A 66 -17.360 -2.396 5.744 1.00 0.00 C ATOM 740 CD PRO A 66 -15.893 -2.737 5.706 1.00 0.00 C ATOM 0 HA PRO A 66 -15.827 0.561 5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.354 -0.505 5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.482 -0.713 4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.794 -2.651 6.711 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.910 -2.958 4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.641 -3.507 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.595 -3.115 4.728 1.00 0.00 H new ATOM 748 N GLN A 67 -15.402 0.400 8.301 1.00 0.00 N ATOM 749 CA GLN A 67 -15.524 0.798 9.698 1.00 0.00 C ATOM 750 C GLN A 67 -14.166 1.193 10.271 1.00 0.00 C ATOM 751 O GLN A 67 -13.998 2.294 10.804 1.00 0.00 O ATOM 752 CB GLN A 67 -16.126 -0.339 10.527 1.00 0.00 C ATOM 753 CG GLN A 67 -16.317 0.014 11.993 1.00 0.00 C ATOM 754 CD GLN A 67 -17.191 -0.986 12.725 1.00 0.00 C ATOM 755 OE1 GLN A 67 -18.149 -1.517 12.172 1.00 0.00 O ATOM 756 NE2 GLN A 67 -16.863 -1.248 13.985 1.00 0.00 N ATOM 0 H GLN A 67 -14.450 0.427 7.937 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.186 1.662 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.089 -0.618 10.100 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.479 -1.213 10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.343 0.065 12.480 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.764 1.005 12.069 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.059 -0.786 14.409 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.415 -1.911 14.528 1.00 0.00 H new ATOM 765 N GLY A 68 -13.200 0.286 10.166 1.00 0.00 N ATOM 766 CA GLY A 68 -11.870 0.556 10.678 1.00 0.00 C ATOM 767 C GLY A 68 -11.318 -0.595 11.495 1.00 0.00 C ATOM 768 O GLY A 68 -11.958 -1.059 12.438 1.00 0.00 O ATOM 0 H GLY A 68 -13.315 -0.631 9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.198 0.761 9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.897 1.455 11.294 1.00 0.00 H new ATOM 772 N GLY A 69 -10.125 -1.057 11.133 1.00 0.00 N ATOM 773 CA GLY A 69 -9.507 -2.157 11.849 1.00 0.00 C ATOM 774 C GLY A 69 -8.268 -2.681 11.150 1.00 0.00 C ATOM 775 O GLY A 69 -8.236 -2.782 9.932 1.00 0.00 O ATOM 0 H GLY A 69 -9.576 -0.689 10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.242 -1.829 12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.229 -2.967 11.958 1.00 0.00 H new ATOM 779 N GLY A 70 -7.247 -3.015 11.931 1.00 0.00 N ATOM 780 CA GLY A 70 -6.014 -3.528 11.361 1.00 0.00 C ATOM 781 C GLY A 70 -4.783 -3.034 12.101 1.00 0.00 C ATOM 782 O GLY A 70 -4.524 -1.831 12.138 1.00 0.00 O ATOM 0 H GLY A 70 -7.250 -2.940 12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.034 -4.618 11.381 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.949 -3.230 10.315 1.00 0.00 H new ATOM 786 N PRO A 71 -3.994 -3.943 12.705 1.00 0.00 N ATOM 787 CA PRO A 71 -2.783 -3.568 13.452 1.00 0.00 C ATOM 788 C PRO A 71 -1.853 -2.684 12.621 1.00 0.00 C ATOM 789 O PRO A 71 -1.111 -1.867 13.167 1.00 0.00 O ATOM 790 CB PRO A 71 -2.116 -4.913 13.742 1.00 0.00 C ATOM 791 CG PRO A 71 -3.233 -5.898 13.737 1.00 0.00 C ATOM 792 CD PRO A 71 -4.219 -5.402 12.724 1.00 0.00 C ATOM 0 HA PRO A 71 -3.013 -2.990 14.347 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.370 -5.156 12.985 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.603 -4.901 14.703 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.874 -6.894 13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.691 -5.973 14.723 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.045 -5.847 11.744 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.243 -5.646 13.008 1.00 0.00 H new ATOM 800 N TRP A 72 -1.899 -2.851 11.303 1.00 0.00 N ATOM 801 CA TRP A 72 -1.060 -2.068 10.403 1.00 0.00 C ATOM 802 C TRP A 72 -1.394 -0.580 10.491 1.00 0.00 C ATOM 803 O TRP A 72 -0.585 0.268 10.124 1.00 0.00 O ATOM 804 CB TRP A 72 -1.227 -2.556 8.963 1.00 0.00 C ATOM 805 CG TRP A 72 -0.351 -1.832 7.986 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.010 -1.893 7.903 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.777 -0.937 6.953 1.00 0.00 C ATOM 808 NE1 TRP A 72 1.457 -1.090 6.882 1.00 0.00 N ATOM 809 CE2 TRP A 72 0.379 -0.492 6.283 1.00 0.00 C ATOM 810 CE3 TRP A 72 -2.023 -0.467 6.536 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.325 0.396 5.213 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -2.076 0.415 5.466 1.00 0.00 C ATOM 813 CH2 TRP A 72 -0.908 0.840 4.819 1.00 0.00 C ATOM 0 H TRP A 72 -2.508 -3.522 10.835 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.023 -2.204 10.709 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -1.004 -3.622 8.920 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.268 -2.436 8.665 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.643 -2.486 8.546 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.432 -0.960 6.613 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.927 -0.783 7.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.224 0.723 4.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.034 0.780 5.126 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.982 1.532 3.993 1.00 0.00 H new ATOM 824 N ASP A 73 -2.589 -0.269 10.996 1.00 0.00 N ATOM 825 CA ASP A 73 -3.025 1.118 11.123 1.00 0.00 C ATOM 826 C ASP A 73 -1.999 1.941 11.895 1.00 0.00 C ATOM 827 O ASP A 73 -1.855 3.143 11.670 1.00 0.00 O ATOM 828 CB ASP A 73 -4.384 1.179 11.826 1.00 0.00 C ATOM 829 CG ASP A 73 -4.900 2.597 11.970 1.00 0.00 C ATOM 830 OD1 ASP A 73 -5.517 3.105 11.009 1.00 0.00 O ATOM 831 OD2 ASP A 73 -4.688 3.200 13.043 1.00 0.00 O ATOM 0 H ASP A 73 -3.268 -0.957 11.322 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.121 1.540 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.107 0.588 11.264 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.300 0.725 12.813 1.00 0.00 H new ATOM 836 N SER A 74 -1.286 1.286 12.805 1.00 0.00 N ATOM 837 CA SER A 74 -0.270 1.957 13.609 1.00 0.00 C ATOM 838 C SER A 74 1.004 2.192 12.808 1.00 0.00 C ATOM 839 O SER A 74 1.841 3.015 13.171 1.00 0.00 O ATOM 840 CB SER A 74 0.049 1.133 14.857 1.00 0.00 C ATOM 841 OG SER A 74 0.478 1.964 15.922 1.00 0.00 O ATOM 0 H SER A 74 -1.393 0.291 13.005 1.00 0.00 H new ATOM 0 HA SER A 74 -0.670 2.926 13.908 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.835 0.573 15.162 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.825 0.403 14.626 1.00 0.00 H new ATOM 0 HG SER A 74 0.674 1.413 16.708 1.00 0.00 H new ATOM 847 N VAL A 75 1.146 1.466 11.695 1.00 0.00 N ATOM 848 CA VAL A 75 2.318 1.598 10.839 1.00 0.00 C ATOM 849 C VAL A 75 2.067 2.590 9.709 1.00 0.00 C ATOM 850 O VAL A 75 2.981 3.288 9.269 1.00 0.00 O ATOM 851 CB VAL A 75 2.728 0.243 10.240 1.00 0.00 C ATOM 852 CG1 VAL A 75 4.062 0.362 9.511 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.789 -0.829 11.310 1.00 0.00 C ATOM 0 H VAL A 75 0.462 0.783 11.370 1.00 0.00 H new ATOM 0 HA VAL A 75 3.128 1.969 11.466 1.00 0.00 H new ATOM 0 HB VAL A 75 1.968 -0.053 9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.336 -0.607 9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.973 1.092 8.706 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.832 0.686 10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.081 -1.777 10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.521 -0.546 12.067 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.809 -0.935 11.775 1.00 0.00 H new ATOM 863 N ALA A 76 0.825 2.648 9.248 1.00 0.00 N ATOM 864 CA ALA A 76 0.459 3.556 8.159 1.00 0.00 C ATOM 865 C ALA A 76 -1.048 3.783 8.114 1.00 0.00 C ATOM 866 O ALA A 76 -1.831 2.899 8.466 1.00 0.00 O ATOM 867 CB ALA A 76 0.954 3.013 6.826 1.00 0.00 C ATOM 0 H ALA A 76 0.055 2.083 9.606 1.00 0.00 H new ATOM 0 HA ALA A 76 0.939 4.517 8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.674 3.699 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.039 2.912 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.504 2.038 6.641 1.00 0.00 H new ATOM 873 N ARG A 77 -1.448 4.973 7.688 1.00 0.00 N ATOM 874 CA ARG A 77 -2.862 5.320 7.586 1.00 0.00 C ATOM 875 C ARG A 77 -3.271 5.539 6.140 1.00 0.00 C ATOM 876 O ARG A 77 -2.424 5.758 5.266 1.00 0.00 O ATOM 877 CB ARG A 77 -3.153 6.579 8.409 1.00 0.00 C ATOM 878 CG ARG A 77 -3.890 6.306 9.709 1.00 0.00 C ATOM 879 CD ARG A 77 -3.151 5.289 10.560 1.00 0.00 C ATOM 880 NE ARG A 77 -2.300 5.920 11.559 1.00 0.00 N ATOM 881 CZ ARG A 77 -2.748 6.387 12.722 1.00 0.00 C ATOM 882 NH1 ARG A 77 -4.037 6.302 13.036 1.00 0.00 N ATOM 883 NH2 ARG A 77 -1.905 6.943 13.581 1.00 0.00 N ATOM 0 H ARG A 77 -0.812 5.718 7.406 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.445 4.487 7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.211 7.080 8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.744 7.268 7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.004 7.236 10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.893 5.940 9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.873 4.641 11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.543 4.653 9.917 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.304 6.009 11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.694 5.875 12.383 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.369 6.663 13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.914 7.013 13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.248 7.301 14.472 1.00 0.00 H new ATOM 897 N VAL A 78 -4.573 5.478 5.880 1.00 0.00 N ATOM 898 CA VAL A 78 -5.093 5.668 4.532 1.00 0.00 C ATOM 899 C VAL A 78 -6.000 6.892 4.460 1.00 0.00 C ATOM 900 O VAL A 78 -7.090 6.903 5.025 1.00 0.00 O ATOM 901 CB VAL A 78 -5.880 4.434 4.045 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.240 4.565 2.573 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.083 3.162 4.295 1.00 0.00 C ATOM 0 H VAL A 78 -5.287 5.298 6.586 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.230 5.816 3.883 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.808 4.375 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.794 3.682 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.855 5.453 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.328 4.654 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.653 2.301 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.137 3.214 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.888 3.059 5.362 1.00 0.00 H new ATOM 913 N LEU A 79 -5.544 7.922 3.746 1.00 0.00 N ATOM 914 CA LEU A 79 -6.317 9.150 3.602 1.00 0.00 C ATOM 915 C LEU A 79 -7.590 8.897 2.797 1.00 0.00 C ATOM 916 O LEU A 79 -7.601 8.075 1.888 1.00 0.00 O ATOM 917 CB LEU A 79 -5.472 10.234 2.927 1.00 0.00 C ATOM 918 CG LEU A 79 -5.107 11.420 3.822 1.00 0.00 C ATOM 919 CD1 LEU A 79 -4.447 10.937 5.112 1.00 0.00 C ATOM 920 CD2 LEU A 79 -4.194 12.384 3.081 1.00 0.00 C ATOM 0 H LEU A 79 -4.647 7.928 3.261 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.601 9.493 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.552 9.780 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.014 10.607 2.058 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.024 11.948 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.195 11.795 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.135 10.287 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.539 10.384 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.944 13.222 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.280 11.867 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.702 12.755 2.191 1.00 0.00 H new ATOM 932 N PRO A 80 -8.685 9.606 3.131 1.00 0.00 N ATOM 933 CA PRO A 80 -9.971 9.457 2.438 1.00 0.00 C ATOM 934 C PRO A 80 -9.863 9.725 0.948 1.00 0.00 C ATOM 935 O PRO A 80 -10.724 9.311 0.172 1.00 0.00 O ATOM 936 CB PRO A 80 -10.874 10.503 3.106 1.00 0.00 C ATOM 937 CG PRO A 80 -9.946 11.433 3.813 1.00 0.00 C ATOM 938 CD PRO A 80 -8.758 10.607 4.207 1.00 0.00 C ATOM 0 HA PRO A 80 -10.352 8.439 2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.474 11.033 2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.568 10.035 3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.651 12.258 3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.425 11.872 4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.850 11.207 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.895 10.142 5.183 1.00 0.00 H new ATOM 946 N ASN A 81 -8.802 10.419 0.544 1.00 0.00 N ATOM 947 CA ASN A 81 -8.591 10.736 -0.864 1.00 0.00 C ATOM 948 C ASN A 81 -7.917 9.577 -1.593 1.00 0.00 C ATOM 949 O ASN A 81 -7.585 9.695 -2.780 1.00 0.00 O ATOM 950 CB ASN A 81 -7.745 12.004 -0.993 1.00 0.00 C ATOM 951 CG ASN A 81 -6.356 11.840 -0.407 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.910 10.724 -0.139 1.00 0.00 O ATOM 953 ND2 ASN A 81 -5.664 12.955 -0.203 1.00 0.00 N ATOM 0 H ASN A 81 -8.078 10.771 1.170 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.564 10.905 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.662 12.275 -2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.252 12.828 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.724 12.907 0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.072 13.859 -0.440 1.00 0.00 H new ATOM 960 N GLY A 82 -7.716 8.460 -0.904 1.00 0.00 N ATOM 961 CA GLY A 82 -7.083 7.309 -1.511 1.00 0.00 C ATOM 962 C GLY A 82 -5.572 7.412 -1.516 1.00 0.00 C ATOM 963 O GLY A 82 -4.920 7.117 -2.510 1.00 0.00 O ATOM 0 H GLY A 82 -7.983 8.333 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.381 6.409 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.440 7.200 -2.535 1.00 0.00 H new ATOM 967 N SER A 83 -5.010 7.832 -0.378 1.00 0.00 N ATOM 968 CA SER A 83 -3.564 7.973 -0.260 1.00 0.00 C ATOM 969 C SER A 83 -3.030 7.122 0.888 1.00 0.00 C ATOM 970 O SER A 83 -3.789 6.432 1.568 1.00 0.00 O ATOM 971 CB SER A 83 -3.191 9.440 -0.031 1.00 0.00 C ATOM 972 OG SER A 83 -1.815 9.661 -0.286 1.00 0.00 O ATOM 0 H SER A 83 -5.532 8.077 0.464 1.00 0.00 H new ATOM 0 HA SER A 83 -3.113 7.629 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.791 10.077 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.424 9.722 0.996 1.00 0.00 H new ATOM 0 HG SER A 83 -1.476 8.960 -0.881 1.00 0.00 H new ATOM 978 N LEU A 84 -1.719 7.178 1.086 1.00 0.00 N ATOM 979 CA LEU A 84 -1.078 6.412 2.149 1.00 0.00 C ATOM 980 C LEU A 84 0.136 7.156 2.704 1.00 0.00 C ATOM 981 O LEU A 84 1.095 7.418 1.970 1.00 0.00 O ATOM 982 CB LEU A 84 -0.658 5.035 1.630 1.00 0.00 C ATOM 983 CG LEU A 84 -0.905 3.877 2.601 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.525 2.693 1.875 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.393 3.466 3.281 1.00 0.00 C ATOM 0 H LEU A 84 -1.080 7.744 0.527 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.799 6.283 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.194 4.833 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.404 5.064 1.384 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.604 4.214 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.693 1.880 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.476 2.993 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.851 2.356 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.199 2.642 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.114 3.148 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.797 4.313 3.836 1.00 0.00 H new ATOM 997 N PHE A 85 0.088 7.497 3.979 1.00 0.00 N ATOM 998 CA PHE A 85 1.184 8.213 4.632 1.00 0.00 C ATOM 999 C PHE A 85 1.768 7.395 5.780 1.00 0.00 C ATOM 1000 O PHE A 85 1.048 6.979 6.679 1.00 0.00 O ATOM 1001 CB PHE A 85 0.694 9.569 5.141 1.00 0.00 C ATOM 1002 CG PHE A 85 1.736 10.339 5.905 1.00 0.00 C ATOM 1003 CD1 PHE A 85 3.012 10.503 5.390 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.436 10.899 7.144 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.970 11.212 6.090 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.390 11.608 7.841 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.659 11.765 7.317 1.00 0.00 C ATOM 0 H PHE A 85 -0.701 7.291 4.592 1.00 0.00 H new ATOM 0 HA PHE A 85 1.974 8.372 3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.362 10.167 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.174 9.415 5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.261 10.072 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.448 10.777 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.961 11.334 5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.145 12.042 8.799 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.406 12.319 7.866 1.00 0.00 H new ATOM 1017 N LEU A 86 3.076 7.170 5.732 1.00 0.00 N ATOM 1018 CA LEU A 86 3.756 6.404 6.762 1.00 0.00 C ATOM 1019 C LEU A 86 4.562 7.327 7.684 1.00 0.00 C ATOM 1020 O LEU A 86 5.378 8.118 7.201 1.00 0.00 O ATOM 1021 CB LEU A 86 4.677 5.356 6.136 1.00 0.00 C ATOM 1022 CG LEU A 86 4.395 3.912 6.545 1.00 0.00 C ATOM 1023 CD1 LEU A 86 4.584 2.968 5.367 1.00 0.00 C ATOM 1024 CD2 LEU A 86 5.295 3.506 7.703 1.00 0.00 C ATOM 0 H LEU A 86 3.685 7.509 4.988 1.00 0.00 H new ATOM 0 HA LEU A 86 2.998 5.894 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.601 5.431 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.707 5.597 6.400 1.00 0.00 H new ATOM 0 HG LEU A 86 3.357 3.845 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.377 1.946 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.900 3.245 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.611 3.036 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.083 2.474 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.339 3.593 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.109 4.160 8.555 1.00 0.00 H new ATOM 1036 N PRO A 87 4.348 7.244 9.002 1.00 0.00 N ATOM 1037 CA PRO A 87 5.066 8.083 9.976 1.00 0.00 C ATOM 1038 C PRO A 87 6.579 7.948 9.835 1.00 0.00 C ATOM 1039 O PRO A 87 7.314 8.928 9.962 1.00 0.00 O ATOM 1040 CB PRO A 87 4.601 7.551 11.326 1.00 0.00 C ATOM 1041 CG PRO A 87 3.293 6.895 11.053 1.00 0.00 C ATOM 1042 CD PRO A 87 3.396 6.333 9.672 1.00 0.00 C ATOM 0 HA PRO A 87 4.857 9.144 9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.319 6.843 11.739 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.494 8.357 12.052 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.091 6.109 11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.475 7.612 11.123 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.762 5.306 9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.429 6.322 9.169 1.00 0.00 H new ATOM 1050 N ALA A 88 7.038 6.728 9.577 1.00 0.00 N ATOM 1051 CA ALA A 88 8.464 6.465 9.426 1.00 0.00 C ATOM 1052 C ALA A 88 8.706 5.123 8.743 1.00 0.00 C ATOM 1053 O ALA A 88 8.619 4.069 9.374 1.00 0.00 O ATOM 1054 CB ALA A 88 9.152 6.501 10.782 1.00 0.00 C ATOM 0 H ALA A 88 6.443 5.906 9.468 1.00 0.00 H new ATOM 0 HA ALA A 88 8.888 7.245 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.216 6.303 10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.017 7.484 11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.716 5.741 11.431 1.00 0.00 H new ATOM 1060 N VAL A 89 9.016 5.169 7.460 1.00 0.00 N ATOM 1061 CA VAL A 89 9.276 3.956 6.685 1.00 0.00 C ATOM 1062 C VAL A 89 10.672 3.418 6.978 1.00 0.00 C ATOM 1063 O VAL A 89 11.671 4.070 6.678 1.00 0.00 O ATOM 1064 CB VAL A 89 9.134 4.208 5.170 1.00 0.00 C ATOM 1065 CG1 VAL A 89 10.154 5.235 4.704 1.00 0.00 C ATOM 1066 CG2 VAL A 89 9.275 2.907 4.394 1.00 0.00 C ATOM 0 H VAL A 89 9.096 6.034 6.925 1.00 0.00 H new ATOM 0 HA VAL A 89 8.531 3.219 6.985 1.00 0.00 H new ATOM 0 HB VAL A 89 8.138 4.607 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.040 5.401 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.995 6.173 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.160 4.868 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.172 3.107 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.255 2.472 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.499 2.209 4.709 1.00 0.00 H new ATOM 1076 N GLY A 90 10.735 2.231 7.580 1.00 0.00 N ATOM 1077 CA GLY A 90 12.016 1.632 7.899 1.00 0.00 C ATOM 1078 C GLY A 90 12.303 0.383 7.096 1.00 0.00 C ATOM 1079 O GLY A 90 11.695 0.160 6.048 1.00 0.00 O ATOM 0 H GLY A 90 9.922 1.677 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.806 2.361 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.042 1.388 8.961 1.00 0.00 H new ATOM 1083 N ILE A 91 13.233 -0.433 7.574 1.00 0.00 N ATOM 1084 CA ILE A 91 13.603 -1.667 6.890 1.00 0.00 C ATOM 1085 C ILE A 91 12.428 -2.635 6.826 1.00 0.00 C ATOM 1086 O ILE A 91 12.256 -3.353 5.841 1.00 0.00 O ATOM 1087 CB ILE A 91 14.788 -2.361 7.589 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.519 -2.504 9.096 1.00 0.00 C ATOM 1089 CG2 ILE A 91 16.075 -1.586 7.349 1.00 0.00 C ATOM 1090 CD1 ILE A 91 15.470 -3.452 9.786 1.00 0.00 C ATOM 0 H ILE A 91 13.748 -0.262 8.438 1.00 0.00 H new ATOM 0 HA ILE A 91 13.897 -1.391 5.877 1.00 0.00 H new ATOM 0 HB ILE A 91 14.901 -3.359 7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.591 -1.523 9.565 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.497 -2.854 9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.902 -2.090 7.850 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.275 -1.536 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.971 -0.576 7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.224 -3.506 10.847 1.00 0.00 H new ATOM 0 HD12 ILE A 91 15.381 -4.443 9.342 1.00 0.00 H new ATOM 0 HD13 ILE A 91 16.492 -3.092 9.668 1.00 0.00 H new ATOM 1102 N GLN A 92 11.621 -2.651 7.881 1.00 0.00 N ATOM 1103 CA GLN A 92 10.460 -3.531 7.943 1.00 0.00 C ATOM 1104 C GLN A 92 9.414 -3.126 6.909 1.00 0.00 C ATOM 1105 O GLN A 92 8.622 -3.951 6.464 1.00 0.00 O ATOM 1106 CB GLN A 92 9.847 -3.504 9.352 1.00 0.00 C ATOM 1107 CG GLN A 92 10.864 -3.689 10.457 1.00 0.00 C ATOM 1108 CD GLN A 92 11.032 -2.445 11.309 1.00 0.00 C ATOM 1109 OE1 GLN A 92 10.053 -1.825 11.722 1.00 0.00 O ATOM 1110 NE2 GLN A 92 12.279 -2.072 11.574 1.00 0.00 N ATOM 0 H GLN A 92 11.750 -2.064 8.705 1.00 0.00 H new ATOM 0 HA GLN A 92 10.790 -4.545 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.333 -2.554 9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.094 -4.289 9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.558 -4.521 11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.825 -3.958 10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.062 -2.616 11.211 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.454 -1.242 12.140 1.00 0.00 H new ATOM 1119 N ASP A 93 9.416 -1.847 6.542 1.00 0.00 N ATOM 1120 CA ASP A 93 8.466 -1.332 5.572 1.00 0.00 C ATOM 1121 C ASP A 93 8.875 -1.717 4.143 1.00 0.00 C ATOM 1122 O ASP A 93 8.035 -1.786 3.247 1.00 0.00 O ATOM 1123 CB ASP A 93 8.360 0.190 5.688 1.00 0.00 C ATOM 1124 CG ASP A 93 7.266 0.620 6.639 1.00 0.00 C ATOM 1125 OD1 ASP A 93 7.549 0.731 7.850 1.00 0.00 O ATOM 1126 OD2 ASP A 93 6.128 0.846 6.184 1.00 0.00 O ATOM 0 H ASP A 93 10.068 -1.151 6.905 1.00 0.00 H new ATOM 0 HA ASP A 93 7.494 -1.777 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.314 0.593 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.169 0.614 4.702 1.00 0.00 H new ATOM 1131 N GLU A 94 10.168 -1.966 3.952 1.00 0.00 N ATOM 1132 CA GLU A 94 10.681 -2.342 2.629 1.00 0.00 C ATOM 1133 C GLU A 94 9.845 -3.461 2.009 1.00 0.00 C ATOM 1134 O GLU A 94 8.959 -4.019 2.664 1.00 0.00 O ATOM 1135 CB GLU A 94 12.141 -2.785 2.734 1.00 0.00 C ATOM 1136 CG GLU A 94 13.069 -1.706 3.265 1.00 0.00 C ATOM 1137 CD GLU A 94 14.510 -2.170 3.354 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.871 -2.794 4.375 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.276 -1.909 2.412 1.00 0.00 O ATOM 0 H GLU A 94 10.876 -1.916 4.685 1.00 0.00 H new ATOM 0 HA GLU A 94 10.614 -1.466 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.201 -3.657 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.488 -3.098 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.012 -0.831 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.730 -1.394 4.253 1.00 0.00 H new ATOM 1146 N GLY A 95 10.134 -3.781 0.760 1.00 0.00 N ATOM 1147 CA GLY A 95 9.401 -4.829 0.065 1.00 0.00 C ATOM 1148 C GLY A 95 8.674 -4.318 -1.147 1.00 0.00 C ATOM 1149 O GLY A 95 9.046 -3.290 -1.715 1.00 0.00 O ATOM 0 H GLY A 95 10.866 -3.335 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.094 -5.614 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.684 -5.282 0.750 1.00 0.00 H new ATOM 1153 N ILE A 96 7.634 -5.036 -1.561 1.00 0.00 N ATOM 1154 CA ILE A 96 6.853 -4.649 -2.729 1.00 0.00 C ATOM 1155 C ILE A 96 5.373 -4.522 -2.383 1.00 0.00 C ATOM 1156 O ILE A 96 4.756 -5.469 -1.904 1.00 0.00 O ATOM 1157 CB ILE A 96 7.015 -5.666 -3.877 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.496 -5.945 -4.141 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.333 -5.155 -5.139 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.809 -7.412 -4.348 1.00 0.00 C ATOM 0 H ILE A 96 7.313 -5.889 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 96 7.232 -3.681 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 96 6.538 -6.600 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.811 -5.387 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.083 -5.572 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.456 -5.884 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.271 -5.006 -4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.783 -4.208 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.877 -7.534 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.526 -7.974 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.250 -7.786 -5.206 1.00 0.00 H new ATOM 1172 N PHE A 97 4.809 -3.346 -2.641 1.00 0.00 N ATOM 1173 CA PHE A 97 3.400 -3.095 -2.358 1.00 0.00 C ATOM 1174 C PHE A 97 2.561 -3.233 -3.623 1.00 0.00 C ATOM 1175 O PHE A 97 3.085 -3.181 -4.735 1.00 0.00 O ATOM 1176 CB PHE A 97 3.220 -1.699 -1.768 1.00 0.00 C ATOM 1177 CG PHE A 97 3.979 -1.493 -0.488 1.00 0.00 C ATOM 1178 CD1 PHE A 97 3.449 -1.913 0.714 1.00 0.00 C ATOM 1179 CD2 PHE A 97 5.221 -0.881 -0.486 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.144 -1.726 1.893 1.00 0.00 C ATOM 1181 CE2 PHE A 97 5.922 -0.691 0.674 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.383 -1.114 1.873 1.00 0.00 C ATOM 0 H PHE A 97 5.306 -2.552 -3.045 1.00 0.00 H new ATOM 0 HA PHE A 97 3.062 -3.836 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.546 -0.958 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.160 -1.523 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.482 -2.393 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.646 -0.546 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.720 -2.058 2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.890 -0.213 0.652 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.929 -0.967 2.793 1.00 0.00 H new ATOM 1192 N ARG A 98 1.256 -3.414 -3.447 1.00 0.00 N ATOM 1193 CA ARG A 98 0.349 -3.564 -4.579 1.00 0.00 C ATOM 1194 C ARG A 98 -1.047 -3.049 -4.239 1.00 0.00 C ATOM 1195 O ARG A 98 -1.477 -3.102 -3.087 1.00 0.00 O ATOM 1196 CB ARG A 98 0.275 -5.034 -5.003 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.723 -5.302 -6.118 1.00 0.00 C ATOM 1198 CD ARG A 98 -0.254 -6.424 -7.031 1.00 0.00 C ATOM 1199 NE ARG A 98 -1.088 -7.618 -6.912 1.00 0.00 N ATOM 1200 CZ ARG A 98 -2.346 -7.693 -7.331 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -2.922 -6.646 -7.910 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -3.032 -8.817 -7.178 1.00 0.00 N ATOM 0 H ARG A 98 0.804 -3.460 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 98 0.739 -2.970 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.264 -5.359 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.009 -5.639 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.690 -5.563 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.869 -4.394 -6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.264 -6.077 -8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.778 -6.678 -6.790 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.678 -8.446 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.398 -5.780 -8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.888 -6.708 -8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.594 -9.626 -6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.998 -8.873 -7.500 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.749 -2.556 -5.254 1.00 0.00 N ATOM 1217 CA CYS A 99 -3.099 -2.035 -5.071 1.00 0.00 C ATOM 1218 C CYS A 99 -4.129 -3.013 -5.626 1.00 0.00 C ATOM 1219 O CYS A 99 -3.828 -3.800 -6.532 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.242 -0.676 -5.758 1.00 0.00 C ATOM 1221 SG CYS A 99 -2.983 0.747 -4.649 1.00 0.00 S ATOM 0 H CYS A 99 -1.405 -2.506 -6.213 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.277 -1.910 -4.003 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.527 -0.618 -6.579 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.237 -0.605 -6.197 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.343 -2.963 -5.096 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.409 -3.851 -5.534 1.00 0.00 C ATOM 1228 C GLN A 100 -7.782 -3.236 -5.275 1.00 0.00 C ATOM 1229 O GLN A 100 -7.991 -2.559 -4.276 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.303 -5.203 -4.826 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.665 -6.383 -5.713 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.107 -7.695 -5.194 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -4.892 -7.885 -5.144 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -6.994 -8.606 -4.815 1.00 0.00 N ATOM 0 H GLN A 100 -5.614 -2.313 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.297 -4.000 -6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.285 -5.333 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.957 -5.200 -3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.750 -6.458 -5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.288 -6.205 -6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.992 -8.402 -4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.678 -9.510 -4.464 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.712 -3.481 -6.190 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.067 -2.959 -6.066 1.00 0.00 C ATOM 1245 C ALA A 101 -11.095 -4.034 -6.403 1.00 0.00 C ATOM 1246 O ALA A 101 -10.777 -5.022 -7.062 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.252 -1.747 -6.976 1.00 0.00 C ATOM 0 H ALA A 101 -8.552 -4.040 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.221 -2.650 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.268 -1.367 -6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.543 -0.968 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.076 -2.039 -8.011 1.00 0.00 H new ATOM 1253 N MET A 102 -12.327 -3.836 -5.946 1.00 0.00 N ATOM 1254 CA MET A 102 -13.397 -4.793 -6.202 1.00 0.00 C ATOM 1255 C MET A 102 -14.557 -4.129 -6.937 1.00 0.00 C ATOM 1256 O MET A 102 -15.242 -3.268 -6.386 1.00 0.00 O ATOM 1257 CB MET A 102 -13.892 -5.398 -4.896 1.00 0.00 C ATOM 1258 CG MET A 102 -14.658 -6.699 -5.065 1.00 0.00 C ATOM 1259 SD MET A 102 -13.686 -8.147 -4.611 1.00 0.00 S ATOM 1260 CE MET A 102 -13.885 -9.163 -6.073 1.00 0.00 C ATOM 0 H MET A 102 -12.609 -3.023 -5.398 1.00 0.00 H new ATOM 0 HA MET A 102 -12.995 -5.586 -6.832 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.037 -5.575 -4.243 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.533 -4.674 -4.393 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.560 -6.666 -4.453 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.980 -6.794 -6.102 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.626 -10.195 -5.837 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.921 -9.117 -6.410 1.00 0.00 H new ATOM 0 HE3 MET A 102 -13.230 -8.796 -6.863 1.00 0.00 H new ATOM 1270 N ASN A 103 -14.772 -4.537 -8.183 1.00 0.00 N ATOM 1271 CA ASN A 103 -15.851 -3.982 -9.000 1.00 0.00 C ATOM 1272 C ASN A 103 -17.103 -4.848 -8.904 1.00 0.00 C ATOM 1273 O ASN A 103 -17.129 -5.839 -8.167 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.409 -3.860 -10.460 1.00 0.00 C ATOM 1275 CG ASN A 103 -15.999 -2.642 -11.134 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -16.020 -1.548 -10.571 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -16.485 -2.826 -12.364 1.00 0.00 N ATOM 0 H ASN A 103 -14.214 -5.251 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.087 -2.988 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -14.321 -3.808 -10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -15.708 -4.756 -11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -16.894 -2.042 -12.873 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.448 -3.750 -12.794 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.139 -4.468 -9.637 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.395 -5.209 -9.644 1.00 0.00 C ATOM 1286 C ARG A 104 -19.172 -6.663 -10.041 1.00 0.00 C ATOM 1287 O ARG A 104 -19.898 -7.558 -9.606 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.400 -4.552 -10.592 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.194 -3.426 -9.942 1.00 0.00 C ATOM 1290 CD ARG A 104 -21.853 -2.538 -10.985 1.00 0.00 C ATOM 1291 NE ARG A 104 -21.183 -1.243 -11.112 1.00 0.00 N ATOM 1292 CZ ARG A 104 -20.219 -0.979 -11.992 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -19.802 -1.911 -12.840 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -19.668 0.228 -12.024 1.00 0.00 N ATOM 0 H ARG A 104 -18.135 -3.645 -10.239 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.800 -5.190 -8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -19.868 -4.159 -11.459 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.092 -5.310 -10.959 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -21.956 -3.848 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.533 -2.826 -9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -21.844 -3.046 -11.950 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -22.898 -2.380 -10.717 1.00 0.00 H new ATOM 0 HE ARG A 104 -21.474 -0.493 -10.485 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -20.221 -2.841 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -19.063 -1.697 -13.510 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -19.983 0.950 -11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -18.929 0.434 -12.697 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.165 -6.892 -10.877 1.00 0.00 N ATOM 1309 CA ASN A 105 -17.846 -8.238 -11.348 1.00 0.00 C ATOM 1310 C ASN A 105 -16.659 -8.817 -10.575 1.00 0.00 C ATOM 1311 O ASN A 105 -16.485 -10.033 -10.511 1.00 0.00 O ATOM 1312 CB ASN A 105 -17.542 -8.224 -12.839 1.00 0.00 C ATOM 1313 CG ASN A 105 -18.789 -8.038 -13.681 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -19.207 -8.945 -14.401 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -19.391 -6.858 -13.595 1.00 0.00 N ATOM 0 H ASN A 105 -17.554 -6.162 -11.244 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.715 -8.872 -11.173 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.837 -7.421 -13.056 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.055 -9.159 -13.117 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.234 -6.675 -14.139 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.010 -6.134 -12.985 1.00 0.00 H new ATOM 1322 N GLY A 106 -15.843 -7.940 -9.997 1.00 0.00 N ATOM 1323 CA GLY A 106 -14.684 -8.387 -9.247 1.00 0.00 C ATOM 1324 C GLY A 106 -13.380 -7.985 -9.907 1.00 0.00 C ATOM 1325 O GLY A 106 -12.374 -8.685 -9.796 1.00 0.00 O ATOM 0 H GLY A 106 -15.964 -6.928 -10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.723 -7.970 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.717 -9.472 -9.144 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.398 -6.855 -10.606 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.211 -6.358 -11.289 1.00 0.00 C ATOM 1331 C LYS A 107 -11.227 -5.744 -10.304 1.00 0.00 C ATOM 1332 O LYS A 107 -11.622 -5.018 -9.392 1.00 0.00 O ATOM 1333 CB LYS A 107 -12.603 -5.326 -12.360 1.00 0.00 C ATOM 1334 CG LYS A 107 -11.421 -4.582 -12.960 1.00 0.00 C ATOM 1335 CD LYS A 107 -11.852 -3.685 -14.102 1.00 0.00 C ATOM 1336 CE LYS A 107 -10.656 -3.184 -14.904 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.071 -2.469 -16.135 1.00 0.00 N ATOM 0 H LYS A 107 -14.224 -6.266 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.723 -7.204 -11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.144 -5.833 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.289 -4.603 -11.920 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.937 -3.983 -12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.682 -5.299 -13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.528 -4.231 -14.759 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.408 -2.835 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.057 -2.518 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.020 -4.028 -15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.227 -2.146 -16.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.621 -3.111 -16.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.656 -1.648 -15.879 1.00 0.00 H new ATOM 1351 N GLU A 108 -9.946 -6.043 -10.483 1.00 0.00 N ATOM 1352 CA GLU A 108 -8.898 -5.525 -9.609 1.00 0.00 C ATOM 1353 C GLU A 108 -7.912 -4.668 -10.404 1.00 0.00 C ATOM 1354 O GLU A 108 -7.679 -4.905 -11.582 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.161 -6.677 -8.925 1.00 0.00 C ATOM 1356 CG GLU A 108 -7.756 -7.790 -9.878 1.00 0.00 C ATOM 1357 CD GLU A 108 -7.112 -8.963 -9.163 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -5.977 -8.806 -8.670 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -7.746 -10.037 -9.099 1.00 0.00 O ATOM 0 H GLU A 108 -9.605 -6.646 -11.231 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.363 -4.902 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.269 -6.287 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.798 -7.092 -8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.636 -8.138 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.061 -7.394 -10.619 1.00 0.00 H new ATOM 1366 N THR A 109 -7.336 -3.670 -9.731 1.00 0.00 N ATOM 1367 CA THR A 109 -6.375 -2.780 -10.374 1.00 0.00 C ATOM 1368 C THR A 109 -4.947 -3.252 -10.132 1.00 0.00 C ATOM 1369 O THR A 109 -4.509 -3.359 -8.978 1.00 0.00 O ATOM 1370 CB THR A 109 -6.551 -1.349 -9.862 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.692 -0.460 -10.554 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.267 -1.204 -8.383 1.00 0.00 C ATOM 0 H THR A 109 -7.518 -3.461 -8.749 1.00 0.00 H new ATOM 0 HA THR A 109 -6.563 -2.798 -11.447 1.00 0.00 H new ATOM 0 HB THR A 109 -7.598 -1.105 -10.040 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.489 -0.825 -11.440 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.410 -0.165 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.947 -1.841 -7.818 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.238 -1.501 -8.179 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.226 -3.537 -11.212 1.00 0.00 N ATOM 1381 CA LYS A 110 -2.847 -4.002 -11.112 1.00 0.00 C ATOM 1382 C LYS A 110 -1.894 -2.842 -10.830 1.00 0.00 C ATOM 1383 O LYS A 110 -2.002 -1.777 -11.448 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.437 -4.724 -12.390 1.00 0.00 C ATOM 1385 CG LYS A 110 -1.782 -6.074 -12.146 1.00 0.00 C ATOM 1386 CD LYS A 110 -0.283 -5.938 -11.926 1.00 0.00 C ATOM 1387 CE LYS A 110 0.508 -6.626 -13.027 1.00 0.00 C ATOM 1388 NZ LYS A 110 0.757 -5.719 -14.182 1.00 0.00 N ATOM 0 H LYS A 110 -4.574 -3.454 -12.167 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.786 -4.700 -10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.318 -4.865 -13.016 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.748 -4.091 -12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.236 -6.547 -11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.967 -6.728 -12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.014 -4.882 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.016 -6.369 -10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.460 -6.974 -12.627 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.035 -7.507 -13.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.664 -6.253 -15.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.064 -4.944 -14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.717 -5.325 -14.114 1.00 0.00 H new ATOM 1402 N SER A 111 -0.959 -3.061 -9.913 1.00 0.00 N ATOM 1403 CA SER A 111 0.020 -2.042 -9.564 1.00 0.00 C ATOM 1404 C SER A 111 1.100 -2.628 -8.660 1.00 0.00 C ATOM 1405 O SER A 111 0.800 -3.213 -7.611 1.00 0.00 O ATOM 1406 CB SER A 111 -0.666 -0.866 -8.857 1.00 0.00 C ATOM 1407 OG SER A 111 -1.002 0.153 -9.792 1.00 0.00 O ATOM 0 H SER A 111 -0.859 -3.936 -9.398 1.00 0.00 H new ATOM 0 HA SER A 111 0.485 -1.683 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.566 -1.214 -8.351 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.006 -0.460 -8.090 1.00 0.00 H new ATOM 0 HG SER A 111 -1.420 -0.252 -10.580 1.00 0.00 H new ATOM 1413 N ASN A 112 2.356 -2.473 -9.064 1.00 0.00 N ATOM 1414 CA ASN A 112 3.476 -2.993 -8.288 1.00 0.00 C ATOM 1415 C ASN A 112 4.516 -1.907 -8.023 1.00 0.00 C ATOM 1416 O ASN A 112 5.136 -1.393 -8.954 1.00 0.00 O ATOM 1417 CB ASN A 112 4.122 -4.172 -9.009 1.00 0.00 C ATOM 1418 CG ASN A 112 4.911 -5.068 -8.074 1.00 0.00 C ATOM 1419 OD1 ASN A 112 6.139 -5.003 -8.022 1.00 0.00 O ATOM 1420 ND2 ASN A 112 4.206 -5.911 -7.326 1.00 0.00 N ATOM 0 H ASN A 112 2.624 -1.992 -9.923 1.00 0.00 H new ATOM 0 HA ASN A 112 3.087 -3.334 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.348 -4.760 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.783 -3.797 -9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.682 -6.537 -6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.189 -5.931 -7.401 1.00 0.00 H new ATOM 1427 N TYR A 113 4.700 -1.562 -6.760 1.00 0.00 N ATOM 1428 CA TYR A 113 5.665 -0.537 -6.376 1.00 0.00 C ATOM 1429 C TYR A 113 6.753 -1.123 -5.474 1.00 0.00 C ATOM 1430 O TYR A 113 6.462 -1.794 -4.492 1.00 0.00 O ATOM 1431 CB TYR A 113 4.959 0.612 -5.646 1.00 0.00 C ATOM 1432 CG TYR A 113 4.130 1.486 -6.559 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.128 0.940 -7.360 1.00 0.00 C ATOM 1434 CD2 TYR A 113 4.349 2.855 -6.636 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.369 1.735 -8.196 1.00 0.00 C ATOM 1436 CE2 TYR A 113 3.593 3.658 -7.462 1.00 0.00 C ATOM 1437 CZ TYR A 113 2.605 3.093 -8.239 1.00 0.00 C ATOM 1438 OH TYR A 113 1.849 3.889 -9.071 1.00 0.00 O ATOM 0 H TYR A 113 4.193 -1.977 -5.978 1.00 0.00 H new ATOM 0 HA TYR A 113 6.130 -0.156 -7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.316 0.198 -4.869 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.706 1.228 -5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 113 2.942 -0.123 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 113 5.129 3.300 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.597 1.297 -8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.773 4.722 -7.500 1.00 0.00 H new ATOM 0 HH TYR A 113 2.139 4.821 -8.984 1.00 0.00 H new ATOM 1448 N ARG A 114 8.007 -0.865 -5.831 1.00 0.00 N ATOM 1449 CA ARG A 114 9.140 -1.365 -5.068 1.00 0.00 C ATOM 1450 C ARG A 114 9.725 -0.267 -4.179 1.00 0.00 C ATOM 1451 O ARG A 114 10.211 0.749 -4.679 1.00 0.00 O ATOM 1452 CB ARG A 114 10.217 -1.915 -5.997 1.00 0.00 C ATOM 1453 CG ARG A 114 10.876 -3.186 -5.487 1.00 0.00 C ATOM 1454 CD ARG A 114 11.472 -2.988 -4.103 1.00 0.00 C ATOM 1455 NE ARG A 114 11.792 -4.259 -3.457 1.00 0.00 N ATOM 1456 CZ ARG A 114 12.361 -4.359 -2.258 1.00 0.00 C ATOM 1457 NH1 ARG A 114 12.675 -3.266 -1.580 1.00 0.00 N ATOM 1458 NH2 ARG A 114 12.618 -5.554 -1.752 1.00 0.00 N ATOM 0 H ARG A 114 8.263 -0.310 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 114 8.782 -2.174 -4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.775 -2.113 -6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.983 -1.153 -6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.141 -3.991 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.658 -3.495 -6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.376 -2.383 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.769 -2.433 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 114 11.566 -5.120 -3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 114 12.481 -2.346 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 114 13.111 -3.343 -0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.380 -6.393 -2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.054 -5.636 -0.834 1.00 0.00 H new ATOM 1472 N VAL A 115 9.675 -0.476 -2.876 1.00 0.00 N ATOM 1473 CA VAL A 115 10.200 0.498 -1.918 1.00 0.00 C ATOM 1474 C VAL A 115 11.410 -0.053 -1.174 1.00 0.00 C ATOM 1475 O VAL A 115 11.355 -1.140 -0.597 1.00 0.00 O ATOM 1476 CB VAL A 115 9.130 0.916 -0.900 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.623 2.083 -0.051 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.826 1.267 -1.591 1.00 0.00 C ATOM 0 H VAL A 115 9.276 -1.312 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 115 10.503 1.372 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 115 8.942 0.068 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.850 2.364 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.524 1.787 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.847 2.933 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.086 1.559 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.991 2.094 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.462 0.400 -2.143 1.00 0.00 H new ATOM 1488 N ARG A 116 12.503 0.703 -1.189 1.00 0.00 N ATOM 1489 CA ARG A 116 13.727 0.290 -0.513 1.00 0.00 C ATOM 1490 C ARG A 116 14.284 1.424 0.325 1.00 0.00 C ATOM 1491 O ARG A 116 14.136 2.599 0.003 1.00 0.00 O ATOM 1492 CB ARG A 116 14.773 -0.154 -1.537 1.00 0.00 C ATOM 1493 CG ARG A 116 16.022 -0.753 -0.909 1.00 0.00 C ATOM 1494 CD ARG A 116 15.782 -2.179 -0.442 1.00 0.00 C ATOM 1495 NE ARG A 116 15.990 -3.149 -1.515 1.00 0.00 N ATOM 1496 CZ ARG A 116 17.189 -3.566 -1.915 1.00 0.00 C ATOM 1497 NH1 ARG A 116 18.289 -3.100 -1.344 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.289 -4.450 -2.898 1.00 0.00 N ATOM 0 H ARG A 116 12.566 1.605 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 116 13.488 -0.547 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.325 -0.888 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.058 0.703 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.837 -0.738 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.335 -0.140 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.452 -2.406 0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.764 -2.270 -0.063 1.00 0.00 H new ATOM 0 HE ARG A 116 15.168 -3.529 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.222 -2.416 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.203 -3.426 -1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 116 16.447 -4.810 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.208 -4.770 -3.205 1.00 0.00 H new ATOM 1512 N VAL A 117 14.924 1.067 1.434 1.00 0.00 N ATOM 1513 CA VAL A 117 15.501 2.057 2.334 1.00 0.00 C ATOM 1514 C VAL A 117 16.980 2.282 2.040 1.00 0.00 C ATOM 1515 O VAL A 117 17.625 1.452 1.394 1.00 0.00 O ATOM 1516 CB VAL A 117 15.339 1.641 3.810 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.873 1.398 4.139 1.00 0.00 C ATOM 1518 CG2 VAL A 117 16.175 0.405 4.128 1.00 0.00 C ATOM 0 H VAL A 117 15.056 0.100 1.730 1.00 0.00 H new ATOM 0 HA VAL A 117 14.957 2.986 2.164 1.00 0.00 H new ATOM 0 HB VAL A 117 15.702 2.459 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.778 1.105 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.305 2.312 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.484 0.603 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 117 16.041 0.135 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.855 -0.423 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 117 17.227 0.619 3.940 1.00 0.00 H new ATOM 1528 N TYR A 118 17.509 3.412 2.493 1.00 0.00 N ATOM 1529 CA TYR A 118 18.913 3.748 2.280 1.00 0.00 C ATOM 1530 C TYR A 118 19.828 2.615 2.733 1.00 0.00 C ATOM 1531 O TYR A 118 20.367 1.869 1.915 1.00 0.00 O ATOM 1532 CB TYR A 118 19.270 5.041 3.010 1.00 0.00 C ATOM 1533 CG TYR A 118 19.306 6.259 2.124 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.183 6.651 1.408 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.463 7.018 1.996 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.210 7.764 0.581 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.498 8.133 1.180 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.370 8.501 0.470 1.00 0.00 C ATOM 1539 OH TYR A 118 19.400 9.611 -0.327 1.00 0.00 O ATOM 0 H TYR A 118 16.984 4.115 3.013 1.00 0.00 H new ATOM 0 HA TYR A 118 19.062 3.895 1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.546 5.207 3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.244 4.921 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.271 6.079 1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.349 6.732 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.328 8.052 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.404 8.715 1.097 1.00 0.00 H new ATOM 0 HH TYR A 118 20.292 10.015 -0.292 1.00 0.00 H new ATOM 1549 N GLN A 119 19.998 2.494 4.045 1.00 0.00 N ATOM 1550 CA GLN A 119 20.848 1.453 4.614 1.00 0.00 C ATOM 1551 C GLN A 119 20.015 0.415 5.359 1.00 0.00 C ATOM 1552 O GLN A 119 18.995 0.744 5.965 1.00 0.00 O ATOM 1553 CB GLN A 119 21.881 2.071 5.559 1.00 0.00 C ATOM 1554 CG GLN A 119 22.649 3.230 4.946 1.00 0.00 C ATOM 1555 CD GLN A 119 24.144 2.983 4.902 1.00 0.00 C ATOM 1556 OE1 GLN A 119 24.713 2.736 3.838 1.00 0.00 O ATOM 1557 NE2 GLN A 119 24.789 3.049 6.068 1.00 0.00 N ATOM 0 H GLN A 119 19.559 3.104 4.735 1.00 0.00 H new ATOM 0 HA GLN A 119 21.367 0.954 3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 119 21.375 2.417 6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 119 22.587 1.300 5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 119 22.284 3.408 3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.451 4.135 5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 119 24.275 3.257 6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 119 25.796 2.892 6.103 1.00 0.00 H new ATOM 1566 N ILE A 120 20.457 -0.837 5.311 1.00 0.00 N ATOM 1567 CA ILE A 120 19.750 -1.924 5.983 1.00 0.00 C ATOM 1568 C ILE A 120 20.603 -2.522 7.101 1.00 0.00 C ATOM 1569 O ILE A 120 21.543 -3.273 6.838 1.00 0.00 O ATOM 1570 CB ILE A 120 19.351 -3.047 5.001 1.00 0.00 C ATOM 1571 CG1 ILE A 120 20.307 -3.081 3.806 1.00 0.00 C ATOM 1572 CG2 ILE A 120 17.916 -2.852 4.533 1.00 0.00 C ATOM 1573 CD1 ILE A 120 19.922 -4.090 2.752 1.00 0.00 C ATOM 0 H ILE A 120 21.300 -1.125 4.815 1.00 0.00 H new ATOM 0 HA ILE A 120 18.843 -1.491 6.405 1.00 0.00 H new ATOM 0 HB ILE A 120 19.420 -4.003 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 120 20.344 -2.090 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 120 21.312 -3.306 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 120 17.647 -3.650 3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 120 17.246 -2.876 5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 120 17.825 -1.890 4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 120 20.644 -4.058 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 120 19.913 -5.088 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 120 18.930 -3.854 2.368 1.00 0.00 H new ATOM 1585 N PRO A 121 20.287 -2.201 8.369 1.00 0.00 N ATOM 1586 CA PRO A 121 21.034 -2.716 9.521 1.00 0.00 C ATOM 1587 C PRO A 121 21.156 -4.236 9.499 1.00 0.00 C ATOM 1588 O PRO A 121 22.217 -4.736 9.067 1.00 0.00 O ATOM 1589 CB PRO A 121 20.197 -2.266 10.728 1.00 0.00 C ATOM 1590 CG PRO A 121 19.455 -1.068 10.237 1.00 0.00 C ATOM 1591 CD PRO A 121 19.182 -1.313 8.788 1.00 0.00 C ATOM 1592 OXT PRO A 121 20.193 -4.912 9.913 1.00 0.00 O ATOM 0 HA PRO A 121 22.059 -2.345 9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 121 19.514 -3.051 11.053 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.829 -2.020 11.581 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.526 -0.931 10.791 1.00 0.00 H new ATOM 0 HG3 PRO A 121 20.044 -0.161 10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.211 -1.784 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.177 -0.384 8.219 1.00 0.00 H new TER 1600 PRO A 121