USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1072 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 51 THR OG1 : rot 130:sc= 1.07 USER MOD Set 1.2: A 97 MET CE :methyl -120:sc= -2.2 (180deg=-5.48!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -147:sc= -0.368 (180deg=-1.64!) USER MOD Set 2.2: A 38 HIS : no HD1:sc= -4.39! K(o=-4.8!,f=-3.7) USER MOD Set 3.1: A 2 SER OG : rot -40:sc= 0.233 USER MOD Set 3.2: A 103 THR OG1 : rot 171:sc= -0.317! USER MOD Single : A 3 HIS : no HD1:sc=-0.00375 X(o=-0.0038,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= -0.0467 (180deg=-0.405) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0604 X(o=-0.06,f=0) USER MOD Single : A 23 SER OG : rot 50:sc= 0.199 USER MOD Single : A 28 THR OG1 : rot 70:sc= -0.449 USER MOD Single : A 31 SER OG : rot -13:sc= -0.541 USER MOD Single : A 32 THR OG1 : rot 117:sc= -0.125 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc=-0.00665 USER MOD Single : A 44 THR OG1 : rot -40:sc= -0.0547 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.623 K(o=-0.62,f=-6.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 55 SER OG : rot -1:sc= -1.15 USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.224) USER MOD Single : A 58 MET CE :methyl 140:sc= -4.01 (180deg=-4.6!) USER MOD Single : A 59 MET CE :methyl 139:sc= -4.74! (180deg=-7.38!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 51:sc= 0.465 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.202) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 141:sc= -1.41 (180deg=-3.24!) USER MOD Single : A 75 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.9) USER MOD Single : A 78 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= -0.0747 (180deg=-0.414) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -7.21! C(o=-7.2!,f=-6.6!) USER MOD Single : A 88 MET CE :methyl -132:sc= -7.71 (180deg=-17.1!) USER MOD Single : A 90 SER OG : rot 78:sc= 0.977 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.28 K(o=-2.3,f=-3.8) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -156:sc= -0.282 (180deg=-0.737) USER MOD Single : A 105 GLN : amide:sc= -11.5! C(o=-12!,f=-9.2!) USER MOD Single : A 106 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.1!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 111:sc= -2.84 USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.282 (180deg=-1.02) USER MOD Single : B 666 SER OG : rot 180:sc= 0 USER MOD Single : B 675 THR OG1 : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 677 SER OG : rot 180:sc= 0.0637 USER MOD Single : B 678 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 680 SER OG : rot 180:sc= -0.303 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.875 -17.444 -6.978 1.00 0.00 N ATOM 2 CA PRO A 1 -6.482 -16.147 -6.577 1.00 0.00 C ATOM 3 C PRO A 1 -5.601 -15.389 -5.583 1.00 0.00 C ATOM 4 O PRO A 1 -6.096 -14.801 -4.622 1.00 0.00 O ATOM 5 CB PRO A 1 -7.847 -16.449 -5.962 1.00 0.00 C ATOM 6 CG PRO A 1 -7.906 -17.939 -5.905 1.00 0.00 C ATOM 7 CD PRO A 1 -6.954 -18.445 -6.962 1.00 0.00 C ATOM 0 H2 PRO A 1 -5.128 -17.707 -6.335 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.459 -17.376 -7.907 1.00 0.00 H new ATOM 0 HA PRO A 1 -6.583 -15.505 -7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -7.942 -16.009 -4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.655 -16.042 -6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -7.618 -18.301 -4.918 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -8.919 -18.295 -6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -6.575 -19.437 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -7.441 -18.522 -7.934 1.00 0.00 H new ATOM 17 N SER A 2 -4.295 -15.408 -5.825 1.00 0.00 N ATOM 18 CA SER A 2 -3.347 -14.724 -4.953 1.00 0.00 C ATOM 19 C SER A 2 -2.904 -13.398 -5.565 1.00 0.00 C ATOM 20 O SER A 2 -2.726 -12.405 -4.861 1.00 0.00 O ATOM 21 CB SER A 2 -2.129 -15.612 -4.694 1.00 0.00 C ATOM 22 OG SER A 2 -1.624 -15.416 -3.385 1.00 0.00 O ATOM 0 H SER A 2 -3.869 -15.889 -6.617 1.00 0.00 H new ATOM 0 HA SER A 2 -3.845 -14.518 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.403 -16.658 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.351 -15.390 -5.424 1.00 0.00 H new ATOM 0 HG SER A 2 -1.652 -14.462 -3.163 1.00 0.00 H new ATOM 28 N HIS A 3 -2.736 -13.388 -6.884 1.00 0.00 N ATOM 29 CA HIS A 3 -2.319 -12.185 -7.600 1.00 0.00 C ATOM 30 C HIS A 3 -3.504 -11.256 -7.873 1.00 0.00 C ATOM 31 O HIS A 3 -3.420 -10.375 -8.726 1.00 0.00 O ATOM 32 CB HIS A 3 -1.648 -12.566 -8.919 1.00 0.00 C ATOM 33 CG HIS A 3 -0.457 -13.457 -8.749 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.364 -14.708 -9.326 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.696 -13.274 -8.064 1.00 0.00 C ATOM 36 CE1 HIS A 3 0.794 -15.254 -9.001 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.456 -14.406 -8.237 1.00 0.00 N ATOM 0 H HIS A 3 -2.883 -14.202 -7.481 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.608 -11.652 -6.969 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.377 -13.065 -9.557 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.341 -11.657 -9.437 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.968 -12.401 -7.489 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.140 -16.230 -9.309 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.382 -14.565 -7.839 1.00 0.00 H new ATOM 46 N SER A 4 -4.606 -11.449 -7.147 1.00 0.00 N ATOM 47 CA SER A 4 -5.786 -10.612 -7.324 1.00 0.00 C ATOM 48 C SER A 4 -6.602 -10.528 -6.039 1.00 0.00 C ATOM 49 O SER A 4 -6.570 -11.431 -5.203 1.00 0.00 O ATOM 50 CB SER A 4 -6.658 -11.129 -8.470 1.00 0.00 C ATOM 51 OG SER A 4 -6.773 -12.542 -8.429 1.00 0.00 O ATOM 0 H SER A 4 -4.703 -12.174 -6.436 1.00 0.00 H new ATOM 0 HA SER A 4 -5.440 -9.609 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.649 -10.679 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.228 -10.824 -9.424 1.00 0.00 H new ATOM 0 HG SER A 4 -7.337 -12.846 -9.171 1.00 0.00 H new ATOM 57 N GLY A 5 -7.327 -9.426 -5.895 1.00 0.00 N ATOM 58 CA GLY A 5 -8.145 -9.202 -4.721 1.00 0.00 C ATOM 59 C GLY A 5 -8.726 -7.808 -4.733 1.00 0.00 C ATOM 60 O GLY A 5 -8.047 -6.863 -5.116 1.00 0.00 O ATOM 0 H GLY A 5 -7.362 -8.673 -6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.950 -9.936 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.546 -9.344 -3.822 1.00 0.00 H new ATOM 64 N ALA A 6 -9.985 -7.674 -4.345 1.00 0.00 N ATOM 65 CA ALA A 6 -10.637 -6.371 -4.357 1.00 0.00 C ATOM 66 C ALA A 6 -10.324 -5.547 -3.112 1.00 0.00 C ATOM 67 O ALA A 6 -10.216 -6.077 -2.005 1.00 0.00 O ATOM 68 CB ALA A 6 -12.132 -6.546 -4.546 1.00 0.00 C ATOM 0 H ALA A 6 -10.572 -8.443 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.237 -5.806 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.615 -5.569 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.322 -7.053 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.535 -7.143 -3.728 1.00 0.00 H new ATOM 74 N ALA A 7 -10.168 -4.237 -3.315 1.00 0.00 N ATOM 75 CA ALA A 7 -9.854 -3.310 -2.231 1.00 0.00 C ATOM 76 C ALA A 7 -10.390 -1.910 -2.529 1.00 0.00 C ATOM 77 O ALA A 7 -10.861 -1.641 -3.635 1.00 0.00 O ATOM 78 CB ALA A 7 -8.351 -3.265 -2.003 1.00 0.00 C ATOM 0 H ALA A 7 -10.255 -3.793 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.341 -3.668 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.126 -2.571 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.993 -4.260 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.855 -2.932 -2.914 1.00 0.00 H new ATOM 84 N ILE A 8 -10.327 -1.022 -1.536 1.00 0.00 N ATOM 85 CA ILE A 8 -10.818 0.348 -1.698 1.00 0.00 C ATOM 86 C ILE A 8 -9.678 1.337 -1.924 1.00 0.00 C ATOM 87 O ILE A 8 -8.743 1.411 -1.128 1.00 0.00 O ATOM 88 CB ILE A 8 -11.617 0.824 -0.460 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.812 -0.096 -0.142 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.097 2.259 -0.658 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.072 -1.186 -1.161 1.00 0.00 C ATOM 0 H ILE A 8 -9.942 -1.225 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.468 0.325 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.940 0.781 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.644 -0.561 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.709 0.517 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.657 2.580 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.237 2.914 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.740 2.310 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.931 -1.779 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.276 -0.735 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.196 -1.830 -1.237 1.00 0.00 H new ATOM 103 N PHE A 9 -9.780 2.121 -2.993 1.00 0.00 N ATOM 104 CA PHE A 9 -8.772 3.132 -3.291 1.00 0.00 C ATOM 105 C PHE A 9 -9.414 4.498 -3.516 1.00 0.00 C ATOM 106 O PHE A 9 -10.088 4.723 -4.521 1.00 0.00 O ATOM 107 CB PHE A 9 -7.943 2.750 -4.517 1.00 0.00 C ATOM 108 CG PHE A 9 -6.755 3.648 -4.725 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.926 4.978 -5.082 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.467 3.167 -4.560 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.836 5.806 -5.271 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.373 3.991 -4.747 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.558 5.312 -5.103 1.00 0.00 C ATOM 0 H PHE A 9 -10.547 2.076 -3.664 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.111 3.188 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.600 1.721 -4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.577 2.784 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.923 5.371 -5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.315 2.135 -4.282 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.984 6.839 -5.550 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.374 3.602 -4.615 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.705 5.958 -5.250 1.00 0.00 H new ATOM 123 N GLU A 10 -9.180 5.406 -2.575 1.00 0.00 N ATOM 124 CA GLU A 10 -9.708 6.770 -2.651 1.00 0.00 C ATOM 125 C GLU A 10 -11.227 6.800 -2.518 1.00 0.00 C ATOM 126 O GLU A 10 -11.920 7.424 -3.321 1.00 0.00 O ATOM 127 CB GLU A 10 -9.284 7.437 -3.963 1.00 0.00 C ATOM 128 CG GLU A 10 -7.885 8.029 -3.920 1.00 0.00 C ATOM 129 CD GLU A 10 -7.870 9.455 -3.403 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.266 9.668 -2.239 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.462 10.357 -4.165 1.00 0.00 O ATOM 0 H GLU A 10 -8.622 5.222 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.289 7.326 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.334 6.703 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.996 8.226 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.252 7.410 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.453 8.005 -4.921 1.00 0.00 H new ATOM 138 N LYS A 11 -11.739 6.131 -1.489 1.00 0.00 N ATOM 139 CA LYS A 11 -13.178 6.088 -1.231 1.00 0.00 C ATOM 140 C LYS A 11 -13.929 5.264 -2.280 1.00 0.00 C ATOM 141 O LYS A 11 -15.137 5.058 -2.157 1.00 0.00 O ATOM 142 CB LYS A 11 -13.753 7.507 -1.171 1.00 0.00 C ATOM 143 CG LYS A 11 -14.154 7.942 0.230 1.00 0.00 C ATOM 144 CD LYS A 11 -15.544 7.444 0.591 1.00 0.00 C ATOM 145 CE LYS A 11 -15.481 6.207 1.472 1.00 0.00 C ATOM 146 NZ LYS A 11 -14.889 6.505 2.805 1.00 0.00 N ATOM 0 H LYS A 11 -11.177 5.609 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.316 5.599 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.014 8.206 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.624 7.565 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.431 7.561 0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.127 9.030 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.091 8.232 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.098 7.216 -0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.485 5.803 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.890 5.438 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.257 5.831 3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.854 6.420 2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.142 7.473 3.089 1.00 0.00 H new ATOM 160 N VAL A 12 -13.224 4.788 -3.304 1.00 0.00 N ATOM 161 CA VAL A 12 -13.851 3.990 -4.342 1.00 0.00 C ATOM 162 C VAL A 12 -13.563 2.520 -4.129 1.00 0.00 C ATOM 163 O VAL A 12 -12.514 2.147 -3.607 1.00 0.00 O ATOM 164 CB VAL A 12 -13.381 4.412 -5.749 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.679 3.332 -6.787 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.052 5.711 -6.131 1.00 0.00 C ATOM 0 H VAL A 12 -12.224 4.943 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.925 4.162 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.300 4.551 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.334 3.664 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.163 2.412 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.753 3.149 -6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.722 6.012 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.133 5.575 -6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.785 6.484 -5.410 1.00 0.00 H new ATOM 176 N SER A 13 -14.502 1.690 -4.539 1.00 0.00 N ATOM 177 CA SER A 13 -14.347 0.255 -4.392 1.00 0.00 C ATOM 178 C SER A 13 -14.191 -0.418 -5.745 1.00 0.00 C ATOM 179 O SER A 13 -15.118 -0.438 -6.554 1.00 0.00 O ATOM 180 CB SER A 13 -15.534 -0.344 -3.643 1.00 0.00 C ATOM 181 OG SER A 13 -16.050 0.567 -2.687 1.00 0.00 O ATOM 0 H SER A 13 -15.377 1.982 -4.975 1.00 0.00 H new ATOM 0 HA SER A 13 -13.442 0.077 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.317 -0.613 -4.352 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.226 -1.263 -3.144 1.00 0.00 H new ATOM 0 HG SER A 13 -16.810 0.158 -2.223 1.00 0.00 H new ATOM 187 N GLY A 14 -13.011 -0.971 -5.977 1.00 0.00 N ATOM 188 CA GLY A 14 -12.742 -1.646 -7.228 1.00 0.00 C ATOM 189 C GLY A 14 -12.107 -3.000 -7.014 1.00 0.00 C ATOM 190 O GLY A 14 -12.563 -3.782 -6.179 1.00 0.00 O ATOM 0 H GLY A 14 -12.232 -0.964 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.672 -1.765 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.083 -1.029 -7.839 1.00 0.00 H new ATOM 194 N ILE A 15 -11.049 -3.274 -7.761 1.00 0.00 N ATOM 195 CA ILE A 15 -10.344 -4.536 -7.648 1.00 0.00 C ATOM 196 C ILE A 15 -8.844 -4.328 -7.639 1.00 0.00 C ATOM 197 O ILE A 15 -8.308 -3.596 -8.466 1.00 0.00 O ATOM 198 CB ILE A 15 -10.664 -5.491 -8.816 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.171 -5.530 -9.093 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.120 -6.888 -8.521 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.012 -5.877 -7.885 1.00 0.00 C ATOM 0 H ILE A 15 -10.660 -2.635 -8.454 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.680 -4.976 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.174 -5.117 -9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.485 -4.558 -9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.366 -6.259 -9.880 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.353 -7.552 -9.353 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.039 -6.837 -8.388 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.579 -7.273 -7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.065 -5.884 -8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.729 -6.862 -7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.849 -5.135 -7.103 1.00 0.00 H new ATOM 213 N ILE A 16 -8.166 -5.026 -6.747 1.00 0.00 N ATOM 214 CA ILE A 16 -6.721 -4.964 -6.691 1.00 0.00 C ATOM 215 C ILE A 16 -6.213 -6.207 -7.383 1.00 0.00 C ATOM 216 O ILE A 16 -6.801 -7.279 -7.241 1.00 0.00 O ATOM 217 CB ILE A 16 -6.169 -4.908 -5.238 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.619 -3.514 -4.926 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.082 -5.956 -5.023 1.00 0.00 C ATOM 220 CD1 ILE A 16 -4.981 -3.409 -3.556 1.00 0.00 C ATOM 0 H ILE A 16 -8.593 -5.640 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.382 -4.048 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.994 -5.124 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.882 -3.245 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.429 -2.788 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.714 -5.894 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.494 -6.949 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.260 -5.775 -5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.613 -2.394 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.720 -3.647 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.150 -4.110 -3.487 1.00 0.00 H new ATOM 232 N ALA A 17 -5.154 -6.077 -8.146 1.00 0.00 N ATOM 233 CA ALA A 17 -4.641 -7.224 -8.856 1.00 0.00 C ATOM 234 C ALA A 17 -3.147 -7.113 -9.090 1.00 0.00 C ATOM 235 O ALA A 17 -2.663 -6.193 -9.746 1.00 0.00 O ATOM 236 CB ALA A 17 -5.419 -7.419 -10.148 1.00 0.00 C ATOM 0 H ALA A 17 -4.640 -5.208 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.783 -8.113 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.028 -8.286 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.472 -7.579 -9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.315 -6.532 -10.773 1.00 0.00 H new ATOM 242 N ILE A 18 -2.430 -8.063 -8.515 1.00 0.00 N ATOM 243 CA ILE A 18 -0.984 -8.109 -8.604 1.00 0.00 C ATOM 244 C ILE A 18 -0.509 -8.726 -9.910 1.00 0.00 C ATOM 245 O ILE A 18 -1.100 -9.680 -10.416 1.00 0.00 O ATOM 246 CB ILE A 18 -0.395 -8.913 -7.433 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.961 -8.406 -6.106 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.123 -8.831 -7.445 1.00 0.00 C ATOM 249 CD1 ILE A 18 -0.350 -9.069 -4.895 1.00 0.00 C ATOM 0 H ILE A 18 -2.837 -8.825 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.636 -7.077 -8.563 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.678 -9.960 -7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.801 -7.330 -6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.039 -8.569 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.525 -9.405 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.502 -9.239 -8.382 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.432 -7.790 -7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.800 -8.660 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.533 -10.143 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.724 -8.884 -4.882 1.00 0.00 H new ATOM 261 N ASN A 19 0.578 -8.180 -10.439 1.00 0.00 N ATOM 262 CA ASN A 19 1.163 -8.675 -11.674 1.00 0.00 C ATOM 263 C ASN A 19 2.589 -9.147 -11.420 1.00 0.00 C ATOM 264 O ASN A 19 3.531 -8.361 -11.475 1.00 0.00 O ATOM 265 CB ASN A 19 1.151 -7.585 -12.747 1.00 0.00 C ATOM 266 CG ASN A 19 0.752 -8.119 -14.109 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.338 -7.836 -14.605 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.637 -8.897 -14.721 1.00 0.00 N ATOM 0 H ASN A 19 1.074 -7.389 -10.027 1.00 0.00 H new ATOM 0 HA ASN A 19 0.568 -9.516 -12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.459 -6.796 -12.452 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.141 -7.133 -12.813 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.425 -9.286 -15.640 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.529 -9.106 -14.272 1.00 0.00 H new ATOM 275 N GLU A 20 2.739 -10.432 -11.131 1.00 0.00 N ATOM 276 CA GLU A 20 4.050 -11.010 -10.861 1.00 0.00 C ATOM 277 C GLU A 20 4.791 -11.336 -12.157 1.00 0.00 C ATOM 278 O GLU A 20 5.921 -11.826 -12.127 1.00 0.00 O ATOM 279 CB GLU A 20 3.907 -12.273 -10.009 1.00 0.00 C ATOM 280 CG GLU A 20 4.914 -12.358 -8.873 1.00 0.00 C ATOM 281 CD GLU A 20 6.338 -12.520 -9.368 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.919 -11.521 -9.841 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.871 -13.646 -9.281 1.00 0.00 O ATOM 0 H GLU A 20 1.967 -11.097 -11.077 1.00 0.00 H new ATOM 0 HA GLU A 20 4.634 -10.271 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.900 -12.309 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.019 -13.148 -10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.845 -11.457 -8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.659 -13.199 -8.229 1.00 0.00 H new ATOM 290 N ASP A 21 4.156 -11.060 -13.293 1.00 0.00 N ATOM 291 CA ASP A 21 4.763 -11.323 -14.592 1.00 0.00 C ATOM 292 C ASP A 21 5.707 -10.192 -14.997 1.00 0.00 C ATOM 293 O ASP A 21 6.311 -10.234 -16.069 1.00 0.00 O ATOM 294 CB ASP A 21 3.680 -11.499 -15.654 1.00 0.00 C ATOM 295 CG ASP A 21 4.171 -12.280 -16.858 1.00 0.00 C ATOM 296 OD1 ASP A 21 5.163 -13.025 -16.717 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.564 -12.146 -17.941 1.00 0.00 O ATOM 0 H ASP A 21 3.221 -10.654 -13.339 1.00 0.00 H new ATOM 0 HA ASP A 21 5.343 -12.243 -14.513 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.825 -12.013 -15.215 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.330 -10.519 -15.978 1.00 0.00 H new ATOM 302 N VAL A 22 5.834 -9.184 -14.137 1.00 0.00 N ATOM 303 CA VAL A 22 6.709 -8.051 -14.418 1.00 0.00 C ATOM 304 C VAL A 22 8.003 -8.155 -13.617 1.00 0.00 C ATOM 305 O VAL A 22 8.342 -9.221 -13.101 1.00 0.00 O ATOM 306 CB VAL A 22 6.034 -6.688 -14.127 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.845 -5.895 -15.411 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.718 -6.886 -13.427 1.00 0.00 C ATOM 0 H VAL A 22 5.344 -9.129 -13.244 1.00 0.00 H new ATOM 0 HA VAL A 22 6.930 -8.093 -15.485 1.00 0.00 H new ATOM 0 HB VAL A 22 6.689 -6.118 -13.468 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.369 -4.941 -15.183 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.815 -5.715 -15.874 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.215 -6.460 -16.098 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.260 -5.916 -13.232 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.056 -7.479 -14.058 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.882 -7.406 -12.483 1.00 0.00 H new ATOM 318 N SER A 23 8.717 -7.043 -13.510 1.00 0.00 N ATOM 319 CA SER A 23 9.968 -7.002 -12.767 1.00 0.00 C ATOM 320 C SER A 23 10.506 -5.575 -12.711 1.00 0.00 C ATOM 321 O SER A 23 11.082 -5.086 -13.683 1.00 0.00 O ATOM 322 CB SER A 23 11.000 -7.927 -13.411 1.00 0.00 C ATOM 323 OG SER A 23 11.052 -7.737 -14.815 1.00 0.00 O ATOM 0 H SER A 23 8.449 -6.153 -13.931 1.00 0.00 H new ATOM 0 HA SER A 23 9.777 -7.345 -11.750 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.983 -7.737 -12.979 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.750 -8.965 -13.191 1.00 0.00 H new ATOM 0 HG SER A 23 11.146 -6.782 -15.013 1.00 0.00 H new ATOM 329 N PRO A 24 10.322 -4.876 -11.575 1.00 0.00 N ATOM 330 CA PRO A 24 9.640 -5.415 -10.389 1.00 0.00 C ATOM 331 C PRO A 24 8.142 -5.614 -10.610 1.00 0.00 C ATOM 332 O PRO A 24 7.573 -5.108 -11.577 1.00 0.00 O ATOM 333 CB PRO A 24 9.877 -4.351 -9.309 1.00 0.00 C ATOM 334 CG PRO A 24 10.906 -3.423 -9.867 1.00 0.00 C ATOM 335 CD PRO A 24 10.775 -3.499 -11.359 1.00 0.00 C ATOM 0 HA PRO A 24 10.024 -6.401 -10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.955 -3.818 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.224 -4.806 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.744 -2.405 -9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.907 -3.715 -9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.057 -2.773 -11.740 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.723 -3.302 -11.859 1.00 0.00 H new ATOM 343 N ALA A 25 7.510 -6.351 -9.700 1.00 0.00 N ATOM 344 CA ALA A 25 6.077 -6.616 -9.785 1.00 0.00 C ATOM 345 C ALA A 25 5.275 -5.328 -9.764 1.00 0.00 C ATOM 346 O ALA A 25 5.831 -4.236 -9.642 1.00 0.00 O ATOM 347 CB ALA A 25 5.623 -7.502 -8.638 1.00 0.00 C ATOM 0 H ALA A 25 7.969 -6.776 -8.894 1.00 0.00 H new ATOM 0 HA ALA A 25 5.901 -7.127 -10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.552 -7.686 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.158 -8.451 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.833 -7.006 -7.690 1.00 0.00 H new ATOM 353 N GLU A 26 3.959 -5.466 -9.867 1.00 0.00 N ATOM 354 CA GLU A 26 3.078 -4.312 -9.839 1.00 0.00 C ATOM 355 C GLU A 26 1.635 -4.726 -9.572 1.00 0.00 C ATOM 356 O GLU A 26 1.126 -5.666 -10.181 1.00 0.00 O ATOM 357 CB GLU A 26 3.166 -3.541 -11.158 1.00 0.00 C ATOM 358 CG GLU A 26 2.658 -4.325 -12.356 1.00 0.00 C ATOM 359 CD GLU A 26 1.270 -3.894 -12.790 1.00 0.00 C ATOM 360 OE1 GLU A 26 0.286 -4.369 -12.186 1.00 0.00 O ATOM 361 OE2 GLU A 26 1.168 -3.082 -13.733 1.00 0.00 O ATOM 0 H GLU A 26 3.483 -6.362 -9.970 1.00 0.00 H new ATOM 0 HA GLU A 26 3.403 -3.664 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.593 -2.618 -11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.203 -3.256 -11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.350 -4.198 -13.188 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.645 -5.387 -12.111 1.00 0.00 H new ATOM 368 N LEU A 27 0.973 -4.004 -8.672 1.00 0.00 N ATOM 369 CA LEU A 27 -0.419 -4.288 -8.349 1.00 0.00 C ATOM 370 C LEU A 27 -1.305 -3.191 -8.934 1.00 0.00 C ATOM 371 O LEU A 27 -1.038 -2.004 -8.752 1.00 0.00 O ATOM 372 CB LEU A 27 -0.615 -4.427 -6.823 1.00 0.00 C ATOM 373 CG LEU A 27 -0.959 -3.146 -6.050 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.336 -2.607 -6.416 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.891 -3.414 -4.563 1.00 0.00 C ATOM 0 H LEU A 27 1.377 -3.222 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.706 -5.241 -8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.408 -5.153 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.299 -4.844 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.227 -2.387 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.536 -1.701 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.366 -2.378 -7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.093 -3.356 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.136 -2.503 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.604 -4.196 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.116 -3.737 -4.297 1.00 0.00 H new ATOM 387 N THR A 28 -2.339 -3.591 -9.666 1.00 0.00 N ATOM 388 CA THR A 28 -3.237 -2.632 -10.307 1.00 0.00 C ATOM 389 C THR A 28 -4.637 -2.649 -9.702 1.00 0.00 C ATOM 390 O THR A 28 -5.374 -3.624 -9.848 1.00 0.00 O ATOM 391 CB THR A 28 -3.326 -2.937 -11.802 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.040 -3.189 -12.340 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.947 -1.816 -12.606 1.00 0.00 C ATOM 0 H THR A 28 -2.577 -4.569 -9.831 1.00 0.00 H new ATOM 0 HA THR A 28 -2.822 -1.638 -10.143 1.00 0.00 H new ATOM 0 HB THR A 28 -3.966 -3.816 -11.879 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.704 -4.043 -11.997 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.980 -2.098 -13.658 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.960 -1.630 -12.249 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.350 -0.912 -12.491 1.00 0.00 H new ATOM 401 N TRP A 29 -5.008 -1.550 -9.050 1.00 0.00 N ATOM 402 CA TRP A 29 -6.322 -1.422 -8.462 1.00 0.00 C ATOM 403 C TRP A 29 -7.265 -0.776 -9.467 1.00 0.00 C ATOM 404 O TRP A 29 -7.128 0.404 -9.781 1.00 0.00 O ATOM 405 CB TRP A 29 -6.258 -0.561 -7.202 1.00 0.00 C ATOM 406 CG TRP A 29 -7.610 -0.246 -6.648 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.304 -0.996 -5.759 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.432 0.883 -6.960 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.516 -0.405 -5.482 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.616 0.753 -6.209 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.284 1.993 -7.796 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.643 1.689 -6.270 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.304 2.923 -7.857 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.471 2.767 -7.097 1.00 0.00 C ATOM 0 H TRP A 29 -4.408 -0.736 -8.920 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.687 -2.414 -8.195 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.671 -1.078 -6.443 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.737 0.369 -7.429 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.957 -1.924 -5.329 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.222 -0.768 -4.842 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.388 2.122 -8.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.544 1.570 -5.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.200 3.784 -8.501 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.250 3.512 -7.165 1.00 0.00 H new ATOM 425 N ARG A 30 -8.211 -1.551 -9.974 1.00 0.00 N ATOM 426 CA ARG A 30 -9.165 -1.041 -10.953 1.00 0.00 C ATOM 427 C ARG A 30 -10.558 -0.913 -10.350 1.00 0.00 C ATOM 428 O ARG A 30 -11.066 -1.849 -9.742 1.00 0.00 O ATOM 429 CB ARG A 30 -9.210 -1.957 -12.176 1.00 0.00 C ATOM 430 CG ARG A 30 -9.769 -1.286 -13.420 1.00 0.00 C ATOM 431 CD ARG A 30 -10.561 -2.263 -14.273 1.00 0.00 C ATOM 432 NE ARG A 30 -11.399 -1.578 -15.255 1.00 0.00 N ATOM 433 CZ ARG A 30 -12.215 -2.206 -16.099 1.00 0.00 C ATOM 434 NH1 ARG A 30 -12.306 -3.530 -16.084 1.00 0.00 N ATOM 435 NH2 ARG A 30 -12.942 -1.507 -16.960 1.00 0.00 N ATOM 0 H ARG A 30 -8.341 -2.532 -9.727 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.832 -0.049 -11.259 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.203 -2.315 -12.388 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.817 -2.832 -11.942 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.410 -0.454 -13.129 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.951 -0.868 -14.008 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.874 -2.934 -14.788 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.188 -2.881 -13.630 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.356 -0.560 -15.296 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.749 -4.072 -15.423 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.933 -4.005 -16.733 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.876 -0.489 -16.975 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.567 -1.987 -17.607 1.00 0.00 H new ATOM 449 N SER A 31 -11.179 0.250 -10.530 1.00 0.00 N ATOM 450 CA SER A 31 -12.520 0.483 -9.999 1.00 0.00 C ATOM 451 C SER A 31 -13.455 -0.660 -10.387 1.00 0.00 C ATOM 452 O SER A 31 -13.182 -1.400 -11.333 1.00 0.00 O ATOM 453 CB SER A 31 -13.074 1.809 -10.526 1.00 0.00 C ATOM 454 OG SER A 31 -12.439 2.912 -9.901 1.00 0.00 O ATOM 0 H SER A 31 -10.779 1.041 -11.035 1.00 0.00 H new ATOM 0 HA SER A 31 -12.456 0.530 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.928 1.865 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.148 1.855 -10.347 1.00 0.00 H new ATOM 0 HG SER A 31 -11.938 2.601 -9.118 1.00 0.00 H new ATOM 460 N THR A 32 -14.555 -0.803 -9.657 1.00 0.00 N ATOM 461 CA THR A 32 -15.517 -1.859 -9.935 1.00 0.00 C ATOM 462 C THR A 32 -16.342 -1.496 -11.156 1.00 0.00 C ATOM 463 O THR A 32 -16.680 -2.349 -11.977 1.00 0.00 O ATOM 464 CB THR A 32 -16.428 -2.086 -8.725 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.691 -2.598 -7.630 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.561 -3.048 -9.001 1.00 0.00 C ATOM 0 H THR A 32 -14.801 -0.202 -8.870 1.00 0.00 H new ATOM 0 HA THR A 32 -14.976 -2.784 -10.135 1.00 0.00 H new ATOM 0 HB THR A 32 -16.849 -1.107 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.713 -1.955 -6.891 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.167 -3.164 -8.103 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.180 -2.659 -9.809 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.154 -4.017 -9.291 1.00 0.00 H new ATOM 474 N ASP A 33 -16.655 -0.218 -11.262 1.00 0.00 N ATOM 475 CA ASP A 33 -17.434 0.292 -12.377 1.00 0.00 C ATOM 476 C ASP A 33 -16.541 0.617 -13.573 1.00 0.00 C ATOM 477 O ASP A 33 -17.029 0.833 -14.681 1.00 0.00 O ATOM 478 CB ASP A 33 -18.215 1.538 -11.954 1.00 0.00 C ATOM 479 CG ASP A 33 -19.577 1.619 -12.615 1.00 0.00 C ATOM 480 OD1 ASP A 33 -20.313 0.611 -12.584 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.907 2.691 -13.166 1.00 0.00 O ATOM 0 H ASP A 33 -16.379 0.492 -10.584 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.136 -0.486 -12.677 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.339 1.535 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.638 2.428 -12.206 1.00 0.00 H new ATOM 486 N GLY A 34 -15.229 0.650 -13.344 1.00 0.00 N ATOM 487 CA GLY A 34 -14.297 0.952 -14.413 1.00 0.00 C ATOM 488 C GLY A 34 -14.131 2.442 -14.629 1.00 0.00 C ATOM 489 O GLY A 34 -13.968 2.900 -15.759 1.00 0.00 O ATOM 0 H GLY A 34 -14.798 0.473 -12.437 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.328 0.511 -14.182 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.645 0.490 -15.337 1.00 0.00 H new ATOM 493 N ASP A 35 -14.179 3.202 -13.538 1.00 0.00 N ATOM 494 CA ASP A 35 -14.039 4.652 -13.611 1.00 0.00 C ATOM 495 C ASP A 35 -12.575 5.073 -13.548 1.00 0.00 C ATOM 496 O ASP A 35 -12.208 6.146 -14.028 1.00 0.00 O ATOM 497 CB ASP A 35 -14.823 5.318 -12.479 1.00 0.00 C ATOM 498 CG ASP A 35 -15.432 6.642 -12.898 1.00 0.00 C ATOM 499 OD1 ASP A 35 -14.746 7.677 -12.770 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.594 6.643 -13.353 1.00 0.00 O ATOM 0 H ASP A 35 -14.314 2.838 -12.595 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.444 4.978 -14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.614 4.647 -12.145 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.161 5.479 -11.628 1.00 0.00 H new ATOM 505 N LYS A 36 -11.742 4.230 -12.950 1.00 0.00 N ATOM 506 CA LYS A 36 -10.320 4.527 -12.827 1.00 0.00 C ATOM 507 C LYS A 36 -9.563 3.368 -12.200 1.00 0.00 C ATOM 508 O LYS A 36 -10.153 2.460 -11.616 1.00 0.00 O ATOM 509 CB LYS A 36 -10.115 5.795 -11.995 1.00 0.00 C ATOM 510 CG LYS A 36 -10.523 5.639 -10.537 1.00 0.00 C ATOM 511 CD LYS A 36 -11.375 6.806 -10.061 1.00 0.00 C ATOM 512 CE LYS A 36 -10.623 7.681 -9.071 1.00 0.00 C ATOM 513 NZ LYS A 36 -9.976 6.875 -7.998 1.00 0.00 N ATOM 0 H LYS A 36 -12.025 3.338 -12.544 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.925 4.686 -13.830 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.065 6.084 -12.041 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.689 6.608 -12.439 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.078 4.709 -10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.631 5.563 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.682 7.406 -10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.284 6.427 -9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.864 8.258 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.312 8.397 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.972 7.418 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.506 5.991 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.998 6.653 -8.273 1.00 0.00 H new ATOM 527 N VAL A 37 -8.248 3.407 -12.351 1.00 0.00 N ATOM 528 CA VAL A 37 -7.382 2.367 -11.834 1.00 0.00 C ATOM 529 C VAL A 37 -6.068 2.953 -11.325 1.00 0.00 C ATOM 530 O VAL A 37 -5.643 4.023 -11.761 1.00 0.00 O ATOM 531 CB VAL A 37 -7.101 1.323 -12.934 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.962 2.008 -14.289 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.865 0.482 -12.612 1.00 0.00 C ATOM 0 H VAL A 37 -7.756 4.159 -12.834 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.888 1.884 -10.998 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.950 0.641 -12.975 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.764 1.260 -15.056 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.886 2.535 -14.527 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.137 2.719 -14.254 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.700 -0.242 -13.410 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.995 1.132 -12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.019 -0.045 -11.670 1.00 0.00 H new ATOM 543 N HIS A 38 -5.430 2.240 -10.405 1.00 0.00 N ATOM 544 CA HIS A 38 -4.162 2.683 -9.840 1.00 0.00 C ATOM 545 C HIS A 38 -3.132 1.559 -9.874 1.00 0.00 C ATOM 546 O HIS A 38 -3.334 0.502 -9.276 1.00 0.00 O ATOM 547 CB HIS A 38 -4.359 3.166 -8.402 1.00 0.00 C ATOM 548 CG HIS A 38 -4.790 4.596 -8.305 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.094 5.004 -8.486 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.080 5.719 -8.042 1.00 0.00 C ATOM 551 CE1 HIS A 38 -6.168 6.316 -8.341 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.959 6.773 -8.071 1.00 0.00 N ATOM 0 H HIS A 38 -5.770 1.353 -10.034 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.793 3.511 -10.445 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.104 2.537 -7.915 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.426 3.038 -7.853 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.019 5.775 -7.846 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.064 6.912 -8.428 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.717 7.751 -7.910 1.00 0.00 H new ATOM 561 N THR A 39 -2.030 1.794 -10.577 1.00 0.00 N ATOM 562 CA THR A 39 -0.970 0.799 -10.688 1.00 0.00 C ATOM 563 C THR A 39 0.131 1.067 -9.668 1.00 0.00 C ATOM 564 O THR A 39 0.640 2.184 -9.568 1.00 0.00 O ATOM 565 CB THR A 39 -0.386 0.797 -12.102 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.265 1.437 -13.010 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.111 -0.593 -12.633 1.00 0.00 C ATOM 0 H THR A 39 -1.847 2.664 -11.078 1.00 0.00 H new ATOM 0 HA THR A 39 -1.401 -0.181 -10.483 1.00 0.00 H new ATOM 0 HB THR A 39 0.560 1.333 -12.024 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.872 1.427 -13.908 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.302 -0.523 -13.639 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.604 -1.096 -11.982 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.040 -1.162 -12.661 1.00 0.00 H new ATOM 575 N VAL A 40 0.486 0.038 -8.906 1.00 0.00 N ATOM 576 CA VAL A 40 1.519 0.163 -7.888 1.00 0.00 C ATOM 577 C VAL A 40 2.732 -0.696 -8.217 1.00 0.00 C ATOM 578 O VAL A 40 2.595 -1.824 -8.681 1.00 0.00 O ATOM 579 CB VAL A 40 0.975 -0.241 -6.495 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.771 -1.392 -5.886 1.00 0.00 C ATOM 581 CG2 VAL A 40 0.980 0.945 -5.556 1.00 0.00 C ATOM 0 H VAL A 40 0.072 -0.892 -8.975 1.00 0.00 H new ATOM 0 HA VAL A 40 1.822 1.210 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.051 -0.581 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.357 -1.644 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.712 -2.261 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.813 -1.093 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.594 0.640 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.999 1.315 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.350 1.735 -5.965 1.00 0.00 H new ATOM 591 N VAL A 41 3.911 -0.164 -7.935 1.00 0.00 N ATOM 592 CA VAL A 41 5.148 -0.894 -8.158 1.00 0.00 C ATOM 593 C VAL A 41 5.686 -1.395 -6.825 1.00 0.00 C ATOM 594 O VAL A 41 6.356 -0.657 -6.103 1.00 0.00 O ATOM 595 CB VAL A 41 6.214 -0.021 -8.846 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.418 -0.862 -9.246 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.624 0.690 -10.054 1.00 0.00 C ATOM 0 H VAL A 41 4.037 0.772 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 41 4.927 -1.733 -8.818 1.00 0.00 H new ATOM 0 HB VAL A 41 6.550 0.736 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.160 -0.228 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.855 -1.318 -8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.102 -1.644 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.392 1.302 -10.527 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.258 -0.048 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.799 1.326 -9.734 1.00 0.00 H new ATOM 607 N LEU A 42 5.374 -2.648 -6.493 1.00 0.00 N ATOM 608 CA LEU A 42 5.809 -3.249 -5.233 1.00 0.00 C ATOM 609 C LEU A 42 7.279 -2.937 -4.930 1.00 0.00 C ATOM 610 O LEU A 42 7.703 -2.979 -3.775 1.00 0.00 O ATOM 611 CB LEU A 42 5.587 -4.763 -5.268 1.00 0.00 C ATOM 612 CG LEU A 42 4.131 -5.241 -5.128 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.734 -5.376 -3.671 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.164 -4.309 -5.823 1.00 0.00 C ATOM 0 H LEU A 42 4.819 -3.268 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 42 5.209 -2.813 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.984 -5.146 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.174 -5.214 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 42 4.079 -6.219 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.700 -5.715 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.385 -6.100 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.831 -4.409 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.147 -4.682 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.240 -3.313 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.406 -4.259 -6.884 1.00 0.00 H new ATOM 626 N SER A 43 8.046 -2.604 -5.968 1.00 0.00 N ATOM 627 CA SER A 43 9.454 -2.267 -5.801 1.00 0.00 C ATOM 628 C SER A 43 9.579 -0.858 -5.246 1.00 0.00 C ATOM 629 O SER A 43 10.305 -0.621 -4.282 1.00 0.00 O ATOM 630 CB SER A 43 10.199 -2.382 -7.133 1.00 0.00 C ATOM 631 OG SER A 43 11.193 -1.378 -7.261 1.00 0.00 O ATOM 0 H SER A 43 7.714 -2.561 -6.931 1.00 0.00 H new ATOM 0 HA SER A 43 9.904 -2.970 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.662 -3.366 -7.208 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.489 -2.300 -7.956 1.00 0.00 H new ATOM 0 HG SER A 43 11.930 -1.716 -7.812 1.00 0.00 H new ATOM 637 N THR A 44 8.837 0.071 -5.842 1.00 0.00 N ATOM 638 CA THR A 44 8.839 1.439 -5.386 1.00 0.00 C ATOM 639 C THR A 44 8.262 1.487 -3.981 1.00 0.00 C ATOM 640 O THR A 44 8.617 2.350 -3.178 1.00 0.00 O ATOM 641 CB THR A 44 8.015 2.301 -6.334 1.00 0.00 C ATOM 642 OG1 THR A 44 6.649 1.929 -6.293 1.00 0.00 O ATOM 643 CG2 THR A 44 8.475 2.218 -7.773 1.00 0.00 C ATOM 0 H THR A 44 8.230 -0.108 -6.642 1.00 0.00 H new ATOM 0 HA THR A 44 9.857 1.827 -5.371 1.00 0.00 H new ATOM 0 HB THR A 44 8.154 3.325 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.577 0.953 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.845 2.856 -8.394 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.510 2.551 -7.844 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.401 1.187 -8.120 1.00 0.00 H new ATOM 651 N ILE A 45 7.386 0.526 -3.684 1.00 0.00 N ATOM 652 CA ILE A 45 6.782 0.434 -2.365 1.00 0.00 C ATOM 653 C ILE A 45 7.864 0.328 -1.289 1.00 0.00 C ATOM 654 O ILE A 45 8.470 -0.727 -1.108 1.00 0.00 O ATOM 655 CB ILE A 45 5.853 -0.790 -2.262 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.745 -0.713 -3.316 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.265 -0.892 -0.866 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.854 0.501 -3.184 1.00 0.00 C ATOM 0 H ILE A 45 7.083 -0.194 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 45 6.195 1.339 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 45 6.440 -1.689 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.200 -0.711 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.131 -1.611 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.611 -1.762 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.070 -0.996 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.691 0.008 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.095 0.482 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.369 0.492 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.454 1.405 -3.282 1.00 0.00 H new ATOM 670 N ASP A 46 8.106 1.428 -0.587 1.00 0.00 N ATOM 671 CA ASP A 46 9.120 1.461 0.462 1.00 0.00 C ATOM 672 C ASP A 46 8.847 0.422 1.548 1.00 0.00 C ATOM 673 O ASP A 46 9.751 0.048 2.295 1.00 0.00 O ATOM 674 CB ASP A 46 9.190 2.857 1.084 1.00 0.00 C ATOM 675 CG ASP A 46 10.280 2.971 2.132 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.446 3.211 1.754 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.967 2.821 3.332 1.00 0.00 O ATOM 0 H ASP A 46 7.614 2.311 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 46 10.077 1.218 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.366 3.593 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.228 3.098 1.537 1.00 0.00 H new ATOM 682 N LYS A 47 7.603 -0.043 1.639 1.00 0.00 N ATOM 683 CA LYS A 47 7.240 -1.035 2.644 1.00 0.00 C ATOM 684 C LYS A 47 5.817 -1.544 2.437 1.00 0.00 C ATOM 685 O LYS A 47 5.000 -0.898 1.783 1.00 0.00 O ATOM 686 CB LYS A 47 7.381 -0.445 4.049 1.00 0.00 C ATOM 687 CG LYS A 47 6.310 0.575 4.387 1.00 0.00 C ATOM 688 CD LYS A 47 6.894 1.798 5.081 1.00 0.00 C ATOM 689 CE LYS A 47 6.418 1.903 6.523 1.00 0.00 C ATOM 690 NZ LYS A 47 7.501 2.372 7.432 1.00 0.00 N ATOM 0 H LYS A 47 6.836 0.249 1.034 1.00 0.00 H new ATOM 0 HA LYS A 47 7.922 -1.879 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.345 -1.253 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.361 0.024 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.801 0.884 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.560 0.115 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.982 1.745 5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.608 2.698 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.574 2.591 6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.058 0.930 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.137 2.430 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.296 1.702 7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.827 3.311 7.128 1.00 0.00 H new ATOM 704 N LEU A 48 5.533 -2.704 3.011 1.00 0.00 N ATOM 705 CA LEU A 48 4.214 -3.317 2.908 1.00 0.00 C ATOM 706 C LEU A 48 3.490 -3.249 4.253 1.00 0.00 C ATOM 707 O LEU A 48 3.980 -3.774 5.253 1.00 0.00 O ATOM 708 CB LEU A 48 4.359 -4.774 2.472 1.00 0.00 C ATOM 709 CG LEU A 48 3.113 -5.396 1.846 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.575 -4.513 0.730 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.431 -6.788 1.324 1.00 0.00 C ATOM 0 H LEU A 48 6.204 -3.244 3.558 1.00 0.00 H new ATOM 0 HA LEU A 48 3.628 -2.773 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.178 -4.842 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.645 -5.369 3.340 1.00 0.00 H new ATOM 0 HG LEU A 48 2.342 -5.479 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.687 -4.974 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.315 -3.534 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.336 -4.397 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.536 -7.223 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.216 -6.723 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.770 -7.417 2.147 1.00 0.00 H new ATOM 723 N GLN A 49 2.332 -2.595 4.279 1.00 0.00 N ATOM 724 CA GLN A 49 1.561 -2.462 5.511 1.00 0.00 C ATOM 725 C GLN A 49 0.156 -3.031 5.349 1.00 0.00 C ATOM 726 O GLN A 49 -0.432 -2.946 4.278 1.00 0.00 O ATOM 727 CB GLN A 49 1.475 -0.989 5.918 1.00 0.00 C ATOM 728 CG GLN A 49 1.858 -0.733 7.366 1.00 0.00 C ATOM 729 CD GLN A 49 1.620 0.705 7.786 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.852 0.975 8.709 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.280 1.636 7.108 1.00 0.00 N ATOM 0 H GLN A 49 1.908 -2.151 3.464 1.00 0.00 H new ATOM 0 HA GLN A 49 2.072 -3.028 6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.127 -0.403 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.458 -0.634 5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.284 -1.396 8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.910 -0.980 7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.907 1.367 6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.160 2.621 7.345 1.00 0.00 H new ATOM 740 N ALA A 50 -0.372 -3.614 6.417 1.00 0.00 N ATOM 741 CA ALA A 50 -1.707 -4.193 6.392 1.00 0.00 C ATOM 742 C ALA A 50 -2.283 -4.281 7.804 1.00 0.00 C ATOM 743 O ALA A 50 -1.538 -4.432 8.772 1.00 0.00 O ATOM 744 CB ALA A 50 -1.649 -5.560 5.747 1.00 0.00 C ATOM 0 H ALA A 50 0.106 -3.698 7.314 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.365 -3.552 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.648 -5.996 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.274 -5.466 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.983 -6.205 6.320 1.00 0.00 H new ATOM 750 N THR A 51 -3.606 -4.186 7.926 1.00 0.00 N ATOM 751 CA THR A 51 -4.249 -4.258 9.236 1.00 0.00 C ATOM 752 C THR A 51 -3.879 -5.557 9.954 1.00 0.00 C ATOM 753 O THR A 51 -3.829 -6.621 9.337 1.00 0.00 O ATOM 754 CB THR A 51 -5.769 -4.158 9.093 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.257 -5.142 8.198 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.235 -2.809 8.591 1.00 0.00 C ATOM 0 H THR A 51 -4.247 -4.060 7.143 1.00 0.00 H new ATOM 0 HA THR A 51 -3.893 -3.418 9.832 1.00 0.00 H new ATOM 0 HB THR A 51 -6.163 -4.310 10.098 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.998 -5.627 8.617 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.322 -2.806 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.919 -2.033 9.288 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.800 -2.615 7.611 1.00 0.00 H new ATOM 764 N PRO A 52 -3.610 -5.488 11.270 1.00 0.00 N ATOM 765 CA PRO A 52 -3.241 -6.665 12.064 1.00 0.00 C ATOM 766 C PRO A 52 -4.400 -7.645 12.224 1.00 0.00 C ATOM 767 O PRO A 52 -5.557 -7.296 11.996 1.00 0.00 O ATOM 768 CB PRO A 52 -2.850 -6.076 13.420 1.00 0.00 C ATOM 769 CG PRO A 52 -3.578 -4.779 13.496 1.00 0.00 C ATOM 770 CD PRO A 52 -3.642 -4.260 12.087 1.00 0.00 C ATOM 0 HA PRO A 52 -2.445 -7.240 11.590 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.137 -6.739 14.237 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.772 -5.929 13.492 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.578 -4.916 13.908 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.058 -4.077 14.148 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.551 -3.684 11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.801 -3.605 11.861 1.00 0.00 H new ATOM 778 N ALA A 53 -4.078 -8.873 12.617 1.00 0.00 N ATOM 779 CA ALA A 53 -5.091 -9.904 12.810 1.00 0.00 C ATOM 780 C ALA A 53 -6.012 -9.556 13.974 1.00 0.00 C ATOM 781 O ALA A 53 -7.196 -9.895 13.964 1.00 0.00 O ATOM 782 CB ALA A 53 -4.432 -11.255 13.041 1.00 0.00 C ATOM 0 H ALA A 53 -3.124 -9.178 12.808 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.696 -9.958 11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.200 -12.015 13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.821 -11.514 12.176 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.802 -11.205 13.929 1.00 0.00 H new ATOM 788 N SER A 54 -5.462 -8.876 14.974 1.00 0.00 N ATOM 789 CA SER A 54 -6.236 -8.480 16.146 1.00 0.00 C ATOM 790 C SER A 54 -7.235 -7.380 15.798 1.00 0.00 C ATOM 791 O SER A 54 -8.219 -7.174 16.507 1.00 0.00 O ATOM 792 CB SER A 54 -5.305 -8.004 17.262 1.00 0.00 C ATOM 793 OG SER A 54 -4.153 -7.373 16.732 1.00 0.00 O ATOM 0 H SER A 54 -4.484 -8.587 14.997 1.00 0.00 H new ATOM 0 HA SER A 54 -6.791 -9.352 16.492 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.837 -7.309 17.912 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.007 -8.853 17.878 1.00 0.00 H new ATOM 0 HG SER A 54 -3.575 -7.077 17.466 1.00 0.00 H new ATOM 799 N SER A 55 -6.976 -6.677 14.701 1.00 0.00 N ATOM 800 CA SER A 55 -7.851 -5.602 14.254 1.00 0.00 C ATOM 801 C SER A 55 -8.900 -6.124 13.286 1.00 0.00 C ATOM 802 O SER A 55 -8.574 -6.593 12.195 1.00 0.00 O ATOM 803 CB SER A 55 -7.033 -4.493 13.589 1.00 0.00 C ATOM 804 OG SER A 55 -6.318 -4.987 12.470 1.00 0.00 O ATOM 0 H SER A 55 -6.164 -6.834 14.104 1.00 0.00 H new ATOM 0 HA SER A 55 -8.360 -5.194 15.128 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.696 -3.687 13.274 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.336 -4.068 14.311 1.00 0.00 H new ATOM 0 HG SER A 55 -6.489 -5.947 12.370 1.00 0.00 H new ATOM 810 N GLU A 56 -10.164 -6.030 13.685 1.00 0.00 N ATOM 811 CA GLU A 56 -11.263 -6.483 12.844 1.00 0.00 C ATOM 812 C GLU A 56 -11.229 -5.783 11.489 1.00 0.00 C ATOM 813 O GLU A 56 -11.838 -6.244 10.524 1.00 0.00 O ATOM 814 CB GLU A 56 -12.604 -6.224 13.533 1.00 0.00 C ATOM 815 CG GLU A 56 -12.917 -7.211 14.645 1.00 0.00 C ATOM 816 CD GLU A 56 -13.922 -8.265 14.224 1.00 0.00 C ATOM 817 OE1 GLU A 56 -15.038 -7.887 13.807 1.00 0.00 O ATOM 818 OE2 GLU A 56 -13.595 -9.466 14.311 1.00 0.00 O ATOM 0 H GLU A 56 -10.451 -5.645 14.585 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.149 -7.555 12.684 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.603 -5.215 13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.399 -6.264 12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.996 -7.699 14.962 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.304 -6.669 15.508 1.00 0.00 H new ATOM 825 N LYS A 57 -10.507 -4.666 11.424 1.00 0.00 N ATOM 826 CA LYS A 57 -10.389 -3.905 10.187 1.00 0.00 C ATOM 827 C LYS A 57 -9.488 -4.626 9.190 1.00 0.00 C ATOM 828 O LYS A 57 -8.354 -4.984 9.509 1.00 0.00 O ATOM 829 CB LYS A 57 -9.835 -2.507 10.473 1.00 0.00 C ATOM 830 CG LYS A 57 -10.554 -1.786 11.600 1.00 0.00 C ATOM 831 CD LYS A 57 -11.933 -1.313 11.168 1.00 0.00 C ATOM 832 CE LYS A 57 -11.845 -0.304 10.034 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.040 0.584 9.985 1.00 0.00 N ATOM 0 H LYS A 57 -9.997 -4.270 12.213 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.384 -3.812 9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.777 -2.589 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.904 -1.906 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.649 -2.452 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.960 -0.931 11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.529 -2.168 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.448 -0.864 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.947 0.302 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.746 -0.832 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.097 1.038 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.898 0.020 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.960 1.315 10.721 1.00 0.00 H new ATOM 847 N MET A 58 -9.999 -4.833 7.981 1.00 0.00 N ATOM 848 CA MET A 58 -9.242 -5.510 6.934 1.00 0.00 C ATOM 849 C MET A 58 -8.799 -4.516 5.864 1.00 0.00 C ATOM 850 O MET A 58 -9.570 -4.168 4.970 1.00 0.00 O ATOM 851 CB MET A 58 -10.081 -6.624 6.301 1.00 0.00 C ATOM 852 CG MET A 58 -11.556 -6.279 6.168 1.00 0.00 C ATOM 853 SD MET A 58 -12.507 -6.708 7.639 1.00 0.00 S ATOM 854 CE MET A 58 -12.373 -8.494 7.619 1.00 0.00 C ATOM 0 H MET A 58 -10.936 -4.541 7.702 1.00 0.00 H new ATOM 0 HA MET A 58 -8.355 -5.953 7.387 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.680 -6.852 5.313 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.981 -7.528 6.902 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.659 -5.212 5.972 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.971 -6.802 5.307 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.231 -8.860 8.636 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.285 -8.923 7.203 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.521 -8.788 7.005 1.00 0.00 H new ATOM 864 N MET A 59 -7.558 -4.054 5.970 1.00 0.00 N ATOM 865 CA MET A 59 -7.018 -3.089 5.021 1.00 0.00 C ATOM 866 C MET A 59 -5.541 -3.336 4.739 1.00 0.00 C ATOM 867 O MET A 59 -4.775 -3.686 5.636 1.00 0.00 O ATOM 868 CB MET A 59 -7.196 -1.677 5.564 1.00 0.00 C ATOM 869 CG MET A 59 -8.641 -1.327 5.873 1.00 0.00 C ATOM 870 SD MET A 59 -8.862 0.414 6.275 1.00 0.00 S ATOM 871 CE MET A 59 -9.158 0.297 8.034 1.00 0.00 C ATOM 0 H MET A 59 -6.907 -4.333 6.704 1.00 0.00 H new ATOM 0 HA MET A 59 -7.566 -3.206 4.086 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.601 -1.567 6.471 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.805 -0.964 4.838 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.263 -1.580 5.015 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.988 -1.936 6.708 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.630 1.102 8.546 1.00 0.00 H new ATOM 0 HE2 MET A 59 -10.227 0.382 8.230 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.798 -0.664 8.400 1.00 0.00 H new ATOM 881 N LEU A 60 -5.148 -3.124 3.489 1.00 0.00 N ATOM 882 CA LEU A 60 -3.757 -3.294 3.082 1.00 0.00 C ATOM 883 C LEU A 60 -3.193 -1.968 2.581 1.00 0.00 C ATOM 884 O LEU A 60 -3.916 -1.157 2.004 1.00 0.00 O ATOM 885 CB LEU A 60 -3.629 -4.366 1.996 1.00 0.00 C ATOM 886 CG LEU A 60 -4.160 -5.757 2.367 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.654 -6.788 1.376 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.744 -6.159 3.773 1.00 0.00 C ATOM 0 H LEU A 60 -5.774 -2.833 2.738 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.185 -3.621 3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.157 -4.021 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.577 -4.459 1.726 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.249 -5.714 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.036 -7.772 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.997 -6.529 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.564 -6.805 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.138 -7.149 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.656 -6.178 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.139 -5.438 4.489 1.00 0.00 H new ATOM 900 N ARG A 61 -1.907 -1.741 2.824 1.00 0.00 N ATOM 901 CA ARG A 61 -1.265 -0.496 2.416 1.00 0.00 C ATOM 902 C ARG A 61 0.170 -0.717 1.944 1.00 0.00 C ATOM 903 O ARG A 61 0.889 -1.559 2.478 1.00 0.00 O ATOM 904 CB ARG A 61 -1.254 0.482 3.588 1.00 0.00 C ATOM 905 CG ARG A 61 -1.086 1.936 3.177 1.00 0.00 C ATOM 906 CD ARG A 61 -1.629 2.881 4.237 1.00 0.00 C ATOM 907 NE ARG A 61 -1.208 2.498 5.583 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.573 3.147 6.686 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.364 4.210 6.608 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.146 2.732 7.871 1.00 0.00 N ATOM 0 H ARG A 61 -1.290 -2.400 3.300 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.838 -0.092 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.186 0.377 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.445 0.211 4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.030 2.147 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.603 2.110 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.289 3.895 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.718 2.893 4.188 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.599 1.686 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.695 4.533 5.699 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.640 4.703 7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.538 1.916 7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.426 3.229 8.717 1.00 0.00 H new ATOM 924 N LEU A 62 0.586 0.073 0.959 1.00 0.00 N ATOM 925 CA LEU A 62 1.944 0.002 0.432 1.00 0.00 C ATOM 926 C LEU A 62 2.572 1.393 0.426 1.00 0.00 C ATOM 927 O LEU A 62 2.182 2.251 -0.364 1.00 0.00 O ATOM 928 CB LEU A 62 1.956 -0.572 -0.987 1.00 0.00 C ATOM 929 CG LEU A 62 1.335 -1.962 -1.141 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.064 -1.878 -1.959 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.322 -2.933 -1.783 1.00 0.00 C ATOM 0 H LEU A 62 -0.002 0.774 0.508 1.00 0.00 H new ATOM 0 HA LEU A 62 2.523 -0.660 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.426 0.118 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.988 -0.614 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 62 1.089 -2.340 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.369 -2.873 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.648 -1.222 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.293 -1.478 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.856 -3.914 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.605 -2.565 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.211 -3.015 -1.158 1.00 0.00 H new ATOM 943 N ILE A 63 3.538 1.619 1.311 1.00 0.00 N ATOM 944 CA ILE A 63 4.198 2.919 1.388 1.00 0.00 C ATOM 945 C ILE A 63 5.196 3.089 0.252 1.00 0.00 C ATOM 946 O ILE A 63 5.683 2.109 -0.306 1.00 0.00 O ATOM 947 CB ILE A 63 4.939 3.115 2.727 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.121 2.548 3.892 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.236 4.590 2.949 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.714 3.087 3.968 1.00 0.00 C ATOM 0 H ILE A 63 3.879 0.927 1.979 1.00 0.00 H new ATOM 0 HA ILE A 63 3.411 3.669 1.309 1.00 0.00 H new ATOM 0 HB ILE A 63 5.882 2.570 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.080 1.463 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.636 2.770 4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.759 4.717 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.861 4.962 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.301 5.150 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.198 2.639 4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.745 4.169 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.181 2.842 3.050 1.00 0.00 H new ATOM 962 N GLY A 64 5.494 4.339 -0.086 1.00 0.00 N ATOM 963 CA GLY A 64 6.435 4.615 -1.155 1.00 0.00 C ATOM 964 C GLY A 64 7.728 5.222 -0.645 1.00 0.00 C ATOM 965 O GLY A 64 7.965 5.268 0.562 1.00 0.00 O ATOM 0 H GLY A 64 5.100 5.166 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.656 3.690 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.976 5.295 -1.873 1.00 0.00 H new ATOM 969 N LYS A 65 8.565 5.688 -1.566 1.00 0.00 N ATOM 970 CA LYS A 65 9.840 6.297 -1.203 1.00 0.00 C ATOM 971 C LYS A 65 9.879 7.769 -1.607 1.00 0.00 C ATOM 972 O LYS A 65 9.458 8.131 -2.706 1.00 0.00 O ATOM 973 CB LYS A 65 10.996 5.544 -1.867 1.00 0.00 C ATOM 974 CG LYS A 65 10.904 4.035 -1.715 1.00 0.00 C ATOM 975 CD LYS A 65 11.870 3.322 -2.646 1.00 0.00 C ATOM 976 CE LYS A 65 11.634 1.820 -2.652 1.00 0.00 C ATOM 977 NZ LYS A 65 12.559 1.110 -1.726 1.00 0.00 N ATOM 0 H LYS A 65 8.384 5.656 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 65 9.947 6.234 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.020 5.793 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.937 5.888 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.120 3.758 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.886 3.708 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.757 3.713 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.894 3.529 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.603 1.613 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.766 1.436 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.367 0.088 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.542 1.286 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.415 1.458 -0.757 1.00 0.00 H new ATOM 991 N VAL A 66 10.387 8.611 -0.712 1.00 0.00 N ATOM 992 CA VAL A 66 10.482 10.043 -0.976 1.00 0.00 C ATOM 993 C VAL A 66 11.910 10.437 -1.351 1.00 0.00 C ATOM 994 O VAL A 66 12.859 9.706 -1.067 1.00 0.00 O ATOM 995 CB VAL A 66 10.023 10.869 0.244 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.996 10.718 1.403 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.848 12.333 -0.132 1.00 0.00 C ATOM 0 H VAL A 66 10.739 8.327 0.202 1.00 0.00 H new ATOM 0 HA VAL A 66 9.821 10.261 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 66 9.056 10.484 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.648 11.310 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.055 9.669 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.983 11.066 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.524 12.897 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.797 12.732 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.098 12.420 -0.918 1.00 0.00 H new ATOM 1007 N ASP A 67 12.057 11.592 -1.993 1.00 0.00 N ATOM 1008 CA ASP A 67 13.372 12.072 -2.408 1.00 0.00 C ATOM 1009 C ASP A 67 13.530 13.562 -2.124 1.00 0.00 C ATOM 1010 O ASP A 67 14.126 14.294 -2.915 1.00 0.00 O ATOM 1011 CB ASP A 67 13.588 11.801 -3.896 1.00 0.00 C ATOM 1012 CG ASP A 67 15.056 11.782 -4.275 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.693 12.855 -4.235 1.00 0.00 O ATOM 1014 OD2 ASP A 67 15.568 10.694 -4.610 1.00 0.00 O ATOM 0 H ASP A 67 11.284 12.212 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 67 14.123 11.532 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.136 10.844 -4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.075 12.566 -4.480 1.00 0.00 H new ATOM 1019 N GLU A 68 12.994 14.005 -0.990 1.00 0.00 N ATOM 1020 CA GLU A 68 13.075 15.411 -0.593 1.00 0.00 C ATOM 1021 C GLU A 68 12.762 16.338 -1.766 1.00 0.00 C ATOM 1022 O GLU A 68 13.278 17.452 -1.843 1.00 0.00 O ATOM 1023 CB GLU A 68 14.465 15.725 -0.040 1.00 0.00 C ATOM 1024 CG GLU A 68 14.676 15.243 1.387 1.00 0.00 C ATOM 1025 CD GLU A 68 16.122 14.894 1.676 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.884 15.801 2.072 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.493 13.713 1.508 1.00 0.00 O ATOM 0 H GLU A 68 12.497 13.410 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 68 12.330 15.582 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.215 15.266 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.627 16.802 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.347 16.017 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.052 14.368 1.567 1.00 0.00 H new ATOM 1034 N SER A 69 11.917 15.867 -2.679 1.00 0.00 N ATOM 1035 CA SER A 69 11.541 16.654 -3.848 1.00 0.00 C ATOM 1036 C SER A 69 10.157 17.271 -3.676 1.00 0.00 C ATOM 1037 O SER A 69 9.827 18.268 -4.318 1.00 0.00 O ATOM 1038 CB SER A 69 11.571 15.783 -5.106 1.00 0.00 C ATOM 1039 OG SER A 69 12.895 15.394 -5.425 1.00 0.00 O ATOM 0 H SER A 69 11.481 14.946 -2.632 1.00 0.00 H new ATOM 0 HA SER A 69 12.264 17.462 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.955 14.897 -4.953 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.138 16.332 -5.942 1.00 0.00 H new ATOM 0 HG SER A 69 13.325 15.015 -4.630 1.00 0.00 H new ATOM 1045 N LYS A 70 9.350 16.672 -2.808 1.00 0.00 N ATOM 1046 CA LYS A 70 8.001 17.166 -2.552 1.00 0.00 C ATOM 1047 C LYS A 70 8.029 18.628 -2.108 1.00 0.00 C ATOM 1048 O LYS A 70 7.831 19.534 -2.917 1.00 0.00 O ATOM 1049 CB LYS A 70 7.311 16.303 -1.492 1.00 0.00 C ATOM 1050 CG LYS A 70 6.933 14.916 -1.986 1.00 0.00 C ATOM 1051 CD LYS A 70 5.958 14.987 -3.150 1.00 0.00 C ATOM 1052 CE LYS A 70 5.038 13.778 -3.180 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.746 12.551 -3.641 1.00 0.00 N ATOM 0 H LYS A 70 9.605 15.844 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 70 7.435 17.103 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.971 16.205 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.412 16.814 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.831 14.381 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.487 14.347 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.363 15.897 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.512 15.047 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.629 13.608 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.195 13.980 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.051 11.804 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.284 12.765 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.398 12.227 -2.898 1.00 0.00 H new ATOM 1067 N LYS A 71 8.280 18.851 -0.820 1.00 0.00 N ATOM 1068 CA LYS A 71 8.337 20.203 -0.275 1.00 0.00 C ATOM 1069 C LYS A 71 7.055 20.972 -0.577 1.00 0.00 C ATOM 1070 O LYS A 71 6.947 21.641 -1.605 1.00 0.00 O ATOM 1071 CB LYS A 71 9.542 20.954 -0.845 1.00 0.00 C ATOM 1072 CG LYS A 71 10.860 20.220 -0.662 1.00 0.00 C ATOM 1073 CD LYS A 71 12.017 21.189 -0.483 1.00 0.00 C ATOM 1074 CE LYS A 71 13.316 20.456 -0.186 1.00 0.00 C ATOM 1075 NZ LYS A 71 13.536 20.288 1.277 1.00 0.00 N ATOM 0 H LYS A 71 8.447 18.113 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 71 8.443 20.125 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.379 21.131 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.610 21.931 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.795 19.565 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.047 19.584 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.134 21.788 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.793 21.879 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.298 19.477 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.151 21.008 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.431 19.784 1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.578 21.223 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.752 19.740 1.685 1.00 0.00 H new ATOM 1089 N ARG A 72 6.086 20.872 0.327 1.00 0.00 N ATOM 1090 CA ARG A 72 4.810 21.559 0.159 1.00 0.00 C ATOM 1091 C ARG A 72 4.507 22.445 1.364 1.00 0.00 C ATOM 1092 O ARG A 72 4.665 22.027 2.511 1.00 0.00 O ATOM 1093 CB ARG A 72 3.685 20.541 -0.062 1.00 0.00 C ATOM 1094 CG ARG A 72 3.226 19.841 1.208 1.00 0.00 C ATOM 1095 CD ARG A 72 2.214 20.682 1.966 1.00 0.00 C ATOM 1096 NE ARG A 72 0.881 20.084 1.947 1.00 0.00 N ATOM 1097 CZ ARG A 72 -0.067 20.356 2.841 1.00 0.00 C ATOM 1098 NH1 ARG A 72 0.164 21.215 3.826 1.00 0.00 N ATOM 1099 NH2 ARG A 72 -1.252 19.767 2.750 1.00 0.00 N ATOM 0 H ARG A 72 6.160 20.322 1.183 1.00 0.00 H new ATOM 0 HA ARG A 72 4.877 22.200 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.833 21.049 -0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.023 19.790 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.785 18.877 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.086 19.640 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.543 20.802 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.170 21.679 1.528 1.00 0.00 H new ATOM 0 HE ARG A 72 0.664 19.419 1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.073 21.672 3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.567 21.418 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.436 19.106 1.995 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.979 19.975 3.435 1.00 0.00 H new ATOM 1113 N LYS A 73 4.072 23.673 1.095 1.00 0.00 N ATOM 1114 CA LYS A 73 3.748 24.620 2.156 1.00 0.00 C ATOM 1115 C LYS A 73 2.438 24.240 2.839 1.00 0.00 C ATOM 1116 O LYS A 73 1.538 23.684 2.212 1.00 0.00 O ATOM 1117 CB LYS A 73 3.648 26.041 1.595 1.00 0.00 C ATOM 1118 CG LYS A 73 4.718 26.375 0.565 1.00 0.00 C ATOM 1119 CD LYS A 73 6.116 26.163 1.123 1.00 0.00 C ATOM 1120 CE LYS A 73 7.053 25.579 0.076 1.00 0.00 C ATOM 1121 NZ LYS A 73 8.322 26.353 -0.028 1.00 0.00 N ATOM 0 H LYS A 73 3.936 24.035 0.151 1.00 0.00 H new ATOM 0 HA LYS A 73 4.550 24.586 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.666 26.173 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.716 26.752 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.580 25.752 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.606 27.411 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.514 27.113 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.068 25.495 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.279 24.543 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.554 25.569 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.118 25.698 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.266 27.005 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.469 26.897 0.846 1.00 0.00 H new ATOM 1135 N ASP A 74 2.337 24.546 4.129 1.00 0.00 N ATOM 1136 CA ASP A 74 1.135 24.236 4.894 1.00 0.00 C ATOM 1137 C ASP A 74 0.298 25.486 5.127 1.00 0.00 C ATOM 1138 O ASP A 74 -0.929 25.421 5.201 1.00 0.00 O ATOM 1139 CB ASP A 74 1.505 23.596 6.233 1.00 0.00 C ATOM 1140 CG ASP A 74 0.467 22.597 6.704 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -0.738 22.856 6.507 1.00 0.00 O ATOM 1142 OD2 ASP A 74 0.860 21.555 7.270 1.00 0.00 O ATOM 0 H ASP A 74 3.072 25.007 4.665 1.00 0.00 H new ATOM 0 HA ASP A 74 0.541 23.529 4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.469 23.097 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.622 24.376 6.985 1.00 0.00 H new ATOM 1147 N ASN A 75 0.972 26.623 5.239 1.00 0.00 N ATOM 1148 CA ASN A 75 0.302 27.903 5.461 1.00 0.00 C ATOM 1149 C ASN A 75 1.304 28.990 5.829 1.00 0.00 C ATOM 1150 O ASN A 75 1.107 30.164 5.517 1.00 0.00 O ATOM 1151 CB ASN A 75 -0.756 27.777 6.564 1.00 0.00 C ATOM 1152 CG ASN A 75 -2.167 27.733 6.009 1.00 0.00 C ATOM 1153 OD1 ASN A 75 -2.881 26.745 6.176 1.00 0.00 O ATOM 1154 ND2 ASN A 75 -2.574 28.806 5.343 1.00 0.00 N ATOM 0 H ASN A 75 1.988 26.687 5.180 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.189 28.184 4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.568 26.873 7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.664 28.619 7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.513 28.834 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.948 29.603 5.229 1.00 0.00 H new ATOM 1161 N GLU A 76 2.375 28.589 6.499 1.00 0.00 N ATOM 1162 CA GLU A 76 3.412 29.526 6.917 1.00 0.00 C ATOM 1163 C GLU A 76 4.659 29.398 6.047 1.00 0.00 C ATOM 1164 O GLU A 76 5.748 29.808 6.447 1.00 0.00 O ATOM 1165 CB GLU A 76 3.776 29.289 8.383 1.00 0.00 C ATOM 1166 CG GLU A 76 4.250 30.540 9.103 1.00 0.00 C ATOM 1167 CD GLU A 76 3.723 30.631 10.522 1.00 0.00 C ATOM 1168 OE1 GLU A 76 2.614 30.118 10.777 1.00 0.00 O ATOM 1169 OE2 GLU A 76 4.421 31.216 11.378 1.00 0.00 O ATOM 0 H GLU A 76 2.550 27.620 6.766 1.00 0.00 H new ATOM 0 HA GLU A 76 3.017 30.535 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.907 28.888 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.558 28.531 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.340 30.553 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.931 31.420 8.544 1.00 0.00 H new ATOM 1176 N GLY A 77 4.497 28.828 4.855 1.00 0.00 N ATOM 1177 CA GLY A 77 5.623 28.661 3.954 1.00 0.00 C ATOM 1178 C GLY A 77 6.786 27.936 4.605 1.00 0.00 C ATOM 1179 O GLY A 77 7.947 28.257 4.351 1.00 0.00 O ATOM 0 H GLY A 77 3.607 28.480 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.300 28.106 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.956 29.640 3.609 1.00 0.00 H new ATOM 1183 N ASN A 78 6.472 26.958 5.448 1.00 0.00 N ATOM 1184 CA ASN A 78 7.499 26.185 6.141 1.00 0.00 C ATOM 1185 C ASN A 78 8.028 25.051 5.275 1.00 0.00 C ATOM 1186 O ASN A 78 8.869 24.265 5.713 1.00 0.00 O ATOM 1187 CB ASN A 78 6.942 25.622 7.446 1.00 0.00 C ATOM 1188 CG ASN A 78 6.678 26.701 8.478 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.456 27.644 8.620 1.00 0.00 O ATOM 1190 ND2 ASN A 78 5.575 26.566 9.205 1.00 0.00 N ATOM 0 H ASN A 78 5.515 26.681 5.668 1.00 0.00 H new ATOM 0 HA ASN A 78 8.328 26.858 6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.015 25.086 7.240 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.646 24.897 7.855 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.344 27.261 9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.959 25.768 9.053 1.00 0.00 H new ATOM 1197 N GLU A 79 7.540 24.977 4.044 1.00 0.00 N ATOM 1198 CA GLU A 79 7.960 23.954 3.104 1.00 0.00 C ATOM 1199 C GLU A 79 8.074 22.581 3.765 1.00 0.00 C ATOM 1200 O GLU A 79 9.172 22.088 4.016 1.00 0.00 O ATOM 1201 CB GLU A 79 9.286 24.357 2.465 1.00 0.00 C ATOM 1202 CG GLU A 79 10.393 24.639 3.469 1.00 0.00 C ATOM 1203 CD GLU A 79 11.741 24.848 2.807 1.00 0.00 C ATOM 1204 OE1 GLU A 79 11.895 25.852 2.080 1.00 0.00 O ATOM 1205 OE2 GLU A 79 12.641 24.007 3.015 1.00 0.00 O ATOM 0 H GLU A 79 6.844 25.624 3.673 1.00 0.00 H new ATOM 0 HA GLU A 79 7.196 23.872 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.611 23.562 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.128 25.245 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.136 25.526 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.462 23.808 4.171 1.00 0.00 H new ATOM 1212 N VAL A 80 6.927 21.969 4.041 1.00 0.00 N ATOM 1213 CA VAL A 80 6.892 20.657 4.670 1.00 0.00 C ATOM 1214 C VAL A 80 7.220 19.555 3.671 1.00 0.00 C ATOM 1215 O VAL A 80 7.025 19.715 2.466 1.00 0.00 O ATOM 1216 CB VAL A 80 5.521 20.369 5.290 1.00 0.00 C ATOM 1217 CG1 VAL A 80 5.530 19.047 6.046 1.00 0.00 C ATOM 1218 CG2 VAL A 80 5.093 21.513 6.198 1.00 0.00 C ATOM 0 H VAL A 80 6.008 22.363 3.838 1.00 0.00 H new ATOM 0 HA VAL A 80 7.647 20.669 5.457 1.00 0.00 H new ATOM 0 HB VAL A 80 4.794 20.285 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.545 18.867 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.780 18.237 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.272 19.089 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.117 21.290 6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.823 21.635 6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.032 22.434 5.618 1.00 0.00 H new ATOM 1228 N VAL A 81 7.708 18.431 4.182 1.00 0.00 N ATOM 1229 CA VAL A 81 8.051 17.293 3.341 1.00 0.00 C ATOM 1230 C VAL A 81 7.081 16.141 3.586 1.00 0.00 C ATOM 1231 O VAL A 81 7.400 15.191 4.301 1.00 0.00 O ATOM 1232 CB VAL A 81 9.493 16.810 3.599 1.00 0.00 C ATOM 1233 CG1 VAL A 81 9.848 15.657 2.671 1.00 0.00 C ATOM 1234 CG2 VAL A 81 10.477 17.958 3.435 1.00 0.00 C ATOM 0 H VAL A 81 7.875 18.284 5.177 1.00 0.00 H new ATOM 0 HA VAL A 81 7.978 17.621 2.304 1.00 0.00 H new ATOM 0 HB VAL A 81 9.556 16.450 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.869 15.331 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.163 14.827 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.767 15.986 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.489 17.599 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.412 18.351 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.236 18.748 4.146 1.00 0.00 H new ATOM 1244 N PRO A 82 5.875 16.215 2.995 1.00 0.00 N ATOM 1245 CA PRO A 82 4.848 15.183 3.151 1.00 0.00 C ATOM 1246 C PRO A 82 5.418 13.770 3.100 1.00 0.00 C ATOM 1247 O PRO A 82 6.483 13.540 2.529 1.00 0.00 O ATOM 1248 CB PRO A 82 3.932 15.432 1.956 1.00 0.00 C ATOM 1249 CG PRO A 82 4.024 16.899 1.713 1.00 0.00 C ATOM 1250 CD PRO A 82 5.413 17.318 2.129 1.00 0.00 C ATOM 0 HA PRO A 82 4.350 15.245 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.255 14.864 1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.907 15.129 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.848 17.130 0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.269 17.435 2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.066 17.448 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.400 18.267 2.665 1.00 0.00 H new ATOM 1258 N LYS A 83 4.697 12.829 3.704 1.00 0.00 N ATOM 1259 CA LYS A 83 5.120 11.431 3.734 1.00 0.00 C ATOM 1260 C LYS A 83 5.613 10.974 2.365 1.00 0.00 C ATOM 1261 O LYS A 83 5.393 11.642 1.356 1.00 0.00 O ATOM 1262 CB LYS A 83 3.969 10.537 4.200 1.00 0.00 C ATOM 1263 CG LYS A 83 2.638 10.867 3.543 1.00 0.00 C ATOM 1264 CD LYS A 83 1.631 9.745 3.732 1.00 0.00 C ATOM 1265 CE LYS A 83 1.346 9.491 5.203 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.120 10.759 5.951 1.00 0.00 N ATOM 0 H LYS A 83 3.814 13.010 4.181 1.00 0.00 H new ATOM 0 HA LYS A 83 5.946 11.347 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.220 9.497 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.864 10.628 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.241 11.789 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.791 11.045 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.703 9.998 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.011 8.833 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.468 8.852 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.182 8.951 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.537 10.568 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.035 11.155 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.631 11.441 5.338 1.00 0.00 H new ATOM 1280 N PRO A 84 6.310 9.831 2.326 1.00 0.00 N ATOM 1281 CA PRO A 84 6.874 9.270 1.099 1.00 0.00 C ATOM 1282 C PRO A 84 5.854 8.475 0.290 1.00 0.00 C ATOM 1283 O PRO A 84 6.142 7.372 -0.173 1.00 0.00 O ATOM 1284 CB PRO A 84 7.994 8.346 1.622 1.00 0.00 C ATOM 1285 CG PRO A 84 8.013 8.536 3.110 1.00 0.00 C ATOM 1286 CD PRO A 84 6.640 8.995 3.476 1.00 0.00 C ATOM 0 HA PRO A 84 7.220 10.046 0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.797 7.306 1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.956 8.608 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.264 7.606 3.620 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.763 9.272 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.945 8.164 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.628 9.556 4.411 1.00 0.00 H new ATOM 1294 N GLN A 85 4.665 9.044 0.115 1.00 0.00 N ATOM 1295 CA GLN A 85 3.607 8.390 -0.645 1.00 0.00 C ATOM 1296 C GLN A 85 3.234 7.047 -0.023 1.00 0.00 C ATOM 1297 O GLN A 85 4.068 6.375 0.580 1.00 0.00 O ATOM 1298 CB GLN A 85 4.044 8.187 -2.096 1.00 0.00 C ATOM 1299 CG GLN A 85 4.112 9.477 -2.896 1.00 0.00 C ATOM 1300 CD GLN A 85 3.596 9.313 -4.312 1.00 0.00 C ATOM 1301 OE1 GLN A 85 4.260 8.720 -5.163 1.00 0.00 O ATOM 1302 NE2 GLN A 85 2.405 9.840 -4.572 1.00 0.00 N ATOM 0 H GLN A 85 4.411 9.958 0.490 1.00 0.00 H new ATOM 0 HA GLN A 85 2.729 9.035 -0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.024 7.709 -2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.350 7.503 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.530 10.246 -2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.144 9.827 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.889 10.323 -3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.006 9.762 -5.507 1.00 0.00 H new ATOM 1311 N ARG A 86 1.972 6.663 -0.177 1.00 0.00 N ATOM 1312 CA ARG A 86 1.486 5.400 0.365 1.00 0.00 C ATOM 1313 C ARG A 86 0.120 5.057 -0.217 1.00 0.00 C ATOM 1314 O ARG A 86 -0.797 5.878 -0.190 1.00 0.00 O ATOM 1315 CB ARG A 86 1.403 5.471 1.891 1.00 0.00 C ATOM 1316 CG ARG A 86 0.675 6.703 2.405 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.793 6.412 2.673 1.00 0.00 C ATOM 1318 NE ARG A 86 -1.250 7.014 3.924 1.00 0.00 N ATOM 1319 CZ ARG A 86 -2.532 7.154 4.253 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -3.486 6.740 3.428 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.862 7.711 5.410 1.00 0.00 N ATOM 0 H ARG A 86 1.267 7.208 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 86 2.190 4.616 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.896 4.579 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.412 5.458 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.151 7.052 3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.760 7.508 1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.395 6.791 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.948 5.334 2.711 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.546 7.346 4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.238 6.312 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.467 6.850 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.133 8.032 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.844 7.818 5.662 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.014 3.844 -0.743 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.274 3.410 -1.327 1.00 0.00 C ATOM 1337 C HIS A 87 -2.114 2.679 -0.288 1.00 0.00 C ATOM 1338 O HIS A 87 -1.765 1.580 0.143 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.012 2.505 -2.532 1.00 0.00 C ATOM 1340 CG HIS A 87 0.158 2.945 -3.357 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.044 3.797 -4.436 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.478 2.657 -3.245 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.241 4.014 -4.952 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.128 3.335 -4.248 1.00 0.00 N ATOM 0 H HIS A 87 0.731 3.148 -0.776 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.826 4.288 -1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.840 1.487 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.902 2.480 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.933 2.015 -2.506 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.457 4.640 -5.805 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.133 3.317 -4.421 1.00 0.00 H new ATOM 1353 N MET A 88 -3.216 3.300 0.116 1.00 0.00 N ATOM 1354 CA MET A 88 -4.100 2.714 1.115 1.00 0.00 C ATOM 1355 C MET A 88 -5.234 1.935 0.461 1.00 0.00 C ATOM 1356 O MET A 88 -6.049 2.497 -0.270 1.00 0.00 O ATOM 1357 CB MET A 88 -4.674 3.804 2.021 1.00 0.00 C ATOM 1358 CG MET A 88 -5.498 3.263 3.178 1.00 0.00 C ATOM 1359 SD MET A 88 -5.629 4.432 4.544 1.00 0.00 S ATOM 1360 CE MET A 88 -6.384 3.401 5.800 1.00 0.00 C ATOM 0 H MET A 88 -3.518 4.209 -0.233 1.00 0.00 H new ATOM 0 HA MET A 88 -3.511 2.021 1.715 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.855 4.403 2.418 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.296 4.471 1.424 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.497 3.013 2.822 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.048 2.338 3.538 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.225 3.930 6.248 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.738 2.475 5.346 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.649 3.169 6.571 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.279 0.637 0.735 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.313 -0.225 0.184 1.00 0.00 C ATOM 1372 C PHE A 89 -7.173 -0.812 1.297 1.00 0.00 C ATOM 1373 O PHE A 89 -6.683 -1.565 2.139 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.683 -1.355 -0.632 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.845 -0.874 -1.784 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.430 -0.560 -3.000 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.473 -0.743 -1.652 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.661 -0.124 -4.062 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.699 -0.307 -2.711 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.293 0.003 -3.917 1.00 0.00 C ATOM 0 H PHE A 89 -4.609 0.159 1.337 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.946 0.377 -0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.064 -1.965 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.474 -2.000 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.499 -0.657 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.002 -0.984 -0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.129 0.117 -5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.630 -0.209 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.690 0.344 -4.746 1.00 0.00 H new ATOM 1390 N SER A 90 -8.455 -0.468 1.298 1.00 0.00 N ATOM 1391 CA SER A 90 -9.374 -0.969 2.313 1.00 0.00 C ATOM 1392 C SER A 90 -10.096 -2.212 1.813 1.00 0.00 C ATOM 1393 O SER A 90 -10.873 -2.153 0.860 1.00 0.00 O ATOM 1394 CB SER A 90 -10.392 0.104 2.696 1.00 0.00 C ATOM 1395 OG SER A 90 -10.736 0.016 4.068 1.00 0.00 O ATOM 0 H SER A 90 -8.881 0.153 0.610 1.00 0.00 H new ATOM 0 HA SER A 90 -8.792 -1.231 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.981 1.091 2.484 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.288 -0.007 2.086 1.00 0.00 H new ATOM 0 HG SER A 90 -10.023 0.413 4.610 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.828 -3.337 2.459 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.442 -4.600 2.081 1.00 0.00 C ATOM 1403 C PHE A 91 -11.756 -4.823 2.821 1.00 0.00 C ATOM 1404 O PHE A 91 -11.912 -4.413 3.971 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.485 -5.753 2.372 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.400 -5.897 1.348 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.587 -4.824 1.024 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.195 -7.107 0.710 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.588 -4.956 0.079 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.201 -7.247 -0.236 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.394 -6.169 -0.553 1.00 0.00 C ATOM 0 H PHE A 91 -9.187 -3.400 3.250 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.656 -4.562 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.032 -5.601 3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.052 -6.682 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.735 -3.874 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.821 -7.952 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.960 -4.112 -0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.053 -8.197 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.614 -6.275 -1.293 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.690 -5.490 2.156 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.987 -5.791 2.748 1.00 0.00 C ATOM 1423 C ASN A 92 -14.094 -7.284 3.038 1.00 0.00 C ATOM 1424 O ASN A 92 -15.183 -7.859 3.016 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.116 -5.354 1.813 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.558 -3.926 2.068 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.563 -3.685 2.736 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.805 -2.970 1.534 1.00 0.00 N ATOM 0 H ASN A 92 -12.573 -5.834 1.203 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.080 -5.240 3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.785 -5.450 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.967 -6.023 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.052 -1.990 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.980 -3.216 0.987 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.948 -7.905 3.300 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.889 -9.333 3.586 1.00 0.00 C ATOM 1437 C ASN A 93 -11.475 -9.744 3.968 1.00 0.00 C ATOM 1438 O ASN A 93 -10.547 -9.630 3.167 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.354 -10.135 2.369 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.805 -10.561 2.473 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.440 -10.400 3.515 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.336 -11.110 1.387 1.00 0.00 N ATOM 0 H ASN A 93 -12.042 -7.437 3.320 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.552 -9.543 4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.219 -9.535 1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.726 -11.019 2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.308 -11.418 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.772 -11.224 0.545 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.316 -10.232 5.194 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.011 -10.668 5.674 1.00 0.00 C ATOM 1451 C ARG A 94 -9.455 -11.783 4.793 1.00 0.00 C ATOM 1452 O ARG A 94 -8.266 -12.096 4.851 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.111 -11.148 7.123 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.760 -11.399 7.776 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.342 -10.235 8.662 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.029 -10.668 10.023 1.00 0.00 N ATOM 1457 CZ ARG A 94 -8.950 -10.946 10.942 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.241 -10.837 10.653 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -8.580 -11.334 12.155 1.00 0.00 N ATOM 0 H ARG A 94 -12.072 -10.335 5.871 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.330 -9.818 5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.655 -10.405 7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.696 -12.067 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.806 -12.311 8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.006 -11.559 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.471 -9.744 8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.143 -9.496 8.692 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.047 -10.762 10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.532 -10.539 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.942 -11.052 11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.590 -11.419 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.286 -11.547 12.860 1.00 0.00 H new ATOM 1473 N THR A 95 -10.316 -12.378 3.971 1.00 0.00 N ATOM 1474 CA THR A 95 -9.894 -13.446 3.080 1.00 0.00 C ATOM 1475 C THR A 95 -9.085 -12.878 1.922 1.00 0.00 C ATOM 1476 O THR A 95 -7.980 -13.337 1.635 1.00 0.00 O ATOM 1477 CB THR A 95 -11.117 -14.212 2.575 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.283 -15.421 3.293 1.00 0.00 O ATOM 1479 CG2 THR A 95 -11.065 -14.558 1.104 1.00 0.00 C ATOM 0 H THR A 95 -11.305 -12.137 3.906 1.00 0.00 H new ATOM 0 HA THR A 95 -9.255 -14.140 3.626 1.00 0.00 H new ATOM 0 HB THR A 95 -11.955 -13.533 2.733 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.072 -15.896 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.969 -15.100 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.996 -13.642 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.193 -15.182 0.908 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.639 -11.864 1.270 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.960 -11.220 0.152 1.00 0.00 C ATOM 1489 C VAL A 96 -7.689 -10.552 0.643 1.00 0.00 C ATOM 1490 O VAL A 96 -6.634 -10.657 0.016 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.839 -10.161 -0.553 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.700 -10.271 -2.064 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.295 -10.284 -0.130 1.00 0.00 C ATOM 0 H VAL A 96 -10.553 -11.471 1.494 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.735 -12.002 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.489 -9.175 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.326 -9.518 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.659 -10.111 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.015 -11.263 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.888 -9.526 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.667 -11.274 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.374 -10.140 0.947 1.00 0.00 H new ATOM 1503 N MET A 97 -7.795 -9.871 1.779 1.00 0.00 N ATOM 1504 CA MET A 97 -6.647 -9.196 2.363 1.00 0.00 C ATOM 1505 C MET A 97 -5.595 -10.219 2.770 1.00 0.00 C ATOM 1506 O MET A 97 -4.396 -9.983 2.626 1.00 0.00 O ATOM 1507 CB MET A 97 -7.075 -8.343 3.561 1.00 0.00 C ATOM 1508 CG MET A 97 -7.126 -9.094 4.881 1.00 0.00 C ATOM 1509 SD MET A 97 -5.555 -9.061 5.760 1.00 0.00 S ATOM 1510 CE MET A 97 -6.002 -8.051 7.167 1.00 0.00 C ATOM 0 H MET A 97 -8.661 -9.773 2.310 1.00 0.00 H new ATOM 0 HA MET A 97 -6.212 -8.530 1.618 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.385 -7.505 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.060 -7.922 3.358 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.900 -8.658 5.513 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.412 -10.129 4.695 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.378 -7.157 7.186 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.050 -7.761 7.088 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.851 -8.619 8.085 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.054 -11.367 3.261 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.146 -12.433 3.663 1.00 0.00 C ATOM 1522 C ASP A 98 -4.362 -12.926 2.455 1.00 0.00 C ATOM 1523 O ASP A 98 -3.228 -13.390 2.578 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.919 -13.589 4.303 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.020 -14.747 4.690 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.569 -15.478 3.784 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.767 -14.923 5.901 1.00 0.00 O ATOM 0 H ASP A 98 -7.043 -11.581 3.389 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.450 -12.039 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.440 -13.226 5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.680 -13.942 3.607 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.978 -12.807 1.284 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.350 -13.220 0.036 1.00 0.00 C ATOM 1534 C ASN A 99 -3.409 -12.132 -0.467 1.00 0.00 C ATOM 1535 O ASN A 99 -2.196 -12.322 -0.523 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.414 -13.522 -1.023 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.560 -14.353 -0.478 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -7.723 -14.116 -0.803 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -6.236 -15.332 0.358 1.00 0.00 N ATOM 0 H ASN A 99 -5.917 -12.425 1.174 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.774 -14.126 0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.805 -12.584 -1.417 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.952 -14.050 -1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.965 -15.923 0.758 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.258 -15.493 0.600 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.978 -10.985 -0.826 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.190 -9.859 -1.319 1.00 0.00 C ATOM 1548 C ILE A 100 -1.984 -9.595 -0.423 1.00 0.00 C ATOM 1549 O ILE A 100 -0.841 -9.606 -0.878 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.039 -8.572 -1.399 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.226 -8.772 -2.343 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.187 -7.391 -1.849 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.835 -8.836 -3.800 1.00 0.00 C ATOM 0 H ILE A 100 -4.982 -10.810 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.848 -10.128 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.424 -8.353 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.743 -9.693 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.934 -7.956 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.805 -6.494 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.377 -7.234 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.769 -7.598 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.727 -8.979 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.345 -7.906 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.151 -9.670 -3.957 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.254 -9.349 0.852 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.204 -9.067 1.822 1.00 0.00 C ATOM 1567 C LYS A 101 -0.087 -10.109 1.766 1.00 0.00 C ATOM 1568 O LYS A 101 1.084 -9.778 1.959 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.792 -9.018 3.233 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.843 -8.438 4.269 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.039 -9.528 4.960 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.903 -10.338 5.912 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.119 -10.866 7.062 1.00 0.00 N ATOM 0 H LYS A 101 -3.197 -9.339 1.240 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.774 -8.098 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.705 -8.423 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.074 -10.027 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.165 -7.733 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.411 -7.878 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.398 -10.189 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.788 -9.079 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.717 -9.715 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.358 -11.168 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.745 -11.412 7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.642 -11.481 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.295 -10.073 7.593 1.00 0.00 H new ATOM 1587 N MET A 102 -0.446 -11.364 1.506 1.00 0.00 N ATOM 1588 CA MET A 102 0.550 -12.428 1.436 1.00 0.00 C ATOM 1589 C MET A 102 1.201 -12.464 0.061 1.00 0.00 C ATOM 1590 O MET A 102 2.415 -12.632 -0.053 1.00 0.00 O ATOM 1591 CB MET A 102 -0.067 -13.789 1.786 1.00 0.00 C ATOM 1592 CG MET A 102 -0.979 -14.372 0.717 1.00 0.00 C ATOM 1593 SD MET A 102 -1.100 -16.169 0.819 1.00 0.00 S ATOM 1594 CE MET A 102 -2.183 -16.355 2.234 1.00 0.00 C ATOM 0 H MET A 102 -1.406 -11.666 1.342 1.00 0.00 H new ATOM 0 HA MET A 102 1.323 -12.215 2.174 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.738 -14.497 1.982 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.634 -13.687 2.711 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.974 -13.938 0.816 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.605 -14.091 -0.268 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.026 -17.334 2.686 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.963 -15.578 2.966 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.221 -16.267 1.912 1.00 0.00 H new ATOM 1604 N THR A 103 0.396 -12.294 -0.983 1.00 0.00 N ATOM 1605 CA THR A 103 0.907 -12.299 -2.335 1.00 0.00 C ATOM 1606 C THR A 103 1.986 -11.241 -2.502 1.00 0.00 C ATOM 1607 O THR A 103 3.083 -11.529 -2.980 1.00 0.00 O ATOM 1608 CB THR A 103 -0.230 -12.047 -3.313 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.471 -12.439 -2.757 1.00 0.00 O ATOM 1610 CG2 THR A 103 -0.063 -12.787 -4.607 1.00 0.00 C ATOM 0 H THR A 103 -0.611 -12.152 -0.911 1.00 0.00 H new ATOM 0 HA THR A 103 1.348 -13.274 -2.541 1.00 0.00 H new ATOM 0 HB THR A 103 -0.209 -10.975 -3.511 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.200 -12.131 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.905 -12.567 -5.263 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.864 -12.474 -5.088 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.026 -13.859 -4.411 1.00 0.00 H new ATOM 1618 N LEU A 104 1.676 -10.016 -2.089 1.00 0.00 N ATOM 1619 CA LEU A 104 2.634 -8.924 -2.179 1.00 0.00 C ATOM 1620 C LEU A 104 3.942 -9.336 -1.515 1.00 0.00 C ATOM 1621 O LEU A 104 5.013 -9.249 -2.115 1.00 0.00 O ATOM 1622 CB LEU A 104 2.086 -7.663 -1.504 1.00 0.00 C ATOM 1623 CG LEU A 104 0.680 -7.238 -1.935 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.023 -6.507 -0.800 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.741 -6.357 -3.170 1.00 0.00 C ATOM 0 H LEU A 104 0.773 -9.757 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 104 2.811 -8.703 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.083 -7.822 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.772 -6.839 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 104 0.111 -8.135 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.022 -6.211 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.101 -7.166 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.549 -5.620 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.269 -6.066 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.327 -5.464 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.208 -6.907 -3.987 1.00 0.00 H new ATOM 1637 N GLN A 105 3.834 -9.800 -0.272 1.00 0.00 N ATOM 1638 CA GLN A 105 4.994 -10.244 0.491 1.00 0.00 C ATOM 1639 C GLN A 105 5.768 -11.320 -0.266 1.00 0.00 C ATOM 1640 O GLN A 105 6.992 -11.248 -0.383 1.00 0.00 O ATOM 1641 CB GLN A 105 4.556 -10.796 1.850 1.00 0.00 C ATOM 1642 CG GLN A 105 4.157 -9.726 2.849 1.00 0.00 C ATOM 1643 CD GLN A 105 5.352 -9.006 3.442 1.00 0.00 C ATOM 1644 OE1 GLN A 105 6.449 -9.559 3.517 1.00 0.00 O ATOM 1645 NE2 GLN A 105 5.144 -7.766 3.865 1.00 0.00 N ATOM 0 H GLN A 105 2.949 -9.878 0.229 1.00 0.00 H new ATOM 0 HA GLN A 105 5.645 -9.382 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.715 -11.473 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.370 -11.386 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.507 -9.001 2.359 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.577 -10.182 3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.217 -7.348 3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.911 -7.231 4.272 1.00 0.00 H new ATOM 1654 N GLN A 106 5.049 -12.320 -0.779 1.00 0.00 N ATOM 1655 CA GLN A 106 5.679 -13.410 -1.522 1.00 0.00 C ATOM 1656 C GLN A 106 6.617 -12.860 -2.588 1.00 0.00 C ATOM 1657 O GLN A 106 7.664 -13.439 -2.874 1.00 0.00 O ATOM 1658 CB GLN A 106 4.613 -14.299 -2.168 1.00 0.00 C ATOM 1659 CG GLN A 106 3.961 -15.270 -1.198 1.00 0.00 C ATOM 1660 CD GLN A 106 3.136 -16.329 -1.900 1.00 0.00 C ATOM 1661 OE1 GLN A 106 3.444 -16.731 -3.022 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.077 -16.787 -1.244 1.00 0.00 N ATOM 0 H GLN A 106 4.035 -12.397 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 106 6.262 -14.010 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.843 -13.666 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.067 -14.863 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.733 -15.754 -0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.324 -14.716 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.857 -16.427 -0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.483 -17.499 -1.668 1.00 0.00 H new ATOM 1671 N ILE A 107 6.229 -11.730 -3.161 1.00 0.00 N ATOM 1672 CA ILE A 107 7.023 -11.075 -4.187 1.00 0.00 C ATOM 1673 C ILE A 107 8.071 -10.169 -3.553 1.00 0.00 C ATOM 1674 O ILE A 107 9.258 -10.263 -3.860 1.00 0.00 O ATOM 1675 CB ILE A 107 6.136 -10.249 -5.132 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.887 -11.041 -5.532 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.930 -9.850 -6.357 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.748 -10.169 -6.017 1.00 0.00 C ATOM 0 H ILE A 107 5.362 -11.245 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 107 7.520 -11.853 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 107 5.809 -9.348 -4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.152 -11.749 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.548 -11.625 -4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.298 -9.264 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.790 -9.253 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.274 -10.745 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.897 -10.796 -6.283 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.456 -9.478 -5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.069 -9.604 -6.892 1.00 0.00 H new ATOM 1690 N ILE A 108 7.616 -9.299 -2.660 1.00 0.00 N ATOM 1691 CA ILE A 108 8.502 -8.368 -1.956 1.00 0.00 C ATOM 1692 C ILE A 108 9.783 -9.046 -1.508 1.00 0.00 C ATOM 1693 O ILE A 108 10.881 -8.622 -1.859 1.00 0.00 O ATOM 1694 CB ILE A 108 7.823 -7.755 -0.717 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.440 -7.197 -1.088 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.722 -6.685 -0.104 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.194 -5.769 -0.647 1.00 0.00 C ATOM 0 H ILE A 108 6.633 -9.215 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 108 8.734 -7.578 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 108 7.672 -8.531 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.318 -7.255 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.675 -7.836 -0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.234 -6.257 0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.671 -7.133 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.905 -5.900 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.194 -5.461 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.279 -5.703 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.932 -5.113 -1.109 1.00 0.00 H new ATOM 1709 N SER A 109 9.626 -10.101 -0.732 1.00 0.00 N ATOM 1710 CA SER A 109 10.768 -10.857 -0.224 1.00 0.00 C ATOM 1711 C SER A 109 11.755 -11.171 -1.343 1.00 0.00 C ATOM 1712 O SER A 109 12.951 -11.337 -1.104 1.00 0.00 O ATOM 1713 CB SER A 109 10.297 -12.149 0.440 1.00 0.00 C ATOM 1714 OG SER A 109 11.372 -13.056 0.612 1.00 0.00 O ATOM 0 H SER A 109 8.718 -10.459 -0.436 1.00 0.00 H new ATOM 0 HA SER A 109 11.277 -10.243 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.850 -11.922 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.520 -12.612 -0.169 1.00 0.00 H new ATOM 0 HG SER A 109 11.044 -13.874 1.040 1.00 0.00 H new ATOM 1720 N ARG A 110 11.241 -11.247 -2.563 1.00 0.00 N ATOM 1721 CA ARG A 110 12.067 -11.534 -3.727 1.00 0.00 C ATOM 1722 C ARG A 110 12.942 -10.338 -4.085 1.00 0.00 C ATOM 1723 O ARG A 110 13.999 -10.495 -4.691 1.00 0.00 O ATOM 1724 CB ARG A 110 11.196 -11.922 -4.923 1.00 0.00 C ATOM 1725 CG ARG A 110 10.106 -12.925 -4.582 1.00 0.00 C ATOM 1726 CD ARG A 110 9.309 -13.326 -5.813 1.00 0.00 C ATOM 1727 NE ARG A 110 10.137 -14.015 -6.802 1.00 0.00 N ATOM 1728 CZ ARG A 110 10.841 -13.394 -7.747 1.00 0.00 C ATOM 1729 NH1 ARG A 110 10.826 -12.070 -7.839 1.00 0.00 N ATOM 1730 NH2 ARG A 110 11.566 -14.101 -8.603 1.00 0.00 N ATOM 0 H ARG A 110 10.252 -11.113 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 110 12.716 -12.373 -3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.736 -11.023 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.831 -12.340 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.554 -13.812 -4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.435 -12.495 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.485 -13.974 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.869 -12.437 -6.265 1.00 0.00 H new ATOM 0 HE ARG A 110 10.178 -15.034 -6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.272 -11.519 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.368 -11.603 -8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.584 -15.119 -8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.106 -13.627 -9.327 1.00 0.00 H new ATOM 1744 N TYR A 111 12.503 -9.145 -3.700 1.00 0.00 N ATOM 1745 CA TYR A 111 13.260 -7.930 -3.979 1.00 0.00 C ATOM 1746 C TYR A 111 14.446 -7.845 -3.034 1.00 0.00 C ATOM 1747 O TYR A 111 15.524 -7.383 -3.404 1.00 0.00 O ATOM 1748 CB TYR A 111 12.401 -6.665 -3.823 1.00 0.00 C ATOM 1749 CG TYR A 111 10.943 -6.799 -4.229 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.483 -7.873 -4.988 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.021 -5.831 -3.843 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.156 -7.974 -5.344 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.689 -5.928 -4.197 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.262 -7.000 -4.946 1.00 0.00 C ATOM 1755 OH TYR A 111 6.937 -7.100 -5.299 1.00 0.00 O ATOM 0 H TYR A 111 11.630 -8.993 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 111 13.596 -7.982 -5.015 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.440 -6.349 -2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.851 -5.868 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.177 -8.638 -5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.353 -4.988 -3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.816 -8.813 -5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 111 7.988 -5.167 -3.888 1.00 0.00 H new ATOM 0 HH TYR A 111 6.399 -7.283 -4.501 1.00 0.00 H new ATOM 1765 N LYS A 112 14.234 -8.319 -1.810 1.00 0.00 N ATOM 1766 CA LYS A 112 15.280 -8.326 -0.801 1.00 0.00 C ATOM 1767 C LYS A 112 16.133 -9.545 -1.029 1.00 0.00 C ATOM 1768 O LYS A 112 17.363 -9.494 -1.002 1.00 0.00 O ATOM 1769 CB LYS A 112 14.719 -8.344 0.627 1.00 0.00 C ATOM 1770 CG LYS A 112 13.228 -8.574 0.690 1.00 0.00 C ATOM 1771 CD LYS A 112 12.490 -7.412 0.071 1.00 0.00 C ATOM 1772 CE LYS A 112 12.630 -6.160 0.905 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.391 -5.336 0.891 1.00 0.00 N ATOM 0 H LYS A 112 13.343 -8.704 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 112 15.862 -7.409 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.223 -9.125 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.952 -7.396 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.973 -9.495 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.917 -8.700 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.875 -7.227 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.435 -7.664 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.871 -6.434 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.464 -5.566 0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.610 -4.374 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.014 -5.293 -0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.682 -5.764 1.520 1.00 0.00 H new ATOM 1787 N ASP A 113 15.440 -10.640 -1.292 1.00 0.00 N ATOM 1788 CA ASP A 113 16.091 -11.905 -1.578 1.00 0.00 C ATOM 1789 C ASP A 113 16.944 -11.751 -2.825 1.00 0.00 C ATOM 1790 O ASP A 113 18.002 -12.367 -2.956 1.00 0.00 O ATOM 1791 CB ASP A 113 15.056 -13.015 -1.774 1.00 0.00 C ATOM 1792 CG ASP A 113 15.696 -14.380 -1.929 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.593 -14.711 -1.125 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.299 -15.119 -2.855 1.00 0.00 O ATOM 0 H ASP A 113 14.421 -10.677 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 113 16.723 -12.183 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.377 -13.030 -0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.455 -12.796 -2.657 1.00 0.00 H new ATOM 1799 N ALA A 114 16.476 -10.897 -3.730 1.00 0.00 N ATOM 1800 CA ALA A 114 17.193 -10.621 -4.959 1.00 0.00 C ATOM 1801 C ALA A 114 18.109 -9.413 -4.790 1.00 0.00 C ATOM 1802 O ALA A 114 19.044 -9.217 -5.566 1.00 0.00 O ATOM 1803 CB ALA A 114 16.226 -10.397 -6.111 1.00 0.00 C ATOM 0 H ALA A 114 15.600 -10.385 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 114 17.808 -11.490 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.787 -10.192 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.617 -11.290 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.580 -9.549 -5.884 1.00 0.00 H new ATOM 1809 N ASP A 115 17.834 -8.603 -3.765 1.00 0.00 N ATOM 1810 CA ASP A 115 18.638 -7.412 -3.493 1.00 0.00 C ATOM 1811 C ASP A 115 20.126 -7.748 -3.468 1.00 0.00 C ATOM 1812 O ASP A 115 20.882 -7.142 -4.257 1.00 0.00 O ATOM 1813 CB ASP A 115 18.225 -6.786 -2.160 1.00 0.00 C ATOM 1814 CG ASP A 115 18.974 -5.502 -1.866 1.00 0.00 C ATOM 1815 OD1 ASP A 115 18.674 -4.477 -2.516 1.00 0.00 O ATOM 1816 OD2 ASP A 115 19.861 -5.518 -0.987 1.00 0.00 O ATOM 0 H ASP A 115 17.064 -8.750 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 115 18.460 -6.697 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.154 -6.583 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.404 -7.500 -1.356 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N ASP B 661 -20.380 1.997 13.077 1.00 0.00 N ATOM 1823 CA ASP B 661 -19.588 2.931 13.919 1.00 0.00 C ATOM 1824 C ASP B 661 -18.091 2.738 13.698 1.00 0.00 C ATOM 1825 O ASP B 661 -17.474 1.860 14.298 1.00 0.00 O ATOM 1826 CB ASP B 661 -19.941 2.683 15.386 1.00 0.00 C ATOM 1827 CG ASP B 661 -19.690 1.249 15.807 1.00 0.00 C ATOM 1828 OD1 ASP B 661 -20.459 0.362 15.382 1.00 0.00 O ATOM 1829 OD2 ASP B 661 -18.723 1.011 16.561 1.00 0.00 O ATOM 0 HA ASP B 661 -19.831 3.957 13.642 1.00 0.00 H new ATOM 0 HB2 ASP B 661 -19.354 3.352 16.016 1.00 0.00 H new ATOM 0 HB3 ASP B 661 -20.990 2.929 15.551 1.00 0.00 H new ATOM 1834 N LEU B 662 -17.515 3.567 12.833 1.00 0.00 N ATOM 1835 CA LEU B 662 -16.088 3.487 12.533 1.00 0.00 C ATOM 1836 C LEU B 662 -15.363 4.771 12.932 1.00 0.00 C ATOM 1837 O LEU B 662 -14.148 4.770 13.126 1.00 0.00 O ATOM 1838 CB LEU B 662 -15.859 3.195 11.044 1.00 0.00 C ATOM 1839 CG LEU B 662 -16.838 3.861 10.069 1.00 0.00 C ATOM 1840 CD1 LEU B 662 -18.213 3.214 10.154 1.00 0.00 C ATOM 1841 CD2 LEU B 662 -16.928 5.358 10.332 1.00 0.00 C ATOM 0 H LEU B 662 -18.012 4.301 12.328 1.00 0.00 H new ATOM 0 HA LEU B 662 -15.676 2.666 13.120 1.00 0.00 H new ATOM 0 HB2 LEU B 662 -14.848 3.509 10.784 1.00 0.00 H new ATOM 0 HB3 LEU B 662 -15.906 2.116 10.894 1.00 0.00 H new ATOM 0 HG LEU B 662 -16.459 3.716 9.058 1.00 0.00 H new ATOM 0 HD11 LEU B 662 -18.889 3.704 9.453 1.00 0.00 H new ATOM 0 HD12 LEU B 662 -18.134 2.156 9.903 1.00 0.00 H new ATOM 0 HD13 LEU B 662 -18.602 3.318 11.167 1.00 0.00 H new ATOM 0 HD21 LEU B 662 -17.628 5.810 9.629 1.00 0.00 H new ATOM 0 HD22 LEU B 662 -17.276 5.528 11.351 1.00 0.00 H new ATOM 0 HD23 LEU B 662 -15.944 5.810 10.205 1.00 0.00 H new ATOM 1853 N GLU B 663 -16.111 5.865 13.056 1.00 0.00 N ATOM 1854 CA GLU B 663 -15.530 7.149 13.433 1.00 0.00 C ATOM 1855 C GLU B 663 -14.422 7.555 12.466 1.00 0.00 C ATOM 1856 O GLU B 663 -13.245 7.290 12.711 1.00 0.00 O ATOM 1857 CB GLU B 663 -14.979 7.083 14.858 1.00 0.00 C ATOM 1858 CG GLU B 663 -15.996 7.459 15.923 1.00 0.00 C ATOM 1859 CD GLU B 663 -17.179 6.511 15.959 1.00 0.00 C ATOM 1860 OE1 GLU B 663 -17.878 6.394 14.931 1.00 0.00 O ATOM 1861 OE2 GLU B 663 -17.406 5.884 17.016 1.00 0.00 O ATOM 0 H GLU B 663 -17.119 5.887 12.901 1.00 0.00 H new ATOM 0 HA GLU B 663 -16.318 7.901 13.388 1.00 0.00 H new ATOM 0 HB2 GLU B 663 -14.619 6.073 15.053 1.00 0.00 H new ATOM 0 HB3 GLU B 663 -14.120 7.749 14.937 1.00 0.00 H new ATOM 0 HG2 GLU B 663 -15.510 7.465 16.899 1.00 0.00 H new ATOM 0 HG3 GLU B 663 -16.352 8.472 15.738 1.00 0.00 H new ATOM 1868 N VAL B 664 -14.810 8.202 11.367 1.00 0.00 N ATOM 1869 CA VAL B 664 -13.858 8.652 10.352 1.00 0.00 C ATOM 1870 C VAL B 664 -12.805 7.585 10.053 1.00 0.00 C ATOM 1871 O VAL B 664 -11.613 7.879 9.960 1.00 0.00 O ATOM 1872 CB VAL B 664 -13.159 9.961 10.780 1.00 0.00 C ATOM 1873 CG1 VAL B 664 -12.331 9.748 12.040 1.00 0.00 C ATOM 1874 CG2 VAL B 664 -12.294 10.502 9.648 1.00 0.00 C ATOM 0 H VAL B 664 -15.782 8.427 11.157 1.00 0.00 H new ATOM 0 HA VAL B 664 -14.432 8.837 9.444 1.00 0.00 H new ATOM 0 HB VAL B 664 -13.928 10.700 11.005 1.00 0.00 H new ATOM 0 HG11 VAL B 664 -11.849 10.684 12.321 1.00 0.00 H new ATOM 0 HG12 VAL B 664 -12.980 9.417 12.850 1.00 0.00 H new ATOM 0 HG13 VAL B 664 -11.570 8.990 11.852 1.00 0.00 H new ATOM 0 HG21 VAL B 664 -11.810 11.424 9.969 1.00 0.00 H new ATOM 0 HG22 VAL B 664 -11.534 9.765 9.387 1.00 0.00 H new ATOM 0 HG23 VAL B 664 -12.918 10.704 8.778 1.00 0.00 H new ATOM 1884 N LEU B 665 -13.257 6.344 9.901 1.00 0.00 N ATOM 1885 CA LEU B 665 -12.358 5.231 9.611 1.00 0.00 C ATOM 1886 C LEU B 665 -11.380 5.009 10.760 1.00 0.00 C ATOM 1887 O LEU B 665 -10.900 5.961 11.375 1.00 0.00 O ATOM 1888 CB LEU B 665 -11.589 5.492 8.314 1.00 0.00 C ATOM 1889 CG LEU B 665 -11.138 4.237 7.564 1.00 0.00 C ATOM 1890 CD1 LEU B 665 -10.047 3.513 8.339 1.00 0.00 C ATOM 1891 CD2 LEU B 665 -12.319 3.313 7.311 1.00 0.00 C ATOM 0 H LEU B 665 -14.240 6.083 9.974 1.00 0.00 H new ATOM 0 HA LEU B 665 -12.961 4.331 9.492 1.00 0.00 H new ATOM 0 HB2 LEU B 665 -12.217 6.087 7.651 1.00 0.00 H new ATOM 0 HB3 LEU B 665 -10.710 6.094 8.546 1.00 0.00 H new ATOM 0 HG LEU B 665 -10.728 4.541 6.601 1.00 0.00 H new ATOM 0 HD11 LEU B 665 -9.740 2.623 7.789 1.00 0.00 H new ATOM 0 HD12 LEU B 665 -9.190 4.175 8.466 1.00 0.00 H new ATOM 0 HD13 LEU B 665 -10.428 3.221 9.318 1.00 0.00 H new ATOM 0 HD21 LEU B 665 -11.979 2.426 6.777 1.00 0.00 H new ATOM 0 HD22 LEU B 665 -12.760 3.017 8.263 1.00 0.00 H new ATOM 0 HD23 LEU B 665 -13.066 3.833 6.712 1.00 0.00 H new ATOM 1903 N SER B 666 -11.089 3.743 11.045 1.00 0.00 N ATOM 1904 CA SER B 666 -10.168 3.392 12.119 1.00 0.00 C ATOM 1905 C SER B 666 -8.878 2.805 11.557 1.00 0.00 C ATOM 1906 O SER B 666 -8.556 1.640 11.791 1.00 0.00 O ATOM 1907 CB SER B 666 -10.825 2.395 13.076 1.00 0.00 C ATOM 1908 OG SER B 666 -10.261 2.485 14.373 1.00 0.00 O ATOM 0 H SER B 666 -11.479 2.943 10.546 1.00 0.00 H new ATOM 0 HA SER B 666 -9.922 4.301 12.667 1.00 0.00 H new ATOM 0 HB2 SER B 666 -11.897 2.588 13.128 1.00 0.00 H new ATOM 0 HB3 SER B 666 -10.702 1.382 12.692 1.00 0.00 H new ATOM 0 HG SER B 666 -10.699 1.839 14.966 1.00 0.00 H new ATOM 1914 N GLU B 667 -8.141 3.622 10.810 1.00 0.00 N ATOM 1915 CA GLU B 667 -6.883 3.186 10.210 1.00 0.00 C ATOM 1916 C GLU B 667 -5.692 3.536 11.090 1.00 0.00 C ATOM 1917 O GLU B 667 -4.551 3.576 10.630 1.00 0.00 O ATOM 1918 CB GLU B 667 -6.709 3.790 8.815 1.00 0.00 C ATOM 1919 CG GLU B 667 -7.028 5.274 8.749 1.00 0.00 C ATOM 1920 CD GLU B 667 -6.147 6.016 7.764 1.00 0.00 C ATOM 1921 OE1 GLU B 667 -4.932 6.137 8.029 1.00 0.00 O ATOM 1922 OE2 GLU B 667 -6.671 6.478 6.728 1.00 0.00 O ATOM 0 H GLU B 667 -8.393 4.589 10.606 1.00 0.00 H new ATOM 0 HA GLU B 667 -6.924 2.101 10.119 1.00 0.00 H new ATOM 0 HB2 GLU B 667 -5.682 3.633 8.486 1.00 0.00 H new ATOM 0 HB3 GLU B 667 -7.353 3.257 8.115 1.00 0.00 H new ATOM 0 HG2 GLU B 667 -8.073 5.405 8.467 1.00 0.00 H new ATOM 0 HG3 GLU B 667 -6.908 5.712 9.740 1.00 0.00 H new ATOM 1929 N GLU B 668 -5.973 3.786 12.355 1.00 0.00 N ATOM 1930 CA GLU B 668 -4.935 4.133 13.320 1.00 0.00 C ATOM 1931 C GLU B 668 -4.314 2.883 13.945 1.00 0.00 C ATOM 1932 O GLU B 668 -3.486 2.981 14.851 1.00 0.00 O ATOM 1933 CB GLU B 668 -5.513 5.030 14.417 1.00 0.00 C ATOM 1934 CG GLU B 668 -6.799 4.494 15.025 1.00 0.00 C ATOM 1935 CD GLU B 668 -7.187 5.217 16.299 1.00 0.00 C ATOM 1936 OE1 GLU B 668 -6.282 5.742 16.983 1.00 0.00 O ATOM 1937 OE2 GLU B 668 -8.394 5.260 16.615 1.00 0.00 O ATOM 0 H GLU B 668 -6.915 3.756 12.744 1.00 0.00 H new ATOM 0 HA GLU B 668 -4.151 4.671 12.787 1.00 0.00 H new ATOM 0 HB2 GLU B 668 -4.770 5.150 15.206 1.00 0.00 H new ATOM 0 HB3 GLU B 668 -5.702 6.021 14.003 1.00 0.00 H new ATOM 0 HG2 GLU B 668 -7.606 4.587 14.299 1.00 0.00 H new ATOM 0 HG3 GLU B 668 -6.681 3.431 15.236 1.00 0.00 H new ATOM 1944 N LEU B 669 -4.713 1.710 13.457 1.00 0.00 N ATOM 1945 CA LEU B 669 -4.189 0.451 13.973 1.00 0.00 C ATOM 1946 C LEU B 669 -3.496 -0.350 12.873 1.00 0.00 C ATOM 1947 O LEU B 669 -3.315 -1.561 12.996 1.00 0.00 O ATOM 1948 CB LEU B 669 -5.317 -0.380 14.588 1.00 0.00 C ATOM 1949 CG LEU B 669 -6.638 -0.350 13.818 1.00 0.00 C ATOM 1950 CD1 LEU B 669 -6.425 -0.779 12.374 1.00 0.00 C ATOM 1951 CD2 LEU B 669 -7.669 -1.242 14.493 1.00 0.00 C ATOM 0 H LEU B 669 -5.396 1.607 12.707 1.00 0.00 H new ATOM 0 HA LEU B 669 -3.453 0.685 14.743 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -4.984 -1.415 14.667 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -5.497 -0.025 15.603 1.00 0.00 H new ATOM 0 HG LEU B 669 -7.014 0.673 13.820 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -7.376 -0.751 11.842 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -5.720 -0.101 11.893 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -6.026 -1.793 12.351 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -8.603 -1.208 13.931 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -7.300 -2.267 14.522 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -7.844 -0.890 15.510 1.00 0.00 H new ATOM 1963 N PHE B 670 -3.111 0.331 11.797 1.00 0.00 N ATOM 1964 CA PHE B 670 -2.439 -0.323 10.680 1.00 0.00 C ATOM 1965 C PHE B 670 -1.096 -0.901 11.115 1.00 0.00 C ATOM 1966 O PHE B 670 -0.232 -0.182 11.617 1.00 0.00 O ATOM 1967 CB PHE B 670 -2.234 0.667 9.531 1.00 0.00 C ATOM 1968 CG PHE B 670 -3.341 0.645 8.515 1.00 0.00 C ATOM 1969 CD1 PHE B 670 -4.618 1.062 8.853 1.00 0.00 C ATOM 1970 CD2 PHE B 670 -3.104 0.206 7.222 1.00 0.00 C ATOM 1971 CE1 PHE B 670 -5.637 1.043 7.922 1.00 0.00 C ATOM 1972 CE2 PHE B 670 -4.119 0.184 6.286 1.00 0.00 C ATOM 1973 CZ PHE B 670 -5.388 0.604 6.636 1.00 0.00 C ATOM 0 H PHE B 670 -3.253 1.334 11.676 1.00 0.00 H new ATOM 0 HA PHE B 670 -3.072 -1.142 10.337 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -2.148 1.673 9.940 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -1.290 0.443 9.033 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -4.819 1.406 9.857 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -2.114 -0.123 6.943 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.628 1.371 8.199 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.921 -0.161 5.282 1.00 0.00 H new ATOM 0 HZ PHE B 670 -6.184 0.589 5.906 1.00 0.00 H new ATOM 1983 N GLU B 671 -0.928 -2.204 10.918 1.00 0.00 N ATOM 1984 CA GLU B 671 0.310 -2.880 11.289 1.00 0.00 C ATOM 1985 C GLU B 671 1.201 -3.090 10.068 1.00 0.00 C ATOM 1986 O GLU B 671 0.711 -3.323 8.963 1.00 0.00 O ATOM 1987 CB GLU B 671 0.004 -4.225 11.951 1.00 0.00 C ATOM 1988 CG GLU B 671 -0.021 -4.163 13.470 1.00 0.00 C ATOM 1989 CD GLU B 671 0.589 -5.393 14.113 1.00 0.00 C ATOM 1990 OE1 GLU B 671 0.622 -6.453 13.454 1.00 0.00 O ATOM 1991 OE2 GLU B 671 1.034 -5.295 15.277 1.00 0.00 O ATOM 0 H GLU B 671 -1.633 -2.813 10.504 1.00 0.00 H new ATOM 0 HA GLU B 671 0.842 -2.247 12.000 1.00 0.00 H new ATOM 0 HB2 GLU B 671 -0.961 -4.585 11.594 1.00 0.00 H new ATOM 0 HB3 GLU B 671 0.752 -4.953 11.637 1.00 0.00 H new ATOM 0 HG2 GLU B 671 0.520 -3.277 13.803 1.00 0.00 H new ATOM 0 HG3 GLU B 671 -1.051 -4.053 13.809 1.00 0.00 H new ATOM 1998 N ASP B 672 2.511 -3.004 10.277 1.00 0.00 N ATOM 1999 CA ASP B 672 3.470 -3.183 9.193 1.00 0.00 C ATOM 2000 C ASP B 672 3.769 -4.660 8.965 1.00 0.00 C ATOM 2001 O ASP B 672 4.329 -5.332 9.832 1.00 0.00 O ATOM 2002 CB ASP B 672 4.764 -2.430 9.501 1.00 0.00 C ATOM 2003 CG ASP B 672 5.718 -2.411 8.322 1.00 0.00 C ATOM 2004 OD1 ASP B 672 5.240 -2.299 7.173 1.00 0.00 O ATOM 2005 OD2 ASP B 672 6.943 -2.509 8.547 1.00 0.00 O ATOM 0 H ASP B 672 2.932 -2.812 11.186 1.00 0.00 H new ATOM 0 HA ASP B 672 3.029 -2.778 8.282 1.00 0.00 H new ATOM 0 HB2 ASP B 672 4.525 -1.406 9.788 1.00 0.00 H new ATOM 0 HB3 ASP B 672 5.256 -2.894 10.356 1.00 0.00 H new ATOM 2010 N VAL B 673 3.395 -5.160 7.792 1.00 0.00 N ATOM 2011 CA VAL B 673 3.625 -6.558 7.446 1.00 0.00 C ATOM 2012 C VAL B 673 5.117 -6.885 7.463 1.00 0.00 C ATOM 2013 O VAL B 673 5.933 -6.112 6.959 1.00 0.00 O ATOM 2014 CB VAL B 673 3.053 -6.891 6.056 1.00 0.00 C ATOM 2015 CG1 VAL B 673 3.152 -8.384 5.778 1.00 0.00 C ATOM 2016 CG2 VAL B 673 1.613 -6.416 5.942 1.00 0.00 C ATOM 0 H VAL B 673 2.931 -4.617 7.064 1.00 0.00 H new ATOM 0 HA VAL B 673 3.113 -7.162 8.195 1.00 0.00 H new ATOM 0 HB VAL B 673 3.646 -6.366 5.307 1.00 0.00 H new ATOM 0 HG11 VAL B 673 2.742 -8.598 4.791 1.00 0.00 H new ATOM 0 HG12 VAL B 673 4.197 -8.692 5.812 1.00 0.00 H new ATOM 0 HG13 VAL B 673 2.587 -8.933 6.532 1.00 0.00 H new ATOM 0 HG21 VAL B 673 1.226 -6.660 4.953 1.00 0.00 H new ATOM 0 HG22 VAL B 673 1.006 -6.910 6.701 1.00 0.00 H new ATOM 0 HG23 VAL B 673 1.573 -5.337 6.091 1.00 0.00 H new ATOM 2026 N PRO B 674 5.499 -8.039 8.041 1.00 0.00 N ATOM 2027 CA PRO B 674 6.904 -8.455 8.114 1.00 0.00 C ATOM 2028 C PRO B 674 7.497 -8.733 6.737 1.00 0.00 C ATOM 2029 O PRO B 674 6.931 -9.488 5.946 1.00 0.00 O ATOM 2030 CB PRO B 674 6.860 -9.740 8.946 1.00 0.00 C ATOM 2031 CG PRO B 674 5.467 -10.244 8.798 1.00 0.00 C ATOM 2032 CD PRO B 674 4.599 -9.025 8.666 1.00 0.00 C ATOM 0 HA PRO B 674 7.534 -7.677 8.546 1.00 0.00 H new ATOM 0 HB2 PRO B 674 7.585 -10.470 8.585 1.00 0.00 H new ATOM 0 HB3 PRO B 674 7.100 -9.543 9.991 1.00 0.00 H new ATOM 0 HG2 PRO B 674 5.375 -10.886 7.922 1.00 0.00 H new ATOM 0 HG3 PRO B 674 5.174 -10.840 9.662 1.00 0.00 H new ATOM 0 HD2 PRO B 674 3.723 -9.219 8.048 1.00 0.00 H new ATOM 0 HD3 PRO B 674 4.236 -8.682 9.635 1.00 0.00 H new ATOM 2040 N THR B 675 8.641 -8.117 6.456 1.00 0.00 N ATOM 2041 CA THR B 675 9.314 -8.296 5.174 1.00 0.00 C ATOM 2042 C THR B 675 10.730 -8.827 5.373 1.00 0.00 C ATOM 2043 O THR B 675 11.303 -8.702 6.455 1.00 0.00 O ATOM 2044 CB THR B 675 9.356 -6.973 4.407 1.00 0.00 C ATOM 2045 OG1 THR B 675 9.357 -5.875 5.302 1.00 0.00 O ATOM 2046 CG2 THR B 675 8.190 -6.791 3.459 1.00 0.00 C ATOM 0 H THR B 675 9.122 -7.489 7.100 1.00 0.00 H new ATOM 0 HA THR B 675 8.749 -9.026 4.594 1.00 0.00 H new ATOM 0 HB THR B 675 10.275 -7.008 3.822 1.00 0.00 H new ATOM 0 HG1 THR B 675 9.386 -5.038 4.793 1.00 0.00 H new ATOM 0 HG21 THR B 675 8.283 -5.833 2.948 1.00 0.00 H new ATOM 0 HG22 THR B 675 8.190 -7.596 2.724 1.00 0.00 H new ATOM 0 HG23 THR B 675 7.257 -6.814 4.022 1.00 0.00 H new ATOM 2054 N LYS B 676 11.288 -9.420 4.322 1.00 0.00 N ATOM 2055 CA LYS B 676 12.637 -9.970 4.383 1.00 0.00 C ATOM 2056 C LYS B 676 13.681 -8.872 4.198 1.00 0.00 C ATOM 2057 O LYS B 676 13.370 -7.781 3.723 1.00 0.00 O ATOM 2058 CB LYS B 676 12.820 -11.048 3.314 1.00 0.00 C ATOM 2059 CG LYS B 676 14.101 -11.851 3.472 1.00 0.00 C ATOM 2060 CD LYS B 676 13.927 -13.279 2.983 1.00 0.00 C ATOM 2061 CE LYS B 676 15.231 -14.057 3.060 1.00 0.00 C ATOM 2062 NZ LYS B 676 15.000 -15.527 3.107 1.00 0.00 N ATOM 0 H LYS B 676 10.827 -9.532 3.419 1.00 0.00 H new ATOM 0 HA LYS B 676 12.776 -10.417 5.367 1.00 0.00 H new ATOM 0 HB2 LYS B 676 11.969 -11.728 3.346 1.00 0.00 H new ATOM 0 HB3 LYS B 676 12.815 -10.577 2.331 1.00 0.00 H new ATOM 0 HG2 LYS B 676 14.904 -11.370 2.914 1.00 0.00 H new ATOM 0 HG3 LYS B 676 14.400 -11.858 4.520 1.00 0.00 H new ATOM 0 HD2 LYS B 676 13.167 -13.780 3.583 1.00 0.00 H new ATOM 0 HD3 LYS B 676 13.567 -13.271 1.954 1.00 0.00 H new ATOM 0 HE2 LYS B 676 15.850 -13.814 2.196 1.00 0.00 H new ATOM 0 HE3 LYS B 676 15.786 -13.748 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 15.914 -16.021 3.159 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 14.431 -15.762 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 14.493 -15.826 2.250 1.00 0.00 H new ATOM 2076 N SER B 677 14.918 -9.169 4.579 1.00 0.00 N ATOM 2077 CA SER B 677 16.008 -8.208 4.455 1.00 0.00 C ATOM 2078 C SER B 677 17.333 -8.828 4.886 1.00 0.00 C ATOM 2079 O SER B 677 17.423 -10.036 5.106 1.00 0.00 O ATOM 2080 CB SER B 677 15.717 -6.964 5.297 1.00 0.00 C ATOM 2081 OG SER B 677 16.365 -5.823 4.762 1.00 0.00 O ATOM 0 H SER B 677 15.191 -10.068 4.976 1.00 0.00 H new ATOM 0 HA SER B 677 16.087 -7.920 3.407 1.00 0.00 H new ATOM 0 HB2 SER B 677 14.642 -6.791 5.336 1.00 0.00 H new ATOM 0 HB3 SER B 677 16.050 -7.128 6.322 1.00 0.00 H new ATOM 0 HG SER B 677 16.162 -5.041 5.317 1.00 0.00 H new ATOM 2087 N GLN B 678 18.361 -7.993 5.005 1.00 0.00 N ATOM 2088 CA GLN B 678 19.681 -8.460 5.409 1.00 0.00 C ATOM 2089 C GLN B 678 19.770 -8.595 6.926 1.00 0.00 C ATOM 2090 O GLN B 678 18.771 -8.451 7.631 1.00 0.00 O ATOM 2091 CB GLN B 678 20.760 -7.499 4.907 1.00 0.00 C ATOM 2092 CG GLN B 678 22.034 -8.196 4.455 1.00 0.00 C ATOM 2093 CD GLN B 678 22.161 -8.253 2.945 1.00 0.00 C ATOM 2094 OE1 GLN B 678 21.420 -8.972 2.274 1.00 0.00 O ATOM 2095 NE2 GLN B 678 23.106 -7.495 2.402 1.00 0.00 N ATOM 0 H GLN B 678 18.304 -6.990 4.827 1.00 0.00 H new ATOM 0 HA GLN B 678 19.843 -9.442 4.965 1.00 0.00 H new ATOM 0 HB2 GLN B 678 20.359 -6.918 4.076 1.00 0.00 H new ATOM 0 HB3 GLN B 678 21.004 -6.793 5.701 1.00 0.00 H new ATOM 0 HG2 GLN B 678 22.896 -7.674 4.869 1.00 0.00 H new ATOM 0 HG3 GLN B 678 22.052 -9.209 4.856 1.00 0.00 H new ATOM 0 HE21 GLN B 678 23.698 -6.914 2.996 1.00 0.00 H new ATOM 0 HE22 GLN B 678 23.240 -7.493 1.391 1.00 0.00 H new ATOM 2104 N ILE B 679 20.971 -8.874 7.421 1.00 0.00 N ATOM 2105 CA ILE B 679 21.190 -9.029 8.854 1.00 0.00 C ATOM 2106 C ILE B 679 22.091 -7.923 9.395 1.00 0.00 C ATOM 2107 O ILE B 679 22.852 -8.134 10.340 1.00 0.00 O ATOM 2108 CB ILE B 679 21.821 -10.397 9.183 1.00 0.00 C ATOM 2109 CG1 ILE B 679 21.080 -11.515 8.448 1.00 0.00 C ATOM 2110 CG2 ILE B 679 21.805 -10.640 10.685 1.00 0.00 C ATOM 2111 CD1 ILE B 679 21.596 -11.764 7.048 1.00 0.00 C ATOM 0 H ILE B 679 21.808 -8.997 6.851 1.00 0.00 H new ATOM 0 HA ILE B 679 20.212 -8.965 9.332 1.00 0.00 H new ATOM 0 HB ILE B 679 22.858 -10.393 8.847 1.00 0.00 H new ATOM 0 HG12 ILE B 679 21.163 -12.436 9.026 1.00 0.00 H new ATOM 0 HG13 ILE B 679 20.020 -11.265 8.397 1.00 0.00 H new ATOM 0 HG21 ILE B 679 22.254 -11.610 10.902 1.00 0.00 H new ATOM 0 HG22 ILE B 679 22.374 -9.857 11.186 1.00 0.00 H new ATOM 0 HG23 ILE B 679 20.776 -10.628 11.045 1.00 0.00 H new ATOM 0 HD11 ILE B 679 21.024 -12.570 6.587 1.00 0.00 H new ATOM 0 HD12 ILE B 679 21.488 -10.857 6.454 1.00 0.00 H new ATOM 0 HD13 ILE B 679 22.648 -12.046 7.093 1.00 0.00 H new ATOM 2123 N SER B 680 21.999 -6.744 8.789 1.00 0.00 N ATOM 2124 CA SER B 680 22.806 -5.604 9.209 1.00 0.00 C ATOM 2125 C SER B 680 22.112 -4.291 8.865 1.00 0.00 C ATOM 2126 O SER B 680 22.078 -3.394 9.735 1.00 0.00 O ATOM 2127 CB SER B 680 24.184 -5.655 8.547 1.00 0.00 C ATOM 2128 OG SER B 680 24.706 -6.972 8.556 1.00 0.00 O ATOM 0 H SER B 680 21.374 -6.553 8.006 1.00 0.00 H new ATOM 0 HA SER B 680 22.929 -5.657 10.291 1.00 0.00 H new ATOM 0 HB2 SER B 680 24.111 -5.296 7.520 1.00 0.00 H new ATOM 0 HB3 SER B 680 24.867 -4.986 9.070 1.00 0.00 H new ATOM 0 HG SER B 680 25.587 -6.978 8.126 1.00 0.00 H new TER 2134 SER B 680