USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 853 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 53 MET CE :methyl 154:sc= -0.193 (180deg=-1.67!) USER MOD Set 1.2: A 57 MET CE :methyl -127:sc= -2 (180deg=-4!) USER MOD Set 2.1: A 25 MET CE :methyl -133:sc= -1.43 (180deg=-2.6) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.861 K(o=-2.3,f=-1.7) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -171:sc= -0.0177 (180deg=0) USER MOD Set 3.2: A 23 LYS NZ :NH3+ -144:sc= -0.552 (180deg=-2.94!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.02 (180deg=-2.32!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0289 K(o=-0.029,f=-2!) USER MOD Single : A 7 MET CE :methyl -122:sc= -0.181 (180deg=-7.94!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.528 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -6.13! C(o=-6.1!,f=-5.7!) USER MOD Single : A 18 ASN : amide:sc= -5.47! K(o=-5.5!,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -100:sc= -0.481 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.915! K(o=-0.92!,f=-1.6) USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0188 (180deg=-0.285) USER MOD Single : A 41 SER OG : rot -150:sc= -0.096 USER MOD Single : A 43 CYS SG : rot -140:sc= -4.62! USER MOD Single : A 45 SER OG : rot 43:sc= 0.497 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 47 LYS NZ :NH3+ -126:sc= 0.244 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= -0.197 (180deg=-1.34!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= -0.0595 (180deg=-0.539) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.17) USER MOD Single : A 69 CYS SG : rot -146:sc= -0.112! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 163:sc= -5.76! (180deg=-6.64!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.47! C(o=-1.5!,f=-3.8!) USER MOD Single : A 88 SER OG : rot -25:sc= 0.415 USER MOD Single : A 90 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-6.2!) USER MOD Single : A 91 SER OG : rot -109:sc= 0.858 USER MOD Single : A 93 SER OG : rot -147:sc= 1.69 USER MOD Single : A 94 SER OG : rot 180:sc= 0.00057 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -1.25 K(o=-1.3,f=0.094) USER MOD Single : A 102 HIS : no HE2:sc= -1.02 K(o=-1,f=-3.3) USER MOD Single : A 103 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.7!) USER MOD Single : A 104 HIS : no HD1:sc=-0.00545 X(o=-0.0054,f=-0.28) USER MOD Single : A 105 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.43) USER MOD Single : A 106 HIS : no HD1:sc= -0.914 K(o=-0.91,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.805 11.658 -3.977 1.00 1.00 N ATOM 2 CA MET A 1 12.255 11.333 -3.854 1.00 1.00 C ATOM 3 C MET A 1 12.633 11.198 -2.387 1.00 1.00 C ATOM 4 O MET A 1 13.632 11.773 -1.944 1.00 1.00 O ATOM 5 CB MET A 1 13.083 12.441 -4.508 1.00 1.00 C ATOM 6 CG MET A 1 12.899 12.382 -6.026 1.00 1.00 C ATOM 7 SD MET A 1 13.900 13.672 -6.810 1.00 1.00 S ATOM 8 CE MET A 1 13.271 13.478 -8.498 1.00 1.00 C ATOM 0 H1 MET A 1 10.290 10.823 -4.323 1.00 1.00 H new ATOM 0 H2 MET A 1 10.431 11.934 -3.047 1.00 1.00 H new ATOM 0 H3 MET A 1 10.681 12.444 -4.647 1.00 1.00 H new ATOM 0 HA MET A 1 12.457 10.388 -4.358 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.771 13.415 -4.130 1.00 1.00 H new ATOM 0 HB3 MET A 1 14.136 12.322 -4.253 1.00 1.00 H new ATOM 0 HG2 MET A 1 13.193 11.401 -6.400 1.00 1.00 H new ATOM 0 HG3 MET A 1 11.848 12.518 -6.281 1.00 1.00 H new ATOM 0 HE1 MET A 1 13.766 14.193 -9.155 1.00 1.00 H new ATOM 0 HE2 MET A 1 13.471 12.465 -8.847 1.00 1.00 H new ATOM 0 HE3 MET A 1 12.196 13.660 -8.509 1.00 1.00 H new ATOM 20 N LYS A 2 11.853 10.427 -1.636 1.00 1.00 N ATOM 21 CA LYS A 2 12.149 10.227 -0.223 1.00 1.00 C ATOM 22 C LYS A 2 11.264 9.150 0.422 1.00 1.00 C ATOM 23 O LYS A 2 11.745 8.395 1.263 1.00 1.00 O ATOM 24 CB LYS A 2 11.998 11.547 0.554 1.00 1.00 C ATOM 25 CG LYS A 2 12.774 11.468 1.888 1.00 1.00 C ATOM 26 CD LYS A 2 14.213 11.960 1.691 1.00 1.00 C ATOM 27 CE LYS A 2 15.023 11.750 2.978 1.00 1.00 C ATOM 28 NZ LYS A 2 16.175 12.694 2.991 1.00 1.00 N ATOM 0 H LYS A 2 11.025 9.938 -1.975 1.00 1.00 H new ATOM 0 HA LYS A 2 13.181 9.881 -0.170 1.00 1.00 H new ATOM 0 HB2 LYS A 2 12.373 12.376 -0.046 1.00 1.00 H new ATOM 0 HB3 LYS A 2 10.944 11.745 0.748 1.00 1.00 H new ATOM 0 HG2 LYS A 2 12.275 12.074 2.644 1.00 1.00 H new ATOM 0 HG3 LYS A 2 12.779 10.441 2.254 1.00 1.00 H new ATOM 0 HD2 LYS A 2 14.680 11.422 0.866 1.00 1.00 H new ATOM 0 HD3 LYS A 2 14.211 13.016 1.422 1.00 1.00 H new ATOM 0 HE2 LYS A 2 14.391 11.916 3.851 1.00 1.00 H new ATOM 0 HE3 LYS A 2 15.380 10.721 3.034 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 16.727 12.556 3.861 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 16.780 12.514 2.165 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 15.823 13.672 2.956 1.00 1.00 H new ATOM 42 N PRO A 3 9.987 9.068 0.102 1.00 1.00 N ATOM 43 CA PRO A 3 9.091 8.072 0.741 1.00 1.00 C ATOM 44 C PRO A 3 9.046 6.725 0.014 1.00 1.00 C ATOM 45 O PRO A 3 9.306 5.684 0.612 1.00 1.00 O ATOM 46 CB PRO A 3 7.729 8.773 0.691 1.00 1.00 C ATOM 47 CG PRO A 3 7.761 9.600 -0.565 1.00 1.00 C ATOM 48 CD PRO A 3 9.247 9.881 -0.886 1.00 1.00 C ATOM 0 HA PRO A 3 9.427 7.806 1.743 1.00 1.00 H new ATOM 0 HB2 PRO A 3 6.914 8.050 0.666 1.00 1.00 H new ATOM 0 HB3 PRO A 3 7.574 9.398 1.571 1.00 1.00 H new ATOM 0 HG2 PRO A 3 7.283 9.069 -1.388 1.00 1.00 H new ATOM 0 HG3 PRO A 3 7.214 10.532 -0.426 1.00 1.00 H new ATOM 0 HD2 PRO A 3 9.496 9.592 -1.907 1.00 1.00 H new ATOM 0 HD3 PRO A 3 9.483 10.941 -0.788 1.00 1.00 H new ATOM 56 N LEU A 4 8.683 6.744 -1.267 1.00 1.00 N ATOM 57 CA LEU A 4 8.567 5.505 -2.041 1.00 1.00 C ATOM 58 C LEU A 4 9.795 5.239 -2.912 1.00 1.00 C ATOM 59 O LEU A 4 9.872 4.213 -3.586 1.00 1.00 O ATOM 60 CB LEU A 4 7.324 5.592 -2.923 1.00 1.00 C ATOM 61 CG LEU A 4 6.075 5.778 -2.046 1.00 1.00 C ATOM 62 CD1 LEU A 4 4.828 5.910 -2.935 1.00 1.00 C ATOM 63 CD2 LEU A 4 5.917 4.583 -1.078 1.00 1.00 C ATOM 0 H LEU A 4 8.466 7.593 -1.789 1.00 1.00 H new ATOM 0 HA LEU A 4 8.490 4.677 -1.337 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.418 6.426 -3.619 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.228 4.686 -3.522 1.00 1.00 H new ATOM 0 HG LEU A 4 6.189 6.688 -1.457 1.00 1.00 H new ATOM 0 HD11 LEU A 4 3.946 6.042 -2.308 1.00 1.00 H new ATOM 0 HD12 LEU A 4 4.939 6.773 -3.591 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.714 5.009 -3.537 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.029 4.728 -0.463 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.815 3.661 -1.651 1.00 1.00 H new ATOM 0 HD23 LEU A 4 6.796 4.516 -0.436 1.00 1.00 H new ATOM 75 N SER A 5 10.744 6.154 -2.898 1.00 1.00 N ATOM 76 CA SER A 5 11.953 6.003 -3.701 1.00 1.00 C ATOM 77 C SER A 5 12.804 4.817 -3.257 1.00 1.00 C ATOM 78 O SER A 5 13.469 4.183 -4.076 1.00 1.00 O ATOM 79 CB SER A 5 12.783 7.279 -3.635 1.00 1.00 C ATOM 80 OG SER A 5 13.937 7.135 -4.453 1.00 1.00 O ATOM 0 H SER A 5 10.707 7.009 -2.343 1.00 1.00 H new ATOM 0 HA SER A 5 11.635 5.813 -4.726 1.00 1.00 H new ATOM 0 HB2 SER A 5 12.190 8.130 -3.971 1.00 1.00 H new ATOM 0 HB3 SER A 5 13.077 7.482 -2.605 1.00 1.00 H new ATOM 0 HG SER A 5 14.471 7.956 -4.413 1.00 1.00 H new ATOM 86 N ASN A 6 12.831 4.542 -1.962 1.00 1.00 N ATOM 87 CA ASN A 6 13.664 3.457 -1.433 1.00 1.00 C ATOM 88 C ASN A 6 12.873 2.179 -1.193 1.00 1.00 C ATOM 89 O ASN A 6 13.358 1.268 -0.522 1.00 1.00 O ATOM 90 CB ASN A 6 14.307 3.910 -0.120 1.00 1.00 C ATOM 91 CG ASN A 6 15.353 4.982 -0.399 1.00 1.00 C ATOM 92 OD1 ASN A 6 15.815 5.114 -1.532 1.00 1.00 O ATOM 93 ND2 ASN A 6 15.758 5.760 0.564 1.00 1.00 N ATOM 0 H ASN A 6 12.293 5.047 -1.258 1.00 1.00 H new ATOM 0 HA ASN A 6 14.426 3.233 -2.180 1.00 1.00 H new ATOM 0 HB2 ASN A 6 13.544 4.300 0.553 1.00 1.00 H new ATOM 0 HB3 ASN A 6 14.769 3.060 0.381 1.00 1.00 H new ATOM 0 HD21 ASN A 6 16.458 6.479 0.379 1.00 1.00 H new ATOM 0 HD22 ASN A 6 15.375 5.651 1.503 1.00 1.00 H new ATOM 100 N MET A 7 11.656 2.102 -1.724 1.00 1.00 N ATOM 101 CA MET A 7 10.835 0.905 -1.521 1.00 1.00 C ATOM 102 C MET A 7 9.916 0.634 -2.712 1.00 1.00 C ATOM 103 O MET A 7 9.620 1.533 -3.499 1.00 1.00 O ATOM 104 CB MET A 7 9.999 1.086 -0.263 1.00 1.00 C ATOM 105 CG MET A 7 9.246 2.409 -0.349 1.00 1.00 C ATOM 106 SD MET A 7 8.276 2.669 1.158 1.00 1.00 S ATOM 107 CE MET A 7 6.944 1.488 0.824 1.00 1.00 C ATOM 0 H MET A 7 11.221 2.834 -2.286 1.00 1.00 H new ATOM 0 HA MET A 7 11.502 0.049 -1.419 1.00 1.00 H new ATOM 0 HB2 MET A 7 9.296 0.260 -0.157 1.00 1.00 H new ATOM 0 HB3 MET A 7 10.640 1.075 0.619 1.00 1.00 H new ATOM 0 HG2 MET A 7 9.951 3.230 -0.484 1.00 1.00 H new ATOM 0 HG3 MET A 7 8.589 2.407 -1.219 1.00 1.00 H new ATOM 0 HE1 MET A 7 5.986 2.009 0.829 1.00 1.00 H new ATOM 0 HE2 MET A 7 7.102 1.028 -0.151 1.00 1.00 H new ATOM 0 HE3 MET A 7 6.941 0.716 1.593 1.00 1.00 H new ATOM 117 N LYS A 8 9.471 -0.623 -2.830 1.00 1.00 N ATOM 118 CA LYS A 8 8.578 -1.040 -3.921 1.00 1.00 C ATOM 119 C LYS A 8 7.145 -1.201 -3.400 1.00 1.00 C ATOM 120 O LYS A 8 6.926 -1.431 -2.211 1.00 1.00 O ATOM 121 CB LYS A 8 9.075 -2.373 -4.529 1.00 1.00 C ATOM 122 CG LYS A 8 10.095 -2.111 -5.650 1.00 1.00 C ATOM 123 CD LYS A 8 11.408 -1.626 -5.038 1.00 1.00 C ATOM 124 CE LYS A 8 12.437 -1.392 -6.145 1.00 1.00 C ATOM 125 NZ LYS A 8 13.716 -0.920 -5.544 1.00 1.00 N ATOM 0 H LYS A 8 9.715 -1.372 -2.182 1.00 1.00 H new ATOM 0 HA LYS A 8 8.585 -0.273 -4.695 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.531 -2.986 -3.751 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.229 -2.936 -4.924 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.263 -3.022 -6.224 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.707 -1.365 -6.343 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.242 -0.704 -4.481 1.00 1.00 H new ATOM 0 HD3 LYS A 8 11.784 -2.363 -4.329 1.00 1.00 H new ATOM 0 HE2 LYS A 8 12.603 -2.314 -6.702 1.00 1.00 H new ATOM 0 HE3 LYS A 8 12.062 -0.654 -6.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 14.416 -0.761 -6.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 13.551 -0.030 -5.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 14.075 -1.639 -4.884 1.00 1.00 H new ATOM 139 N ILE A 9 6.177 -1.030 -4.300 1.00 1.00 N ATOM 140 CA ILE A 9 4.748 -1.110 -3.942 1.00 1.00 C ATOM 141 C ILE A 9 4.023 -2.193 -4.743 1.00 1.00 C ATOM 142 O ILE A 9 4.221 -2.323 -5.951 1.00 1.00 O ATOM 143 CB ILE A 9 4.101 0.234 -4.243 1.00 1.00 C ATOM 144 CG1 ILE A 9 4.771 1.342 -3.406 1.00 1.00 C ATOM 145 CG2 ILE A 9 2.597 0.179 -3.954 1.00 1.00 C ATOM 146 CD1 ILE A 9 4.609 1.083 -1.899 1.00 1.00 C ATOM 0 H ILE A 9 6.350 -0.835 -5.286 1.00 1.00 H new ATOM 0 HA ILE A 9 4.672 -1.362 -2.884 1.00 1.00 H new ATOM 0 HB ILE A 9 4.239 0.462 -5.300 1.00 1.00 H new ATOM 0 HG12 ILE A 9 5.831 1.398 -3.655 1.00 1.00 H new ATOM 0 HG13 ILE A 9 4.333 2.307 -3.660 1.00 1.00 H new ATOM 0 HG21 ILE A 9 2.149 1.148 -4.174 1.00 1.00 H new ATOM 0 HG22 ILE A 9 2.134 -0.585 -4.578 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.437 -0.065 -2.904 1.00 1.00 H new ATOM 0 HD11 ILE A 9 5.093 1.883 -1.338 1.00 1.00 H new ATOM 0 HD12 ILE A 9 3.549 1.053 -1.647 1.00 1.00 H new ATOM 0 HD13 ILE A 9 5.070 0.129 -1.642 1.00 1.00 H new ATOM 158 N LEU A 10 3.165 -2.959 -4.061 1.00 1.00 N ATOM 159 CA LEU A 10 2.387 -4.025 -4.714 1.00 1.00 C ATOM 160 C LEU A 10 0.919 -3.629 -4.762 1.00 1.00 C ATOM 161 O LEU A 10 0.361 -3.168 -3.767 1.00 1.00 O ATOM 162 CB LEU A 10 2.526 -5.339 -3.941 1.00 1.00 C ATOM 163 CG LEU A 10 1.953 -6.533 -4.762 1.00 1.00 C ATOM 164 CD1 LEU A 10 2.826 -7.769 -4.548 1.00 1.00 C ATOM 165 CD2 LEU A 10 0.525 -6.866 -4.302 1.00 1.00 C ATOM 0 H LEU A 10 2.990 -2.864 -3.061 1.00 1.00 H new ATOM 0 HA LEU A 10 2.769 -4.164 -5.726 1.00 1.00 H new ATOM 0 HB2 LEU A 10 3.576 -5.521 -3.712 1.00 1.00 H new ATOM 0 HB3 LEU A 10 2.001 -5.262 -2.989 1.00 1.00 H new ATOM 0 HG LEU A 10 1.942 -6.251 -5.815 1.00 1.00 H new ATOM 0 HD11 LEU A 10 2.423 -8.603 -5.123 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.843 -7.558 -4.878 1.00 1.00 H new ATOM 0 HD13 LEU A 10 2.835 -8.029 -3.490 1.00 1.00 H new ATOM 0 HD21 LEU A 10 0.140 -7.702 -4.886 1.00 1.00 H new ATOM 0 HD22 LEU A 10 0.537 -7.136 -3.246 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.116 -5.997 -4.447 1.00 1.00 H new ATOM 177 N THR A 11 0.294 -3.795 -5.926 1.00 1.00 N ATOM 178 CA THR A 11 -1.122 -3.437 -6.091 1.00 1.00 C ATOM 179 C THR A 11 -1.956 -4.657 -6.454 1.00 1.00 C ATOM 180 O THR A 11 -1.664 -5.349 -7.430 1.00 1.00 O ATOM 181 CB THR A 11 -1.261 -2.389 -7.194 1.00 1.00 C ATOM 182 OG1 THR A 11 -0.805 -2.930 -8.427 1.00 1.00 O ATOM 183 CG2 THR A 11 -0.429 -1.154 -6.838 1.00 1.00 C ATOM 0 H THR A 11 0.737 -4.171 -6.764 1.00 1.00 H new ATOM 0 HA THR A 11 -1.484 -3.036 -5.144 1.00 1.00 H new ATOM 0 HB THR A 11 -2.309 -2.104 -7.290 1.00 1.00 H new ATOM 0 HG1 THR A 11 -0.964 -3.897 -8.439 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.530 -0.408 -7.626 1.00 1.00 H new ATOM 0 HG22 THR A 11 -0.783 -0.736 -5.895 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.619 -1.437 -6.738 1.00 1.00 H new ATOM 191 N LEU A 12 -3.009 -4.916 -5.681 1.00 1.00 N ATOM 192 CA LEU A 12 -3.877 -6.060 -5.973 1.00 1.00 C ATOM 193 C LEU A 12 -4.525 -5.872 -7.349 1.00 1.00 C ATOM 194 O LEU A 12 -4.610 -6.810 -8.142 1.00 1.00 O ATOM 195 CB LEU A 12 -4.985 -6.201 -4.909 1.00 1.00 C ATOM 196 CG LEU A 12 -4.463 -6.952 -3.673 1.00 1.00 C ATOM 197 CD1 LEU A 12 -3.503 -6.059 -2.880 1.00 1.00 C ATOM 198 CD2 LEU A 12 -5.649 -7.352 -2.784 1.00 1.00 C ATOM 0 H LEU A 12 -3.280 -4.365 -4.866 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.267 -6.963 -5.963 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -5.342 -5.214 -4.616 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -5.836 -6.735 -5.332 1.00 1.00 H new ATOM 0 HG LEU A 12 -3.928 -7.845 -3.996 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -3.139 -6.601 -2.007 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -2.659 -5.781 -3.512 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -4.026 -5.159 -2.557 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -5.283 -7.885 -1.907 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -6.185 -6.457 -2.468 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -6.323 -7.999 -3.346 1.00 1.00 H new ATOM 210 N GLY A 13 -4.965 -4.649 -7.629 1.00 1.00 N ATOM 211 CA GLY A 13 -5.588 -4.345 -8.915 1.00 1.00 C ATOM 212 C GLY A 13 -6.464 -3.099 -8.824 1.00 1.00 C ATOM 213 O GLY A 13 -6.144 -2.062 -9.411 1.00 1.00 O ATOM 0 H GLY A 13 -4.903 -3.857 -6.989 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -4.816 -4.195 -9.670 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.191 -5.193 -9.240 1.00 1.00 H new ATOM 217 N LYS A 14 -7.567 -3.204 -8.089 1.00 1.00 N ATOM 218 CA LYS A 14 -8.473 -2.071 -7.939 1.00 1.00 C ATOM 219 C LYS A 14 -7.760 -0.938 -7.214 1.00 1.00 C ATOM 220 O LYS A 14 -7.133 -1.156 -6.177 1.00 1.00 O ATOM 221 CB LYS A 14 -9.717 -2.487 -7.153 1.00 1.00 C ATOM 222 CG LYS A 14 -10.718 -1.330 -7.116 1.00 1.00 C ATOM 223 CD LYS A 14 -11.966 -1.759 -6.338 1.00 1.00 C ATOM 224 CE LYS A 14 -12.968 -0.606 -6.326 1.00 1.00 C ATOM 225 NZ LYS A 14 -14.177 -0.996 -5.548 1.00 1.00 N ATOM 0 H LYS A 14 -7.852 -4.049 -7.595 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.781 -1.731 -8.928 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.175 -3.361 -7.615 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.439 -2.772 -6.138 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.265 -0.458 -6.645 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.991 -1.039 -8.130 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -12.412 -2.640 -6.799 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -11.697 -2.034 -5.318 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -12.511 0.280 -5.886 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -13.249 -0.346 -7.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -14.856 -0.208 -5.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -14.618 -1.830 -5.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -13.903 -1.223 -4.571 1.00 1.00 H new ATOM 239 N LEU A 15 -7.847 0.267 -7.774 1.00 1.00 N ATOM 240 CA LEU A 15 -7.195 1.437 -7.185 1.00 1.00 C ATOM 241 C LEU A 15 -8.188 2.599 -7.114 1.00 1.00 C ATOM 242 O LEU A 15 -8.888 2.876 -8.088 1.00 1.00 O ATOM 243 CB LEU A 15 -6.000 1.843 -8.051 1.00 1.00 C ATOM 244 CG LEU A 15 -5.161 2.913 -7.341 1.00 1.00 C ATOM 245 CD1 LEU A 15 -4.408 2.305 -6.141 1.00 1.00 C ATOM 246 CD2 LEU A 15 -4.148 3.483 -8.333 1.00 1.00 C ATOM 0 H LEU A 15 -8.361 0.460 -8.633 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.853 1.192 -6.180 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.383 0.970 -8.262 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -6.351 2.225 -9.010 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.822 3.699 -6.976 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.819 3.080 -5.651 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -5.126 1.892 -5.432 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.746 1.512 -6.490 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.545 4.245 -7.840 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.500 2.683 -8.691 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.676 3.928 -9.177 1.00 1.00 H new ATOM 258 N SER A 16 -8.261 3.272 -5.966 1.00 1.00 N ATOM 259 CA SER A 16 -9.194 4.389 -5.815 1.00 1.00 C ATOM 260 C SER A 16 -8.876 5.502 -6.811 1.00 1.00 C ATOM 261 O SER A 16 -9.774 6.036 -7.464 1.00 1.00 O ATOM 262 CB SER A 16 -9.128 4.927 -4.386 1.00 1.00 C ATOM 263 OG SER A 16 -10.263 5.745 -4.134 1.00 1.00 O ATOM 0 H SER A 16 -7.697 3.069 -5.141 1.00 1.00 H new ATOM 0 HA SER A 16 -10.202 4.029 -6.019 1.00 1.00 H new ATOM 0 HB2 SER A 16 -9.097 4.100 -3.676 1.00 1.00 H new ATOM 0 HB3 SER A 16 -8.213 5.503 -4.245 1.00 1.00 H new ATOM 0 HG SER A 16 -10.221 6.089 -3.217 1.00 1.00 H new ATOM 269 N GLN A 17 -7.594 5.831 -6.945 1.00 1.00 N ATOM 270 CA GLN A 17 -7.177 6.864 -7.889 1.00 1.00 C ATOM 271 C GLN A 17 -7.647 6.485 -9.293 1.00 1.00 C ATOM 272 O GLN A 17 -8.188 5.399 -9.496 1.00 1.00 O ATOM 273 CB GLN A 17 -5.643 7.019 -7.844 1.00 1.00 C ATOM 274 CG GLN A 17 -5.225 7.960 -6.679 1.00 1.00 C ATOM 275 CD GLN A 17 -3.976 7.443 -5.974 1.00 1.00 C ATOM 276 OE1 GLN A 17 -2.995 7.082 -6.625 1.00 1.00 O ATOM 277 NE2 GLN A 17 -3.967 7.362 -4.669 1.00 1.00 N ATOM 0 H GLN A 17 -6.833 5.403 -6.418 1.00 1.00 H new ATOM 0 HA GLN A 17 -7.626 7.820 -7.617 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -5.176 6.042 -7.716 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -5.284 7.422 -8.791 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.039 8.962 -7.066 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -6.043 8.042 -5.963 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -4.782 7.662 -4.134 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -3.145 6.999 -4.186 1.00 1.00 H new ATOM 286 N ASN A 18 -7.475 7.392 -10.250 1.00 1.00 N ATOM 287 CA ASN A 18 -7.926 7.134 -11.609 1.00 1.00 C ATOM 288 C ASN A 18 -7.017 6.144 -12.325 1.00 1.00 C ATOM 289 O ASN A 18 -7.370 4.977 -12.488 1.00 1.00 O ATOM 290 CB ASN A 18 -7.982 8.449 -12.389 1.00 1.00 C ATOM 291 CG ASN A 18 -8.917 9.426 -11.682 1.00 1.00 C ATOM 292 OD1 ASN A 18 -10.126 9.207 -11.641 1.00 1.00 O ATOM 293 ND2 ASN A 18 -8.427 10.493 -11.114 1.00 1.00 N ATOM 0 H ASN A 18 -7.032 8.300 -10.111 1.00 1.00 H new ATOM 0 HA ASN A 18 -8.921 6.692 -11.556 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -6.983 8.879 -12.468 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -8.332 8.266 -13.405 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -9.047 11.146 -10.635 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -7.424 10.674 -11.148 1.00 1.00 H new ATOM 300 N LYS A 19 -5.854 6.619 -12.759 1.00 1.00 N ATOM 301 CA LYS A 19 -4.910 5.764 -13.467 1.00 1.00 C ATOM 302 C LYS A 19 -3.632 6.544 -13.780 1.00 1.00 C ATOM 303 O LYS A 19 -2.553 6.218 -13.290 1.00 1.00 O ATOM 304 CB LYS A 19 -5.560 5.262 -14.787 1.00 1.00 C ATOM 305 CG LYS A 19 -5.499 3.728 -14.903 1.00 1.00 C ATOM 306 CD LYS A 19 -4.084 3.295 -15.323 1.00 1.00 C ATOM 307 CE LYS A 19 -3.906 3.426 -16.851 1.00 1.00 C ATOM 308 NZ LYS A 19 -4.069 2.082 -17.475 1.00 1.00 N ATOM 0 H LYS A 19 -5.545 7.583 -12.634 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.656 4.910 -12.840 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -6.599 5.589 -14.829 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -5.050 5.712 -15.638 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -5.761 3.271 -13.949 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -6.228 3.380 -15.634 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -3.343 3.909 -14.811 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -3.908 2.263 -15.018 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -4.640 4.121 -17.257 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -2.921 3.832 -17.082 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -3.802 2.131 -18.479 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -3.458 1.396 -16.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -5.061 1.780 -17.395 1.00 1.00 H new ATOM 322 N ASP A 20 -3.778 7.575 -14.598 1.00 1.00 N ATOM 323 CA ASP A 20 -2.657 8.397 -14.987 1.00 1.00 C ATOM 324 C ASP A 20 -2.069 9.112 -13.771 1.00 1.00 C ATOM 325 O ASP A 20 -0.854 9.264 -13.653 1.00 1.00 O ATOM 326 CB ASP A 20 -3.128 9.443 -15.993 1.00 1.00 C ATOM 327 CG ASP A 20 -3.460 8.796 -17.335 1.00 1.00 C ATOM 328 OD1 ASP A 20 -3.035 7.678 -17.562 1.00 1.00 O ATOM 329 OD2 ASP A 20 -4.138 9.440 -18.120 1.00 1.00 O ATOM 0 H ASP A 20 -4.670 7.858 -15.004 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.892 7.759 -15.430 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.007 9.957 -15.605 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -2.353 10.197 -16.130 1.00 1.00 H new ATOM 334 N GLU A 21 -2.955 9.559 -12.882 1.00 1.00 N ATOM 335 CA GLU A 21 -2.539 10.279 -11.678 1.00 1.00 C ATOM 336 C GLU A 21 -1.815 9.352 -10.716 1.00 1.00 C ATOM 337 O GLU A 21 -0.812 9.725 -10.104 1.00 1.00 O ATOM 338 CB GLU A 21 -3.762 10.886 -10.978 1.00 1.00 C ATOM 339 CG GLU A 21 -4.631 9.797 -10.339 1.00 1.00 C ATOM 340 CD GLU A 21 -5.908 10.434 -9.794 1.00 1.00 C ATOM 341 OE1 GLU A 21 -5.957 11.653 -9.745 1.00 1.00 O ATOM 342 OE2 GLU A 21 -6.800 9.703 -9.410 1.00 1.00 O ATOM 0 H GLU A 21 -3.964 9.436 -12.972 1.00 1.00 H new ATOM 0 HA GLU A 21 -1.857 11.075 -11.978 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -3.434 11.590 -10.213 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.354 11.451 -11.698 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -4.877 9.032 -11.075 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -4.085 9.303 -9.536 1.00 1.00 H new ATOM 349 N ALA A 22 -2.337 8.146 -10.592 1.00 1.00 N ATOM 350 CA ALA A 22 -1.744 7.158 -9.707 1.00 1.00 C ATOM 351 C ALA A 22 -0.309 6.879 -10.124 1.00 1.00 C ATOM 352 O ALA A 22 0.613 6.944 -9.317 1.00 1.00 O ATOM 353 CB ALA A 22 -2.552 5.871 -9.786 1.00 1.00 C ATOM 0 H ALA A 22 -3.168 7.827 -11.091 1.00 1.00 H new ATOM 0 HA ALA A 22 -1.749 7.539 -8.686 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -2.113 5.124 -9.124 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -3.580 6.067 -9.480 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.543 5.498 -10.810 1.00 1.00 H new ATOM 359 N LYS A 23 -0.145 6.593 -11.406 1.00 1.00 N ATOM 360 CA LYS A 23 1.165 6.312 -11.972 1.00 1.00 C ATOM 361 C LYS A 23 2.088 7.517 -11.853 1.00 1.00 C ATOM 362 O LYS A 23 3.262 7.379 -11.503 1.00 1.00 O ATOM 363 CB LYS A 23 0.994 5.948 -13.440 1.00 1.00 C ATOM 364 CG LYS A 23 0.337 4.574 -13.554 1.00 1.00 C ATOM 365 CD LYS A 23 0.027 4.293 -15.020 1.00 1.00 C ATOM 366 CE LYS A 23 -0.494 2.863 -15.169 1.00 1.00 C ATOM 367 NZ LYS A 23 -0.784 2.595 -16.605 1.00 1.00 N ATOM 0 H LYS A 23 -0.910 6.549 -12.079 1.00 1.00 H new ATOM 0 HA LYS A 23 1.616 5.486 -11.421 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.382 6.698 -13.942 1.00 1.00 H new ATOM 0 HB3 LYS A 23 1.963 5.941 -13.939 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.999 3.806 -13.155 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -0.578 4.544 -12.963 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -0.715 5.001 -15.387 1.00 1.00 H new ATOM 0 HD3 LYS A 23 0.924 4.429 -15.624 1.00 1.00 H new ATOM 0 HE2 LYS A 23 0.245 2.153 -14.796 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.396 2.728 -14.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.623 1.986 -16.682 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -0.962 3.494 -17.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 0.031 2.118 -17.041 1.00 1.00 H new ATOM 381 N ALA A 24 1.559 8.693 -12.156 1.00 1.00 N ATOM 382 CA ALA A 24 2.360 9.906 -12.090 1.00 1.00 C ATOM 383 C ALA A 24 2.850 10.186 -10.676 1.00 1.00 C ATOM 384 O ALA A 24 4.028 10.442 -10.467 1.00 1.00 O ATOM 385 CB ALA A 24 1.534 11.093 -12.589 1.00 1.00 C ATOM 0 H ALA A 24 0.591 8.833 -12.446 1.00 1.00 H new ATOM 0 HA ALA A 24 3.235 9.762 -12.724 1.00 1.00 H new ATOM 0 HB1 ALA A 24 2.135 12.001 -12.539 1.00 1.00 H new ATOM 0 HB2 ALA A 24 1.229 10.916 -13.620 1.00 1.00 H new ATOM 0 HB3 ALA A 24 0.649 11.209 -11.964 1.00 1.00 H new ATOM 391 N MET A 25 1.947 10.147 -9.698 1.00 1.00 N ATOM 392 CA MET A 25 2.349 10.423 -8.319 1.00 1.00 C ATOM 393 C MET A 25 3.261 9.336 -7.754 1.00 1.00 C ATOM 394 O MET A 25 4.227 9.639 -7.064 1.00 1.00 O ATOM 395 CB MET A 25 1.115 10.643 -7.423 1.00 1.00 C ATOM 396 CG MET A 25 0.521 9.316 -6.936 1.00 1.00 C ATOM 397 SD MET A 25 -0.989 9.668 -5.997 1.00 1.00 S ATOM 398 CE MET A 25 -0.219 10.522 -4.594 1.00 1.00 C ATOM 0 H MET A 25 0.958 9.933 -9.827 1.00 1.00 H new ATOM 0 HA MET A 25 2.931 11.344 -8.330 1.00 1.00 H new ATOM 0 HB2 MET A 25 1.394 11.253 -6.564 1.00 1.00 H new ATOM 0 HB3 MET A 25 0.358 11.199 -7.977 1.00 1.00 H new ATOM 0 HG2 MET A 25 0.297 8.668 -7.784 1.00 1.00 H new ATOM 0 HG3 MET A 25 1.240 8.786 -6.311 1.00 1.00 H new ATOM 0 HE1 MET A 25 -0.624 10.129 -3.662 1.00 1.00 H new ATOM 0 HE2 MET A 25 0.859 10.361 -4.617 1.00 1.00 H new ATOM 0 HE3 MET A 25 -0.428 11.590 -4.659 1.00 1.00 H new ATOM 408 N ILE A 26 2.956 8.080 -8.040 1.00 1.00 N ATOM 409 CA ILE A 26 3.770 6.981 -7.531 1.00 1.00 C ATOM 410 C ILE A 26 5.199 7.035 -8.077 1.00 1.00 C ATOM 411 O ILE A 26 6.164 6.858 -7.328 1.00 1.00 O ATOM 412 CB ILE A 26 3.086 5.669 -7.911 1.00 1.00 C ATOM 413 CG1 ILE A 26 1.786 5.555 -7.110 1.00 1.00 C ATOM 414 CG2 ILE A 26 3.996 4.485 -7.574 1.00 1.00 C ATOM 415 CD1 ILE A 26 0.901 4.481 -7.723 1.00 1.00 C ATOM 0 H ILE A 26 2.162 7.796 -8.614 1.00 1.00 H new ATOM 0 HA ILE A 26 3.852 7.061 -6.447 1.00 1.00 H new ATOM 0 HB ILE A 26 2.878 5.657 -8.981 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.007 5.309 -6.072 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.264 6.512 -7.106 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.499 3.555 -7.849 1.00 1.00 H new ATOM 0 HG22 ILE A 26 4.930 4.575 -8.128 1.00 1.00 H new ATOM 0 HG23 ILE A 26 4.207 4.481 -6.505 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.024 4.402 -7.151 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.668 4.746 -8.754 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.423 3.524 -7.703 1.00 1.00 H new ATOM 427 N GLU A 27 5.334 7.291 -9.374 1.00 1.00 N ATOM 428 CA GLU A 27 6.654 7.379 -9.997 1.00 1.00 C ATOM 429 C GLU A 27 7.357 8.699 -9.656 1.00 1.00 C ATOM 430 O GLU A 27 8.584 8.751 -9.585 1.00 1.00 O ATOM 431 CB GLU A 27 6.522 7.196 -11.510 1.00 1.00 C ATOM 432 CG GLU A 27 6.122 5.745 -11.798 1.00 1.00 C ATOM 433 CD GLU A 27 5.853 5.565 -13.288 1.00 1.00 C ATOM 434 OE1 GLU A 27 6.013 6.527 -14.021 1.00 1.00 O ATOM 435 OE2 GLU A 27 5.492 4.465 -13.674 1.00 1.00 O ATOM 0 H GLU A 27 4.553 7.441 -10.012 1.00 1.00 H new ATOM 0 HA GLU A 27 7.277 6.579 -9.597 1.00 1.00 H new ATOM 0 HB2 GLU A 27 5.773 7.880 -11.909 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.465 7.433 -12.003 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.916 5.070 -11.479 1.00 1.00 H new ATOM 0 HG3 GLU A 27 5.232 5.484 -11.225 1.00 1.00 H new ATOM 442 N LYS A 28 6.581 9.756 -9.452 1.00 1.00 N ATOM 443 CA LYS A 28 7.152 11.065 -9.121 1.00 1.00 C ATOM 444 C LYS A 28 7.970 10.985 -7.837 1.00 1.00 C ATOM 445 O LYS A 28 9.086 11.501 -7.763 1.00 1.00 O ATOM 446 CB LYS A 28 6.026 12.087 -8.948 1.00 1.00 C ATOM 447 CG LYS A 28 6.611 13.477 -8.671 1.00 1.00 C ATOM 448 CD LYS A 28 5.489 14.523 -8.635 1.00 1.00 C ATOM 449 CE LYS A 28 4.709 14.433 -7.321 1.00 1.00 C ATOM 450 NZ LYS A 28 3.767 15.585 -7.241 1.00 1.00 N ATOM 0 H LYS A 28 5.563 9.739 -9.508 1.00 1.00 H new ATOM 0 HA LYS A 28 7.808 11.375 -9.934 1.00 1.00 H new ATOM 0 HB2 LYS A 28 5.410 12.116 -9.847 1.00 1.00 H new ATOM 0 HB3 LYS A 28 5.376 11.787 -8.126 1.00 1.00 H new ATOM 0 HG2 LYS A 28 7.145 13.473 -7.721 1.00 1.00 H new ATOM 0 HG3 LYS A 28 7.336 13.736 -9.443 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.912 15.522 -8.745 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.813 14.368 -9.476 1.00 1.00 H new ATOM 0 HE2 LYS A 28 4.160 13.493 -7.272 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.394 14.447 -6.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 3.231 15.534 -6.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 4.304 16.475 -7.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 3.108 15.551 -8.045 1.00 1.00 H new ATOM 464 N LEU A 29 7.416 10.316 -6.832 1.00 1.00 N ATOM 465 CA LEU A 29 8.108 10.150 -5.560 1.00 1.00 C ATOM 466 C LEU A 29 9.363 9.361 -5.819 1.00 1.00 C ATOM 467 O LEU A 29 10.416 9.587 -5.225 1.00 1.00 O ATOM 468 CB LEU A 29 7.250 9.321 -4.595 1.00 1.00 C ATOM 469 CG LEU A 29 5.937 10.050 -4.318 1.00 1.00 C ATOM 470 CD1 LEU A 29 4.973 9.123 -3.552 1.00 1.00 C ATOM 471 CD2 LEU A 29 6.195 11.324 -3.506 1.00 1.00 C ATOM 0 H LEU A 29 6.494 9.882 -6.873 1.00 1.00 H new ATOM 0 HA LEU A 29 8.314 11.131 -5.131 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.049 8.339 -5.024 1.00 1.00 H new ATOM 0 HB3 LEU A 29 7.790 9.157 -3.662 1.00 1.00 H new ATOM 0 HG LEU A 29 5.484 10.329 -5.269 1.00 1.00 H new ATOM 0 HD11 LEU A 29 4.039 9.650 -3.358 1.00 1.00 H new ATOM 0 HD12 LEU A 29 4.771 8.234 -4.150 1.00 1.00 H new ATOM 0 HD13 LEU A 29 5.427 8.828 -2.606 1.00 1.00 H new ATOM 0 HD21 LEU A 29 5.250 11.832 -3.317 1.00 1.00 H new ATOM 0 HD22 LEU A 29 6.663 11.062 -2.557 1.00 1.00 H new ATOM 0 HD23 LEU A 29 6.856 11.985 -4.066 1.00 1.00 H new ATOM 483 N GLY A 30 9.191 8.386 -6.687 1.00 1.00 N ATOM 484 CA GLY A 30 10.237 7.457 -7.056 1.00 1.00 C ATOM 485 C GLY A 30 9.695 6.060 -6.847 1.00 1.00 C ATOM 486 O GLY A 30 10.386 5.066 -7.067 1.00 1.00 O ATOM 0 H GLY A 30 8.306 8.215 -7.163 1.00 1.00 H new ATOM 0 HA2 GLY A 30 10.531 7.603 -8.095 1.00 1.00 H new ATOM 0 HA3 GLY A 30 11.127 7.619 -6.447 1.00 1.00 H new ATOM 490 N GLY A 31 8.433 5.999 -6.411 1.00 1.00 N ATOM 491 CA GLY A 31 7.790 4.718 -6.171 1.00 1.00 C ATOM 492 C GLY A 31 7.725 3.897 -7.453 1.00 1.00 C ATOM 493 O GLY A 31 7.736 4.445 -8.556 1.00 1.00 O ATOM 0 H GLY A 31 7.849 6.813 -6.221 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.340 4.167 -5.408 1.00 1.00 H new ATOM 0 HA3 GLY A 31 6.783 4.878 -5.785 1.00 1.00 H new ATOM 497 N LYS A 32 7.668 2.578 -7.299 1.00 1.00 N ATOM 498 CA LYS A 32 7.610 1.666 -8.442 1.00 1.00 C ATOM 499 C LYS A 32 6.625 0.539 -8.163 1.00 1.00 C ATOM 500 O LYS A 32 6.395 0.179 -7.006 1.00 1.00 O ATOM 501 CB LYS A 32 8.992 1.068 -8.710 1.00 1.00 C ATOM 502 CG LYS A 32 9.937 2.155 -9.233 1.00 1.00 C ATOM 503 CD LYS A 32 11.349 1.574 -9.404 1.00 1.00 C ATOM 504 CE LYS A 32 11.401 0.629 -10.610 1.00 1.00 C ATOM 505 NZ LYS A 32 12.823 0.398 -10.996 1.00 1.00 N ATOM 0 H LYS A 32 7.661 2.113 -6.391 1.00 1.00 H new ATOM 0 HA LYS A 32 7.282 2.229 -9.316 1.00 1.00 H new ATOM 0 HB2 LYS A 32 9.394 0.634 -7.795 1.00 1.00 H new ATOM 0 HB3 LYS A 32 8.914 0.261 -9.438 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.573 2.539 -10.186 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.960 2.995 -8.539 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.067 2.383 -9.538 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.639 1.036 -8.501 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.920 -0.318 -10.365 1.00 1.00 H new ATOM 0 HE3 LYS A 32 10.850 1.059 -11.447 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 12.861 -0.243 -11.814 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 13.267 1.305 -11.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 13.334 -0.029 -10.198 1.00 1.00 H new ATOM 519 N LEU A 33 6.055 -0.024 -9.225 1.00 1.00 N ATOM 520 CA LEU A 33 5.100 -1.126 -9.088 1.00 1.00 C ATOM 521 C LEU A 33 5.809 -2.466 -9.254 1.00 1.00 C ATOM 522 O LEU A 33 6.479 -2.699 -10.261 1.00 1.00 O ATOM 523 CB LEU A 33 4.014 -1.020 -10.162 1.00 1.00 C ATOM 524 CG LEU A 33 3.196 0.266 -9.985 1.00 1.00 C ATOM 525 CD1 LEU A 33 2.209 0.384 -11.152 1.00 1.00 C ATOM 526 CD2 LEU A 33 2.420 0.223 -8.654 1.00 1.00 C ATOM 0 H LEU A 33 6.235 0.261 -10.188 1.00 1.00 H new ATOM 0 HA LEU A 33 4.653 -1.063 -8.096 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.472 -1.032 -11.151 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.355 -1.886 -10.106 1.00 1.00 H new ATOM 0 HG LEU A 33 3.865 1.126 -9.971 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.620 1.294 -11.040 1.00 1.00 H new ATOM 0 HD12 LEU A 33 2.760 0.422 -12.092 1.00 1.00 H new ATOM 0 HD13 LEU A 33 1.545 -0.480 -11.155 1.00 1.00 H new ATOM 0 HD21 LEU A 33 1.843 1.141 -8.539 1.00 1.00 H new ATOM 0 HD22 LEU A 33 1.745 -0.632 -8.654 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.123 0.130 -7.826 1.00 1.00 H new ATOM 538 N THR A 34 5.651 -3.353 -8.267 1.00 1.00 N ATOM 539 CA THR A 34 6.276 -4.681 -8.320 1.00 1.00 C ATOM 540 C THR A 34 5.216 -5.779 -8.296 1.00 1.00 C ATOM 541 O THR A 34 4.449 -5.902 -7.342 1.00 1.00 O ATOM 542 CB THR A 34 7.227 -4.845 -7.134 1.00 1.00 C ATOM 543 OG1 THR A 34 8.258 -3.872 -7.213 1.00 1.00 O ATOM 544 CG2 THR A 34 7.849 -6.244 -7.143 1.00 1.00 C ATOM 0 H THR A 34 5.100 -3.179 -7.427 1.00 1.00 H new ATOM 0 HA THR A 34 6.836 -4.768 -9.251 1.00 1.00 H new ATOM 0 HB THR A 34 6.664 -4.711 -6.210 1.00 1.00 H new ATOM 0 HG1 THR A 34 9.068 -4.283 -7.581 1.00 1.00 H new ATOM 0 HG21 THR A 34 8.524 -6.348 -6.293 1.00 1.00 H new ATOM 0 HG22 THR A 34 7.060 -6.993 -7.073 1.00 1.00 H new ATOM 0 HG23 THR A 34 8.406 -6.389 -8.069 1.00 1.00 H new ATOM 552 N GLY A 35 5.200 -6.578 -9.358 1.00 1.00 N ATOM 553 CA GLY A 35 4.252 -7.683 -9.484 1.00 1.00 C ATOM 554 C GLY A 35 4.539 -8.792 -8.477 1.00 1.00 C ATOM 555 O GLY A 35 3.621 -9.417 -7.947 1.00 1.00 O ATOM 0 H GLY A 35 5.836 -6.481 -10.149 1.00 1.00 H new ATOM 0 HA2 GLY A 35 3.238 -7.311 -9.336 1.00 1.00 H new ATOM 0 HA3 GLY A 35 4.298 -8.089 -10.495 1.00 1.00 H new ATOM 559 N SER A 36 5.820 -9.038 -8.236 1.00 1.00 N ATOM 560 CA SER A 36 6.234 -10.085 -7.308 1.00 1.00 C ATOM 561 C SER A 36 5.774 -9.760 -5.890 1.00 1.00 C ATOM 562 O SER A 36 5.809 -8.605 -5.471 1.00 1.00 O ATOM 563 CB SER A 36 7.760 -10.205 -7.330 1.00 1.00 C ATOM 564 OG SER A 36 8.163 -10.837 -8.538 1.00 1.00 O ATOM 0 H SER A 36 6.590 -8.528 -8.669 1.00 1.00 H new ATOM 0 HA SER A 36 5.779 -11.026 -7.616 1.00 1.00 H new ATOM 0 HB2 SER A 36 8.215 -9.218 -7.253 1.00 1.00 H new ATOM 0 HB3 SER A 36 8.104 -10.782 -6.472 1.00 1.00 H new ATOM 0 HG SER A 36 9.140 -10.914 -8.557 1.00 1.00 H new ATOM 570 N ALA A 37 5.365 -10.791 -5.149 1.00 1.00 N ATOM 571 CA ALA A 37 4.918 -10.613 -3.768 1.00 1.00 C ATOM 572 C ALA A 37 6.097 -10.793 -2.809 1.00 1.00 C ATOM 573 O ALA A 37 7.103 -11.411 -3.156 1.00 1.00 O ATOM 574 CB ALA A 37 3.797 -11.616 -3.442 1.00 1.00 C ATOM 0 H ALA A 37 5.334 -11.755 -5.481 1.00 1.00 H new ATOM 0 HA ALA A 37 4.524 -9.604 -3.648 1.00 1.00 H new ATOM 0 HB1 ALA A 37 3.471 -11.475 -2.411 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.955 -11.452 -4.114 1.00 1.00 H new ATOM 0 HB3 ALA A 37 4.170 -12.632 -3.569 1.00 1.00 H new ATOM 580 N ASN A 38 5.962 -10.214 -1.616 1.00 1.00 N ATOM 581 CA ASN A 38 7.006 -10.262 -0.595 1.00 1.00 C ATOM 582 C ASN A 38 8.169 -9.357 -0.983 1.00 1.00 C ATOM 583 O ASN A 38 8.782 -8.718 -0.129 1.00 1.00 O ATOM 584 CB ASN A 38 7.494 -11.689 -0.373 1.00 1.00 C ATOM 585 CG ASN A 38 8.215 -11.787 0.975 1.00 1.00 C ATOM 586 OD1 ASN A 38 9.369 -12.217 1.036 1.00 1.00 O ATOM 587 ND2 ASN A 38 7.606 -11.382 2.063 1.00 1.00 N ATOM 0 H ASN A 38 5.128 -9.700 -1.332 1.00 1.00 H new ATOM 0 HA ASN A 38 6.579 -9.903 0.341 1.00 1.00 H new ATOM 0 HB2 ASN A 38 6.651 -12.379 -0.396 1.00 1.00 H new ATOM 0 HB3 ASN A 38 8.168 -11.982 -1.178 1.00 1.00 H new ATOM 0 HD21 ASN A 38 8.087 -11.422 2.962 1.00 1.00 H new ATOM 0 HD22 ASN A 38 6.651 -11.027 2.011 1.00 1.00 H new ATOM 594 N LYS A 39 8.455 -9.298 -2.279 1.00 1.00 N ATOM 595 CA LYS A 39 9.533 -8.454 -2.779 1.00 1.00 C ATOM 596 C LYS A 39 9.193 -6.987 -2.521 1.00 1.00 C ATOM 597 O LYS A 39 10.058 -6.178 -2.184 1.00 1.00 O ATOM 598 CB LYS A 39 9.724 -8.684 -4.271 1.00 1.00 C ATOM 599 CG LYS A 39 10.965 -7.932 -4.748 1.00 1.00 C ATOM 600 CD LYS A 39 11.192 -8.248 -6.221 1.00 1.00 C ATOM 601 CE LYS A 39 12.452 -7.539 -6.722 1.00 1.00 C ATOM 602 NZ LYS A 39 12.238 -6.066 -6.695 1.00 1.00 N ATOM 0 H LYS A 39 7.958 -9.822 -2.999 1.00 1.00 H new ATOM 0 HA LYS A 39 10.458 -8.708 -2.261 1.00 1.00 H new ATOM 0 HB2 LYS A 39 9.831 -9.749 -4.475 1.00 1.00 H new ATOM 0 HB3 LYS A 39 8.846 -8.341 -4.818 1.00 1.00 H new ATOM 0 HG2 LYS A 39 10.834 -6.859 -4.608 1.00 1.00 H new ATOM 0 HG3 LYS A 39 11.834 -8.226 -4.160 1.00 1.00 H new ATOM 0 HD2 LYS A 39 11.292 -9.325 -6.359 1.00 1.00 H new ATOM 0 HD3 LYS A 39 10.329 -7.930 -6.806 1.00 1.00 H new ATOM 0 HE2 LYS A 39 13.304 -7.805 -6.097 1.00 1.00 H new ATOM 0 HE3 LYS A 39 12.686 -7.864 -7.736 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 12.964 -5.599 -7.275 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 11.296 -5.845 -7.076 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 12.304 -5.723 -5.715 1.00 1.00 H new ATOM 616 N ALA A 40 7.911 -6.664 -2.680 1.00 1.00 N ATOM 617 CA ALA A 40 7.433 -5.299 -2.468 1.00 1.00 C ATOM 618 C ALA A 40 7.536 -4.927 -0.995 1.00 1.00 C ATOM 619 O ALA A 40 7.921 -5.758 -0.174 1.00 1.00 O ATOM 620 CB ALA A 40 5.984 -5.177 -2.923 1.00 1.00 C ATOM 0 H ALA A 40 7.186 -7.327 -2.954 1.00 1.00 H new ATOM 0 HA ALA A 40 8.053 -4.619 -3.052 1.00 1.00 H new ATOM 0 HB1 ALA A 40 5.637 -4.157 -2.761 1.00 1.00 H new ATOM 0 HB2 ALA A 40 5.914 -5.420 -3.983 1.00 1.00 H new ATOM 0 HB3 ALA A 40 5.364 -5.867 -2.351 1.00 1.00 H new ATOM 626 N SER A 41 7.195 -3.675 -0.655 1.00 1.00 N ATOM 627 CA SER A 41 7.267 -3.233 0.743 1.00 1.00 C ATOM 628 C SER A 41 5.870 -3.102 1.333 1.00 1.00 C ATOM 629 O SER A 41 5.482 -3.865 2.218 1.00 1.00 O ATOM 630 CB SER A 41 7.981 -1.887 0.820 1.00 1.00 C ATOM 631 OG SER A 41 9.371 -2.084 0.592 1.00 1.00 O ATOM 0 H SER A 41 6.874 -2.965 -1.313 1.00 1.00 H new ATOM 0 HA SER A 41 7.822 -3.976 1.316 1.00 1.00 H new ATOM 0 HB2 SER A 41 7.572 -1.201 0.078 1.00 1.00 H new ATOM 0 HB3 SER A 41 7.821 -1.432 1.797 1.00 1.00 H new ATOM 0 HG SER A 41 9.882 -1.404 1.078 1.00 1.00 H new ATOM 637 N LEU A 42 5.120 -2.122 0.835 1.00 1.00 N ATOM 638 CA LEU A 42 3.761 -1.880 1.312 1.00 1.00 C ATOM 639 C LEU A 42 2.753 -2.041 0.181 1.00 1.00 C ATOM 640 O LEU A 42 2.806 -1.350 -0.837 1.00 1.00 O ATOM 641 CB LEU A 42 3.673 -0.475 1.900 1.00 1.00 C ATOM 642 CG LEU A 42 4.619 -0.366 3.105 1.00 1.00 C ATOM 643 CD1 LEU A 42 4.613 1.071 3.615 1.00 1.00 C ATOM 644 CD2 LEU A 42 4.179 -1.325 4.223 1.00 1.00 C ATOM 0 H LEU A 42 5.430 -1.483 0.102 1.00 1.00 H new ATOM 0 HA LEU A 42 3.523 -2.613 2.083 1.00 1.00 H new ATOM 0 HB2 LEU A 42 3.941 0.264 1.145 1.00 1.00 H new ATOM 0 HB3 LEU A 42 2.649 -0.261 2.207 1.00 1.00 H new ATOM 0 HG LEU A 42 5.627 -0.642 2.797 1.00 1.00 H new ATOM 0 HD11 LEU A 42 5.283 1.156 4.471 1.00 1.00 H new ATOM 0 HD12 LEU A 42 4.950 1.740 2.823 1.00 1.00 H new ATOM 0 HD13 LEU A 42 3.602 1.346 3.916 1.00 1.00 H new ATOM 0 HD21 LEU A 42 4.860 -1.235 5.069 1.00 1.00 H new ATOM 0 HD22 LEU A 42 3.168 -1.072 4.543 1.00 1.00 H new ATOM 0 HD23 LEU A 42 4.196 -2.349 3.851 1.00 1.00 H new ATOM 656 N CYS A 43 1.830 -2.965 0.390 1.00 1.00 N ATOM 657 CA CYS A 43 0.779 -3.251 -0.582 1.00 1.00 C ATOM 658 C CYS A 43 -0.331 -2.217 -0.470 1.00 1.00 C ATOM 659 O CYS A 43 -0.550 -1.645 0.596 1.00 1.00 O ATOM 660 CB CYS A 43 0.208 -4.652 -0.330 1.00 1.00 C ATOM 661 SG CYS A 43 -1.360 -4.842 -1.212 1.00 1.00 S ATOM 0 H CYS A 43 1.785 -3.538 1.233 1.00 1.00 H new ATOM 0 HA CYS A 43 1.203 -3.209 -1.585 1.00 1.00 H new ATOM 0 HB2 CYS A 43 0.917 -5.409 -0.663 1.00 1.00 H new ATOM 0 HB3 CYS A 43 0.056 -4.806 0.738 1.00 1.00 H new ATOM 0 HG CYS A 43 -2.201 -5.494 -0.466 1.00 1.00 H new ATOM 667 N ILE A 44 -1.029 -1.971 -1.581 1.00 1.00 N ATOM 668 CA ILE A 44 -2.114 -0.993 -1.583 1.00 1.00 C ATOM 669 C ILE A 44 -3.450 -1.712 -1.530 1.00 1.00 C ATOM 670 O ILE A 44 -3.882 -2.323 -2.510 1.00 1.00 O ATOM 671 CB ILE A 44 -2.059 -0.155 -2.866 1.00 1.00 C ATOM 672 CG1 ILE A 44 -0.664 0.482 -3.032 1.00 1.00 C ATOM 673 CG2 ILE A 44 -3.131 0.938 -2.814 1.00 1.00 C ATOM 674 CD1 ILE A 44 -0.457 1.688 -2.089 1.00 1.00 C ATOM 0 H ILE A 44 -0.864 -2.429 -2.477 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.004 -0.345 -0.714 1.00 1.00 H new ATOM 0 HB ILE A 44 -2.248 -0.805 -3.721 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.102 -0.268 -2.834 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.534 0.804 -4.065 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -3.090 1.532 -3.727 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.115 0.478 -2.724 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -2.952 1.583 -1.953 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.539 2.103 -2.242 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -1.205 2.451 -2.305 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.559 1.362 -1.054 1.00 1.00 H new ATOM 686 N SER A 45 -4.108 -1.610 -0.389 1.00 1.00 N ATOM 687 CA SER A 45 -5.412 -2.227 -0.209 1.00 1.00 C ATOM 688 C SER A 45 -6.152 -1.544 0.935 1.00 1.00 C ATOM 689 O SER A 45 -5.574 -1.268 1.985 1.00 1.00 O ATOM 690 CB SER A 45 -5.267 -3.719 0.080 1.00 1.00 C ATOM 691 OG SER A 45 -6.526 -4.351 -0.096 1.00 1.00 O ATOM 0 H SER A 45 -3.762 -1.106 0.427 1.00 1.00 H new ATOM 0 HA SER A 45 -5.983 -2.109 -1.130 1.00 1.00 H new ATOM 0 HB2 SER A 45 -4.528 -4.161 -0.588 1.00 1.00 H new ATOM 0 HB3 SER A 45 -4.909 -3.872 1.098 1.00 1.00 H new ATOM 0 HG SER A 45 -6.958 -4.000 -0.903 1.00 1.00 H new ATOM 697 N THR A 46 -7.430 -1.273 0.720 1.00 1.00 N ATOM 698 CA THR A 46 -8.254 -0.621 1.737 1.00 1.00 C ATOM 699 C THR A 46 -8.924 -1.664 2.624 1.00 1.00 C ATOM 700 O THR A 46 -8.953 -2.847 2.289 1.00 1.00 O ATOM 701 CB THR A 46 -9.325 0.239 1.062 1.00 1.00 C ATOM 702 OG1 THR A 46 -10.213 -0.612 0.347 1.00 1.00 O ATOM 703 CG2 THR A 46 -8.660 1.213 0.089 1.00 1.00 C ATOM 0 H THR A 46 -7.922 -1.492 -0.146 1.00 1.00 H new ATOM 0 HA THR A 46 -7.614 0.010 2.353 1.00 1.00 H new ATOM 0 HB THR A 46 -9.876 0.803 1.815 1.00 1.00 H new ATOM 0 HG1 THR A 46 -10.905 -0.071 -0.088 1.00 1.00 H new ATOM 0 HG21 THR A 46 -9.423 1.825 -0.391 1.00 1.00 H new ATOM 0 HG22 THR A 46 -7.969 1.856 0.634 1.00 1.00 H new ATOM 0 HG23 THR A 46 -8.113 0.653 -0.670 1.00 1.00 H new ATOM 711 N LYS A 47 -9.485 -1.214 3.742 1.00 1.00 N ATOM 712 CA LYS A 47 -10.171 -2.116 4.652 1.00 1.00 C ATOM 713 C LYS A 47 -11.262 -2.868 3.918 1.00 1.00 C ATOM 714 O LYS A 47 -11.476 -4.055 4.149 1.00 1.00 O ATOM 715 CB LYS A 47 -10.811 -1.288 5.783 1.00 1.00 C ATOM 716 CG LYS A 47 -10.005 -1.374 7.071 1.00 1.00 C ATOM 717 CD LYS A 47 -10.236 -2.713 7.768 1.00 1.00 C ATOM 718 CE LYS A 47 -9.432 -2.708 9.058 1.00 1.00 C ATOM 719 NZ LYS A 47 -9.744 -3.928 9.854 1.00 1.00 N ATOM 0 H LYS A 47 -9.477 -0.237 4.036 1.00 1.00 H new ATOM 0 HA LYS A 47 -9.455 -2.830 5.059 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -10.889 -0.246 5.472 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -11.825 -1.643 5.964 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -8.945 -1.252 6.850 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -10.288 -0.559 7.737 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -11.296 -2.857 7.979 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -9.924 -3.537 7.126 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -8.366 -2.673 8.832 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -9.665 -1.815 9.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -10.037 -3.651 10.813 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -10.515 -4.454 9.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.899 -4.531 9.911 1.00 1.00 H new ATOM 733 N LYS A 48 -11.959 -2.179 3.044 1.00 1.00 N ATOM 734 CA LYS A 48 -13.031 -2.827 2.323 1.00 1.00 C ATOM 735 C LYS A 48 -12.481 -4.049 1.607 1.00 1.00 C ATOM 736 O LYS A 48 -13.110 -5.096 1.629 1.00 1.00 O ATOM 737 CB LYS A 48 -13.635 -1.867 1.295 1.00 1.00 C ATOM 738 CG LYS A 48 -14.335 -0.718 2.031 1.00 1.00 C ATOM 739 CD LYS A 48 -14.992 0.241 1.027 1.00 1.00 C ATOM 740 CE LYS A 48 -13.960 1.226 0.468 1.00 1.00 C ATOM 741 NZ LYS A 48 -13.333 1.982 1.591 1.00 1.00 N ATOM 0 H LYS A 48 -11.810 -1.196 2.818 1.00 1.00 H new ATOM 0 HA LYS A 48 -13.807 -3.124 3.028 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -12.855 -1.475 0.643 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -14.346 -2.395 0.660 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -15.089 -1.118 2.708 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -13.613 -0.176 2.642 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -15.439 -0.328 0.212 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -15.799 0.789 1.514 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -13.196 0.689 -0.094 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -14.439 1.916 -0.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -13.210 2.977 1.314 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -13.946 1.930 2.430 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -12.406 1.567 1.814 1.00 1.00 H new ATOM 755 N GLU A 49 -11.304 -3.905 0.991 1.00 1.00 N ATOM 756 CA GLU A 49 -10.663 -5.007 0.265 1.00 1.00 C ATOM 757 C GLU A 49 -10.125 -6.097 1.197 1.00 1.00 C ATOM 758 O GLU A 49 -10.275 -7.285 0.914 1.00 1.00 O ATOM 759 CB GLU A 49 -9.505 -4.449 -0.556 1.00 1.00 C ATOM 760 CG GLU A 49 -10.052 -3.450 -1.576 1.00 1.00 C ATOM 761 CD GLU A 49 -8.913 -2.881 -2.415 1.00 1.00 C ATOM 762 OE1 GLU A 49 -7.799 -3.357 -2.268 1.00 1.00 O ATOM 763 OE2 GLU A 49 -9.174 -1.984 -3.199 1.00 1.00 O ATOM 0 H GLU A 49 -10.774 -3.034 0.980 1.00 1.00 H new ATOM 0 HA GLU A 49 -11.421 -5.463 -0.371 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -8.781 -3.962 0.097 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -8.981 -5.258 -1.065 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -10.780 -3.940 -2.222 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -10.574 -2.643 -1.062 1.00 1.00 H new ATOM 770 N VAL A 50 -9.478 -5.688 2.284 1.00 1.00 N ATOM 771 CA VAL A 50 -8.896 -6.646 3.231 1.00 1.00 C ATOM 772 C VAL A 50 -9.990 -7.455 3.913 1.00 1.00 C ATOM 773 O VAL A 50 -9.858 -8.659 4.102 1.00 1.00 O ATOM 774 CB VAL A 50 -8.074 -5.924 4.301 1.00 1.00 C ATOM 775 CG1 VAL A 50 -7.495 -6.948 5.284 1.00 1.00 C ATOM 776 CG2 VAL A 50 -6.929 -5.140 3.650 1.00 1.00 C ATOM 0 H VAL A 50 -9.342 -4.709 2.534 1.00 1.00 H new ATOM 0 HA VAL A 50 -8.245 -7.313 2.666 1.00 1.00 H new ATOM 0 HB VAL A 50 -8.723 -5.230 4.834 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -6.910 -6.431 6.045 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -8.308 -7.495 5.761 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -6.854 -7.647 4.746 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -6.352 -4.631 4.422 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -6.281 -5.827 3.106 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -7.339 -4.404 2.959 1.00 1.00 H new ATOM 786 N GLU A 51 -11.056 -6.780 4.298 1.00 1.00 N ATOM 787 CA GLU A 51 -12.157 -7.425 4.991 1.00 1.00 C ATOM 788 C GLU A 51 -12.723 -8.614 4.214 1.00 1.00 C ATOM 789 O GLU A 51 -13.181 -9.585 4.815 1.00 1.00 O ATOM 790 CB GLU A 51 -13.247 -6.380 5.253 1.00 1.00 C ATOM 791 CG GLU A 51 -12.766 -5.414 6.355 1.00 1.00 C ATOM 792 CD GLU A 51 -12.790 -6.111 7.710 1.00 1.00 C ATOM 793 OE1 GLU A 51 -13.509 -7.088 7.842 1.00 1.00 O ATOM 794 OE2 GLU A 51 -12.084 -5.657 8.598 1.00 1.00 O ATOM 0 H GLU A 51 -11.184 -5.780 4.142 1.00 1.00 H new ATOM 0 HA GLU A 51 -11.783 -7.828 5.932 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -13.466 -5.828 4.339 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -14.171 -6.870 5.559 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -11.756 -5.070 6.132 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -13.405 -4.531 6.380 1.00 1.00 H new ATOM 801 N LYS A 52 -12.707 -8.531 2.896 1.00 1.00 N ATOM 802 CA LYS A 52 -13.244 -9.604 2.065 1.00 1.00 C ATOM 803 C LYS A 52 -12.432 -10.887 2.228 1.00 1.00 C ATOM 804 O LYS A 52 -12.987 -11.986 2.210 1.00 1.00 O ATOM 805 CB LYS A 52 -13.246 -9.180 0.598 1.00 1.00 C ATOM 806 CG LYS A 52 -13.631 -7.713 0.527 1.00 1.00 C ATOM 807 CD LYS A 52 -13.974 -7.337 -0.908 1.00 1.00 C ATOM 808 CE LYS A 52 -14.428 -5.879 -0.960 1.00 1.00 C ATOM 809 NZ LYS A 52 -14.795 -5.523 -2.360 1.00 1.00 N ATOM 0 H LYS A 52 -12.331 -7.738 2.376 1.00 1.00 H new ATOM 0 HA LYS A 52 -14.266 -9.800 2.389 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -12.262 -9.336 0.156 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -13.951 -9.786 0.029 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -14.485 -7.520 1.177 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -12.809 -7.094 0.888 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -13.105 -7.481 -1.550 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -14.762 -7.988 -1.287 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -15.282 -5.729 -0.299 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -13.631 -5.226 -0.604 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -15.104 -4.531 -2.396 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -13.969 -5.651 -2.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -15.568 -6.139 -2.683 1.00 1.00 H new ATOM 823 N MET A 53 -11.116 -10.728 2.343 1.00 1.00 N ATOM 824 CA MET A 53 -10.213 -11.876 2.472 1.00 1.00 C ATOM 825 C MET A 53 -10.330 -12.772 1.242 1.00 1.00 C ATOM 826 O MET A 53 -10.596 -13.968 1.345 1.00 1.00 O ATOM 827 CB MET A 53 -10.531 -12.664 3.753 1.00 1.00 C ATOM 828 CG MET A 53 -10.114 -11.850 4.987 1.00 1.00 C ATOM 829 SD MET A 53 -8.342 -12.084 5.285 1.00 1.00 S ATOM 830 CE MET A 53 -7.896 -10.362 5.608 1.00 1.00 C ATOM 0 H MET A 53 -10.650 -9.821 2.350 1.00 1.00 H new ATOM 0 HA MET A 53 -9.187 -11.515 2.541 1.00 1.00 H new ATOM 0 HB2 MET A 53 -11.597 -12.887 3.797 1.00 1.00 H new ATOM 0 HB3 MET A 53 -10.006 -13.619 3.742 1.00 1.00 H new ATOM 0 HG2 MET A 53 -10.332 -10.793 4.831 1.00 1.00 H new ATOM 0 HG3 MET A 53 -10.687 -12.169 5.858 1.00 1.00 H new ATOM 0 HE1 MET A 53 -7.009 -10.328 6.241 1.00 1.00 H new ATOM 0 HE2 MET A 53 -7.688 -9.857 4.665 1.00 1.00 H new ATOM 0 HE3 MET A 53 -8.721 -9.861 6.114 1.00 1.00 H new ATOM 840 N SER A 54 -10.142 -12.159 0.074 1.00 1.00 N ATOM 841 CA SER A 54 -10.233 -12.872 -1.201 1.00 1.00 C ATOM 842 C SER A 54 -8.924 -13.593 -1.529 1.00 1.00 C ATOM 843 O SER A 54 -7.988 -13.609 -0.727 1.00 1.00 O ATOM 844 CB SER A 54 -10.583 -11.889 -2.319 1.00 1.00 C ATOM 845 OG SER A 54 -11.896 -11.384 -2.103 1.00 1.00 O ATOM 0 H SER A 54 -9.925 -11.166 -0.016 1.00 1.00 H new ATOM 0 HA SER A 54 -11.018 -13.623 -1.116 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.864 -11.070 -2.338 1.00 1.00 H new ATOM 0 HB3 SER A 54 -10.526 -12.386 -3.288 1.00 1.00 H new ATOM 0 HG SER A 54 -12.125 -10.752 -2.816 1.00 1.00 H new ATOM 851 N LYS A 55 -8.884 -14.209 -2.709 1.00 1.00 N ATOM 852 CA LYS A 55 -7.714 -14.967 -3.150 1.00 1.00 C ATOM 853 C LYS A 55 -6.468 -14.081 -3.223 1.00 1.00 C ATOM 854 O LYS A 55 -5.391 -14.486 -2.789 1.00 1.00 O ATOM 855 CB LYS A 55 -8.009 -15.582 -4.520 1.00 1.00 C ATOM 856 CG LYS A 55 -6.863 -16.500 -4.951 1.00 1.00 C ATOM 857 CD LYS A 55 -7.256 -17.193 -6.256 1.00 1.00 C ATOM 858 CE LYS A 55 -6.145 -18.145 -6.702 1.00 1.00 C ATOM 859 NZ LYS A 55 -4.891 -17.369 -6.923 1.00 1.00 N ATOM 0 H LYS A 55 -9.652 -14.198 -3.380 1.00 1.00 H new ATOM 0 HA LYS A 55 -7.511 -15.754 -2.424 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -8.940 -16.147 -4.479 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -8.148 -14.792 -5.258 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -5.948 -15.923 -5.090 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -6.659 -17.240 -4.177 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -8.185 -17.746 -6.118 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -7.440 -16.449 -7.031 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -5.983 -18.913 -5.946 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -6.436 -18.657 -7.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -4.241 -17.922 -7.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -5.117 -16.472 -7.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -4.439 -17.171 -6.007 1.00 1.00 H new ATOM 873 N LYS A 56 -6.614 -12.878 -3.770 1.00 1.00 N ATOM 874 CA LYS A 56 -5.486 -11.956 -3.882 1.00 1.00 C ATOM 875 C LYS A 56 -4.954 -11.602 -2.496 1.00 1.00 C ATOM 876 O LYS A 56 -3.743 -11.553 -2.280 1.00 1.00 O ATOM 877 CB LYS A 56 -5.920 -10.678 -4.614 1.00 1.00 C ATOM 878 CG LYS A 56 -6.363 -10.980 -6.063 1.00 1.00 C ATOM 879 CD LYS A 56 -5.183 -11.418 -6.945 1.00 1.00 C ATOM 880 CE LYS A 56 -5.693 -11.675 -8.365 1.00 1.00 C ATOM 881 NZ LYS A 56 -4.555 -12.087 -9.235 1.00 1.00 N ATOM 0 H LYS A 56 -7.494 -12.520 -4.140 1.00 1.00 H new ATOM 0 HA LYS A 56 -4.694 -12.442 -4.452 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -6.740 -10.207 -4.072 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -5.095 -9.966 -4.625 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -7.120 -11.764 -6.055 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -6.827 -10.092 -6.493 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -4.413 -10.646 -6.955 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -4.725 -12.320 -6.540 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -6.456 -12.453 -8.353 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -6.162 -10.775 -8.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -4.901 -12.262 -10.200 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -3.842 -11.331 -9.255 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -4.127 -12.957 -8.858 1.00 1.00 H new ATOM 895 N MET A 57 -5.865 -11.385 -1.555 1.00 1.00 N ATOM 896 CA MET A 57 -5.477 -11.066 -0.190 1.00 1.00 C ATOM 897 C MET A 57 -4.679 -12.233 0.390 1.00 1.00 C ATOM 898 O MET A 57 -3.707 -12.045 1.120 1.00 1.00 O ATOM 899 CB MET A 57 -6.741 -10.789 0.659 1.00 1.00 C ATOM 900 CG MET A 57 -6.548 -9.537 1.520 1.00 1.00 C ATOM 901 SD MET A 57 -4.994 -9.673 2.441 1.00 1.00 S ATOM 902 CE MET A 57 -5.440 -11.094 3.473 1.00 1.00 C ATOM 0 H MET A 57 -6.872 -11.424 -1.712 1.00 1.00 H new ATOM 0 HA MET A 57 -4.853 -10.172 -0.178 1.00 1.00 H new ATOM 0 HB2 MET A 57 -7.603 -10.658 0.005 1.00 1.00 H new ATOM 0 HB3 MET A 57 -6.952 -11.647 1.297 1.00 1.00 H new ATOM 0 HG2 MET A 57 -6.533 -8.648 0.890 1.00 1.00 H new ATOM 0 HG3 MET A 57 -7.384 -9.425 2.210 1.00 1.00 H new ATOM 0 HE1 MET A 57 -5.268 -10.851 4.521 1.00 1.00 H new ATOM 0 HE2 MET A 57 -6.493 -11.335 3.325 1.00 1.00 H new ATOM 0 HE3 MET A 57 -4.828 -11.952 3.195 1.00 1.00 H new ATOM 912 N GLU A 58 -5.103 -13.440 0.040 1.00 1.00 N ATOM 913 CA GLU A 58 -4.446 -14.648 0.498 1.00 1.00 C ATOM 914 C GLU A 58 -2.981 -14.630 0.063 1.00 1.00 C ATOM 915 O GLU A 58 -2.096 -15.044 0.816 1.00 1.00 O ATOM 916 CB GLU A 58 -5.226 -15.861 -0.081 1.00 1.00 C ATOM 917 CG GLU A 58 -4.328 -16.808 -0.879 1.00 1.00 C ATOM 918 CD GLU A 58 -5.124 -18.032 -1.320 1.00 1.00 C ATOM 919 OE1 GLU A 58 -6.282 -18.126 -0.946 1.00 1.00 O ATOM 920 OE2 GLU A 58 -4.565 -18.858 -2.023 1.00 1.00 O ATOM 0 H GLU A 58 -5.907 -13.605 -0.566 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.450 -14.720 1.586 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.694 -16.411 0.735 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -6.029 -15.499 -0.723 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -3.925 -16.292 -1.751 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -3.478 -17.116 -0.270 1.00 1.00 H new ATOM 927 N GLU A 59 -2.730 -14.148 -1.150 1.00 1.00 N ATOM 928 CA GLU A 59 -1.360 -14.079 -1.656 1.00 1.00 C ATOM 929 C GLU A 59 -0.565 -13.084 -0.825 1.00 1.00 C ATOM 930 O GLU A 59 0.585 -13.328 -0.473 1.00 1.00 O ATOM 931 CB GLU A 59 -1.332 -13.612 -3.120 1.00 1.00 C ATOM 932 CG GLU A 59 -2.362 -14.391 -3.980 1.00 1.00 C ATOM 933 CD GLU A 59 -1.683 -15.529 -4.741 1.00 1.00 C ATOM 934 OE1 GLU A 59 -0.901 -16.240 -4.128 1.00 1.00 O ATOM 935 OE2 GLU A 59 -1.952 -15.670 -5.923 1.00 1.00 O ATOM 0 H GLU A 59 -3.443 -13.804 -1.793 1.00 1.00 H new ATOM 0 HA GLU A 59 -0.926 -15.077 -1.590 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -1.548 -12.545 -3.168 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.332 -13.753 -3.530 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -3.147 -14.793 -3.340 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -2.842 -13.712 -4.685 1.00 1.00 H new ATOM 942 N VAL A 60 -1.195 -11.955 -0.524 1.00 1.00 N ATOM 943 CA VAL A 60 -0.551 -10.909 0.259 1.00 1.00 C ATOM 944 C VAL A 60 -0.227 -11.396 1.670 1.00 1.00 C ATOM 945 O VAL A 60 0.889 -11.220 2.156 1.00 1.00 O ATOM 946 CB VAL A 60 -1.488 -9.698 0.316 1.00 1.00 C ATOM 947 CG1 VAL A 60 -0.959 -8.648 1.292 1.00 1.00 C ATOM 948 CG2 VAL A 60 -1.580 -9.074 -1.074 1.00 1.00 C ATOM 0 H VAL A 60 -2.150 -11.741 -0.810 1.00 1.00 H new ATOM 0 HA VAL A 60 0.391 -10.633 -0.215 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.469 -10.032 0.654 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -1.640 -7.798 1.316 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.886 -9.082 2.289 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.027 -8.314 0.968 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -2.245 -8.211 -1.042 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -0.589 -8.756 -1.396 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -1.972 -9.809 -1.777 1.00 1.00 H new ATOM 958 N LYS A 61 -1.203 -12.016 2.319 1.00 1.00 N ATOM 959 CA LYS A 61 -1.000 -12.528 3.670 1.00 1.00 C ATOM 960 C LYS A 61 0.063 -13.620 3.676 1.00 1.00 C ATOM 961 O LYS A 61 0.938 -13.648 4.542 1.00 1.00 O ATOM 962 CB LYS A 61 -2.316 -13.075 4.222 1.00 1.00 C ATOM 963 CG LYS A 61 -2.107 -13.560 5.659 1.00 1.00 C ATOM 964 CD LYS A 61 -3.449 -13.990 6.271 1.00 1.00 C ATOM 965 CE LYS A 61 -3.911 -15.316 5.658 1.00 1.00 C ATOM 966 NZ LYS A 61 -4.973 -15.911 6.518 1.00 1.00 N ATOM 0 H LYS A 61 -2.135 -12.176 1.938 1.00 1.00 H new ATOM 0 HA LYS A 61 -0.658 -11.710 4.304 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -3.083 -12.301 4.197 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -2.671 -13.896 3.598 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -1.408 -14.397 5.671 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -1.663 -12.765 6.258 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.347 -14.097 7.351 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.200 -13.219 6.096 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -4.293 -15.151 4.650 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -3.069 -16.003 5.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -5.290 -16.812 6.105 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -4.593 -16.081 7.471 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -5.778 -15.256 6.578 1.00 1.00 H new ATOM 980 N ALA A 62 -0.015 -14.527 2.711 1.00 1.00 N ATOM 981 CA ALA A 62 0.950 -15.620 2.626 1.00 1.00 C ATOM 982 C ALA A 62 2.274 -15.135 2.047 1.00 1.00 C ATOM 983 O ALA A 62 3.274 -15.853 2.076 1.00 1.00 O ATOM 984 CB ALA A 62 0.388 -16.745 1.756 1.00 1.00 C ATOM 0 H ALA A 62 -0.728 -14.530 1.982 1.00 1.00 H new ATOM 0 HA ALA A 62 1.131 -15.994 3.634 1.00 1.00 H new ATOM 0 HB1 ALA A 62 1.113 -17.557 1.697 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -0.538 -17.117 2.195 1.00 1.00 H new ATOM 0 HB3 ALA A 62 0.187 -16.365 0.754 1.00 1.00 H new ATOM 990 N ALA A 63 2.280 -13.913 1.517 1.00 1.00 N ATOM 991 CA ALA A 63 3.496 -13.349 0.933 1.00 1.00 C ATOM 992 C ALA A 63 4.242 -12.525 1.970 1.00 1.00 C ATOM 993 O ALA A 63 5.320 -12.004 1.696 1.00 1.00 O ATOM 994 CB ALA A 63 3.158 -12.465 -0.265 1.00 1.00 C ATOM 0 H ALA A 63 1.466 -13.300 1.480 1.00 1.00 H new ATOM 0 HA ALA A 63 4.126 -14.173 0.600 1.00 1.00 H new ATOM 0 HB1 ALA A 63 4.076 -12.055 -0.685 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.646 -13.059 -1.022 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.510 -11.649 0.056 1.00 1.00 H new ATOM 1000 N ASN A 64 3.661 -12.413 3.159 1.00 1.00 N ATOM 1001 CA ASN A 64 4.290 -11.649 4.226 1.00 1.00 C ATOM 1002 C ASN A 64 4.541 -10.204 3.798 1.00 1.00 C ATOM 1003 O ASN A 64 5.666 -9.712 3.867 1.00 1.00 O ATOM 1004 CB ASN A 64 5.613 -12.326 4.647 1.00 1.00 C ATOM 1005 CG ASN A 64 5.354 -13.454 5.651 1.00 1.00 C ATOM 1006 OD1 ASN A 64 6.060 -14.463 5.646 1.00 1.00 O ATOM 1007 ND2 ASN A 64 4.395 -13.336 6.529 1.00 1.00 N ATOM 0 H ASN A 64 2.766 -12.836 3.405 1.00 1.00 H new ATOM 0 HA ASN A 64 3.612 -11.629 5.079 1.00 1.00 H new ATOM 0 HB2 ASN A 64 6.118 -12.725 3.767 1.00 1.00 H new ATOM 0 HB3 ASN A 64 6.280 -11.586 5.089 1.00 1.00 H new ATOM 0 HD21 ASN A 64 4.232 -14.079 7.209 1.00 1.00 H new ATOM 0 HD22 ASN A 64 3.809 -12.501 6.535 1.00 1.00 H new ATOM 1014 N VAL A 65 3.476 -9.516 3.381 1.00 1.00 N ATOM 1015 CA VAL A 65 3.578 -8.114 2.977 1.00 1.00 C ATOM 1016 C VAL A 65 2.583 -7.288 3.780 1.00 1.00 C ATOM 1017 O VAL A 65 1.391 -7.584 3.793 1.00 1.00 O ATOM 1018 CB VAL A 65 3.260 -7.991 1.483 1.00 1.00 C ATOM 1019 CG1 VAL A 65 3.120 -6.519 1.088 1.00 1.00 C ATOM 1020 CG2 VAL A 65 4.387 -8.636 0.700 1.00 1.00 C ATOM 0 H VAL A 65 2.536 -9.906 3.315 1.00 1.00 H new ATOM 0 HA VAL A 65 4.588 -7.750 3.163 1.00 1.00 H new ATOM 0 HB VAL A 65 2.317 -8.492 1.263 1.00 1.00 H new ATOM 0 HG11 VAL A 65 2.894 -6.448 0.024 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.313 -6.064 1.662 1.00 1.00 H new ATOM 0 HG13 VAL A 65 4.053 -5.996 1.297 1.00 1.00 H new ATOM 0 HG21 VAL A 65 4.179 -8.559 -0.367 1.00 1.00 H new ATOM 0 HG22 VAL A 65 5.324 -8.127 0.925 1.00 1.00 H new ATOM 0 HG23 VAL A 65 4.469 -9.687 0.979 1.00 1.00 H new ATOM 1030 N ARG A 66 3.074 -6.246 4.435 1.00 1.00 N ATOM 1031 CA ARG A 66 2.200 -5.389 5.220 1.00 1.00 C ATOM 1032 C ARG A 66 1.223 -4.701 4.277 1.00 1.00 C ATOM 1033 O ARG A 66 1.517 -4.501 3.099 1.00 1.00 O ATOM 1034 CB ARG A 66 3.017 -4.354 5.992 1.00 1.00 C ATOM 1035 CG ARG A 66 2.134 -3.674 7.045 1.00 1.00 C ATOM 1036 CD ARG A 66 2.909 -2.532 7.705 1.00 1.00 C ATOM 1037 NE ARG A 66 4.079 -3.042 8.410 1.00 1.00 N ATOM 1038 CZ ARG A 66 3.957 -3.716 9.549 1.00 1.00 C ATOM 1039 NH1 ARG A 66 2.771 -3.932 10.050 1.00 1.00 N ATOM 1040 NH2 ARG A 66 5.020 -4.155 10.165 1.00 1.00 N ATOM 0 H ARG A 66 4.058 -5.977 4.439 1.00 1.00 H new ATOM 0 HA ARG A 66 1.652 -5.989 5.946 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.868 -4.835 6.474 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.419 -3.609 5.305 1.00 1.00 H new ATOM 0 HG2 ARG A 66 1.226 -3.290 6.580 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.824 -4.399 7.797 1.00 1.00 H new ATOM 0 HD2 ARG A 66 3.220 -1.812 6.948 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.261 -2.002 8.402 1.00 1.00 H new ATOM 0 HE ARG A 66 5.008 -2.879 8.022 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.942 -3.584 9.568 1.00 1.00 H new ATOM 0 HH12 ARG A 66 2.673 -4.449 10.924 1.00 1.00 H new ATOM 0 HH21 ARG A 66 5.945 -3.981 9.773 1.00 1.00 H new ATOM 0 HH22 ARG A 66 4.926 -4.672 11.039 1.00 1.00 H new ATOM 1054 N VAL A 67 0.047 -4.378 4.793 1.00 1.00 N ATOM 1055 CA VAL A 67 -1.004 -3.760 3.988 1.00 1.00 C ATOM 1056 C VAL A 67 -1.343 -2.367 4.502 1.00 1.00 C ATOM 1057 O VAL A 67 -1.569 -2.172 5.694 1.00 1.00 O ATOM 1058 CB VAL A 67 -2.251 -4.635 4.073 1.00 1.00 C ATOM 1059 CG1 VAL A 67 -3.347 -4.062 3.178 1.00 1.00 C ATOM 1060 CG2 VAL A 67 -1.906 -6.050 3.621 1.00 1.00 C ATOM 0 H VAL A 67 -0.207 -4.533 5.769 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.655 -3.671 2.959 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.608 -4.658 5.103 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -4.235 -4.691 3.242 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.593 -3.052 3.505 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -2.997 -4.034 2.146 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.795 -6.678 3.681 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.547 -6.026 2.592 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.129 -6.459 4.267 1.00 1.00 H new ATOM 1070 N VAL A 68 -1.403 -1.407 3.580 1.00 1.00 N ATOM 1071 CA VAL A 68 -1.747 -0.028 3.926 1.00 1.00 C ATOM 1072 C VAL A 68 -2.757 0.496 2.916 1.00 1.00 C ATOM 1073 O VAL A 68 -2.842 -0.013 1.798 1.00 1.00 O ATOM 1074 CB VAL A 68 -0.494 0.852 3.906 1.00 1.00 C ATOM 1075 CG1 VAL A 68 0.515 0.336 4.937 1.00 1.00 C ATOM 1076 CG2 VAL A 68 0.136 0.817 2.509 1.00 1.00 C ATOM 0 H VAL A 68 -1.218 -1.558 2.588 1.00 1.00 H new ATOM 0 HA VAL A 68 -2.175 -0.002 4.928 1.00 1.00 H new ATOM 0 HB VAL A 68 -0.770 1.877 4.153 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.406 0.964 4.920 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.068 0.367 5.931 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.790 -0.690 4.694 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.028 1.444 2.496 1.00 1.00 H new ATOM 0 HG22 VAL A 68 0.409 -0.208 2.259 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -0.580 1.190 1.777 1.00 1.00 H new ATOM 1086 N CYS A 69 -3.517 1.514 3.306 1.00 1.00 N ATOM 1087 CA CYS A 69 -4.510 2.090 2.410 1.00 1.00 C ATOM 1088 C CYS A 69 -3.819 3.025 1.419 1.00 1.00 C ATOM 1089 O CYS A 69 -2.726 3.521 1.677 1.00 1.00 O ATOM 1090 CB CYS A 69 -5.596 2.820 3.221 1.00 1.00 C ATOM 1091 SG CYS A 69 -6.408 4.080 2.202 1.00 1.00 S ATOM 0 H CYS A 69 -3.465 1.952 4.226 1.00 1.00 H new ATOM 0 HA CYS A 69 -5.001 1.298 1.844 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -6.334 2.103 3.580 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -5.151 3.286 4.100 1.00 1.00 H new ATOM 0 HG CYS A 69 -6.740 5.093 2.947 1.00 1.00 H new ATOM 1097 N GLU A 70 -4.453 3.219 0.270 1.00 1.00 N ATOM 1098 CA GLU A 70 -3.884 4.050 -0.780 1.00 1.00 C ATOM 1099 C GLU A 70 -3.691 5.479 -0.295 1.00 1.00 C ATOM 1100 O GLU A 70 -2.741 6.156 -0.685 1.00 1.00 O ATOM 1101 CB GLU A 70 -4.802 4.025 -1.998 1.00 1.00 C ATOM 1102 CG GLU A 70 -4.136 4.761 -3.156 1.00 1.00 C ATOM 1103 CD GLU A 70 -5.028 4.687 -4.388 1.00 1.00 C ATOM 1104 OE1 GLU A 70 -6.184 4.338 -4.234 1.00 1.00 O ATOM 1105 OE2 GLU A 70 -4.540 4.970 -5.466 1.00 1.00 O ATOM 0 H GLU A 70 -5.360 2.812 0.043 1.00 1.00 H new ATOM 0 HA GLU A 70 -2.906 3.653 -1.053 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.016 2.995 -2.284 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -5.756 4.494 -1.757 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -3.959 5.802 -2.885 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.164 4.318 -3.371 1.00 1.00 H new ATOM 1112 N ASP A 71 -4.597 5.936 0.562 1.00 1.00 N ATOM 1113 CA ASP A 71 -4.511 7.287 1.101 1.00 1.00 C ATOM 1114 C ASP A 71 -3.099 7.529 1.624 1.00 1.00 C ATOM 1115 O ASP A 71 -2.694 8.667 1.855 1.00 1.00 O ATOM 1116 CB ASP A 71 -5.521 7.450 2.240 1.00 1.00 C ATOM 1117 CG ASP A 71 -6.940 7.421 1.684 1.00 1.00 C ATOM 1118 OD1 ASP A 71 -7.183 8.094 0.695 1.00 1.00 O ATOM 1119 OD2 ASP A 71 -7.759 6.716 2.249 1.00 1.00 O ATOM 0 H ASP A 71 -5.394 5.395 0.896 1.00 1.00 H new ATOM 0 HA ASP A 71 -4.737 8.010 0.318 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -5.391 6.651 2.970 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -5.345 8.391 2.762 1.00 1.00 H new ATOM 1124 N PHE A 72 -2.350 6.438 1.768 1.00 1.00 N ATOM 1125 CA PHE A 72 -0.969 6.512 2.214 1.00 1.00 C ATOM 1126 C PHE A 72 -0.180 7.355 1.232 1.00 1.00 C ATOM 1127 O PHE A 72 0.655 8.169 1.629 1.00 1.00 O ATOM 1128 CB PHE A 72 -0.357 5.112 2.325 1.00 1.00 C ATOM 1129 CG PHE A 72 1.145 5.181 2.580 1.00 1.00 C ATOM 1130 CD1 PHE A 72 1.700 6.090 3.512 1.00 1.00 C ATOM 1131 CD2 PHE A 72 1.994 4.299 1.894 1.00 1.00 C ATOM 1132 CE1 PHE A 72 3.085 6.107 3.733 1.00 1.00 C ATOM 1133 CE2 PHE A 72 3.374 4.320 2.125 1.00 1.00 C ATOM 1134 CZ PHE A 72 3.918 5.222 3.045 1.00 1.00 C ATOM 0 H PHE A 72 -2.681 5.492 1.581 1.00 1.00 H new ATOM 0 HA PHE A 72 -0.935 6.970 3.203 1.00 1.00 H new ATOM 0 HB2 PHE A 72 -0.840 4.565 3.134 1.00 1.00 H new ATOM 0 HB3 PHE A 72 -0.547 4.556 1.407 1.00 1.00 H new ATOM 0 HD1 PHE A 72 1.058 6.770 4.052 1.00 1.00 H new ATOM 0 HD2 PHE A 72 1.580 3.599 1.183 1.00 1.00 H new ATOM 0 HE1 PHE A 72 3.509 6.807 4.438 1.00 1.00 H new ATOM 0 HE2 PHE A 72 4.020 3.638 1.592 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.983 5.234 3.224 1.00 1.00 H new ATOM 1144 N LEU A 73 -0.457 7.155 -0.056 1.00 1.00 N ATOM 1145 CA LEU A 73 0.226 7.907 -1.093 1.00 1.00 C ATOM 1146 C LEU A 73 -0.037 9.390 -0.885 1.00 1.00 C ATOM 1147 O LEU A 73 0.868 10.215 -1.010 1.00 1.00 O ATOM 1148 CB LEU A 73 -0.312 7.509 -2.475 1.00 1.00 C ATOM 1149 CG LEU A 73 0.062 6.057 -2.833 1.00 1.00 C ATOM 1150 CD1 LEU A 73 -0.587 5.684 -4.175 1.00 1.00 C ATOM 1151 CD2 LEU A 73 1.587 5.920 -2.936 1.00 1.00 C ATOM 0 H LEU A 73 -1.144 6.484 -0.398 1.00 1.00 H new ATOM 0 HA LEU A 73 1.294 7.694 -1.040 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.396 7.620 -2.490 1.00 1.00 H new ATOM 0 HB3 LEU A 73 0.088 8.185 -3.230 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.300 5.386 -2.054 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.325 4.658 -4.433 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.670 5.773 -4.092 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.226 6.357 -4.953 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.844 4.891 -3.189 1.00 1.00 H new ATOM 0 HD22 LEU A 73 1.961 6.589 -3.711 1.00 1.00 H new ATOM 0 HD23 LEU A 73 2.041 6.183 -1.981 1.00 1.00 H new ATOM 1163 N GLN A 74 -1.280 9.724 -0.558 1.00 1.00 N ATOM 1164 CA GLN A 74 -1.650 11.112 -0.322 1.00 1.00 C ATOM 1165 C GLN A 74 -0.942 11.644 0.916 1.00 1.00 C ATOM 1166 O GLN A 74 -0.532 12.797 0.966 1.00 1.00 O ATOM 1167 CB GLN A 74 -3.163 11.229 -0.099 1.00 1.00 C ATOM 1168 CG GLN A 74 -3.916 10.727 -1.329 1.00 1.00 C ATOM 1169 CD GLN A 74 -3.562 11.582 -2.540 1.00 1.00 C ATOM 1170 OE1 GLN A 74 -3.757 12.797 -2.524 1.00 1.00 O ATOM 1171 NE2 GLN A 74 -3.038 11.015 -3.584 1.00 1.00 N ATOM 0 H GLN A 74 -2.044 9.056 -0.451 1.00 1.00 H new ATOM 0 HA GLN A 74 -1.357 11.692 -1.197 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -3.455 10.650 0.777 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -3.430 12.267 0.102 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -3.661 9.685 -1.522 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -4.990 10.764 -1.148 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -2.879 10.008 -3.591 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -2.786 11.577 -4.397 1.00 1.00 H new ATOM 1180 N ASP A 75 -0.844 10.791 1.928 1.00 1.00 N ATOM 1181 CA ASP A 75 -0.227 11.178 3.196 1.00 1.00 C ATOM 1182 C ASP A 75 1.245 11.560 3.038 1.00 1.00 C ATOM 1183 O ASP A 75 1.668 12.602 3.529 1.00 1.00 O ATOM 1184 CB ASP A 75 -0.358 10.028 4.192 1.00 1.00 C ATOM 1185 CG ASP A 75 -1.814 9.886 4.632 1.00 1.00 C ATOM 1186 OD1 ASP A 75 -2.573 10.814 4.408 1.00 1.00 O ATOM 1187 OD2 ASP A 75 -2.145 8.854 5.183 1.00 1.00 O ATOM 0 H ASP A 75 -1.182 9.829 1.898 1.00 1.00 H new ATOM 0 HA ASP A 75 -0.750 12.061 3.562 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -0.014 9.099 3.736 1.00 1.00 H new ATOM 0 HB3 ASP A 75 0.277 10.212 5.059 1.00 1.00 H new ATOM 1192 N VAL A 76 2.028 10.732 2.353 1.00 1.00 N ATOM 1193 CA VAL A 76 3.441 11.056 2.152 1.00 1.00 C ATOM 1194 C VAL A 76 3.565 12.227 1.201 1.00 1.00 C ATOM 1195 O VAL A 76 4.419 13.098 1.356 1.00 1.00 O ATOM 1196 CB VAL A 76 4.221 9.865 1.589 1.00 1.00 C ATOM 1197 CG1 VAL A 76 4.297 8.766 2.638 1.00 1.00 C ATOM 1198 CG2 VAL A 76 3.526 9.328 0.335 1.00 1.00 C ATOM 0 H VAL A 76 1.721 9.853 1.936 1.00 1.00 H new ATOM 0 HA VAL A 76 3.864 11.311 3.124 1.00 1.00 H new ATOM 0 HB VAL A 76 5.228 10.190 1.326 1.00 1.00 H new ATOM 0 HG11 VAL A 76 4.852 7.918 2.237 1.00 1.00 H new ATOM 0 HG12 VAL A 76 4.804 9.145 3.526 1.00 1.00 H new ATOM 0 HG13 VAL A 76 3.289 8.447 2.904 1.00 1.00 H new ATOM 0 HG21 VAL A 76 4.088 8.481 -0.058 1.00 1.00 H new ATOM 0 HG22 VAL A 76 2.516 9.007 0.588 1.00 1.00 H new ATOM 0 HG23 VAL A 76 3.478 10.113 -0.419 1.00 1.00 H new ATOM 1208 N SER A 77 2.690 12.225 0.209 1.00 1.00 N ATOM 1209 CA SER A 77 2.685 13.288 -0.793 1.00 1.00 C ATOM 1210 C SER A 77 2.389 14.642 -0.142 1.00 1.00 C ATOM 1211 O SER A 77 3.023 15.646 -0.456 1.00 1.00 O ATOM 1212 CB SER A 77 1.639 12.999 -1.869 1.00 1.00 C ATOM 1213 OG SER A 77 1.699 14.025 -2.853 1.00 1.00 O ATOM 0 H SER A 77 1.978 11.507 0.073 1.00 1.00 H new ATOM 0 HA SER A 77 3.673 13.325 -1.253 1.00 1.00 H new ATOM 0 HB2 SER A 77 1.825 12.027 -2.325 1.00 1.00 H new ATOM 0 HB3 SER A 77 0.644 12.958 -1.427 1.00 1.00 H new ATOM 0 HG SER A 77 1.033 13.849 -3.550 1.00 1.00 H new ATOM 1219 N ALA A 78 1.413 14.658 0.760 1.00 1.00 N ATOM 1220 CA ALA A 78 1.031 15.892 1.444 1.00 1.00 C ATOM 1221 C ALA A 78 1.953 16.169 2.630 1.00 1.00 C ATOM 1222 O ALA A 78 2.655 17.180 2.661 1.00 1.00 O ATOM 1223 CB ALA A 78 -0.414 15.787 1.940 1.00 1.00 C ATOM 0 H ALA A 78 0.874 13.837 1.034 1.00 1.00 H new ATOM 0 HA ALA A 78 1.119 16.714 0.733 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -0.692 16.710 2.449 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -1.079 15.626 1.092 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -0.501 14.950 2.633 1.00 1.00 H new ATOM 1229 N SER A 79 1.930 15.267 3.612 1.00 1.00 N ATOM 1230 CA SER A 79 2.749 15.414 4.816 1.00 1.00 C ATOM 1231 C SER A 79 3.928 14.451 4.805 1.00 1.00 C ATOM 1232 O SER A 79 3.746 13.239 4.676 1.00 1.00 O ATOM 1233 CB SER A 79 1.897 15.135 6.057 1.00 1.00 C ATOM 1234 OG SER A 79 2.569 15.628 7.210 1.00 1.00 O ATOM 0 H SER A 79 1.353 14.426 3.597 1.00 1.00 H new ATOM 0 HA SER A 79 3.130 16.435 4.838 1.00 1.00 H new ATOM 0 HB2 SER A 79 0.922 15.613 5.958 1.00 1.00 H new ATOM 0 HB3 SER A 79 1.718 14.064 6.156 1.00 1.00 H new ATOM 0 HG SER A 79 2.025 15.452 8.006 1.00 1.00 H new ATOM 1240 N ALA A 80 5.137 14.992 4.955 1.00 1.00 N ATOM 1241 CA ALA A 80 6.347 14.170 4.981 1.00 1.00 C ATOM 1242 C ALA A 80 6.900 14.105 6.397 1.00 1.00 C ATOM 1243 O ALA A 80 7.958 14.666 6.684 1.00 1.00 O ATOM 1244 CB ALA A 80 7.410 14.755 4.047 1.00 1.00 C ATOM 0 H ALA A 80 5.305 15.993 5.060 1.00 1.00 H new ATOM 0 HA ALA A 80 6.090 13.166 4.644 1.00 1.00 H new ATOM 0 HB1 ALA A 80 8.304 14.132 4.078 1.00 1.00 H new ATOM 0 HB2 ALA A 80 7.023 14.784 3.028 1.00 1.00 H new ATOM 0 HB3 ALA A 80 7.661 15.766 4.369 1.00 1.00 H new ATOM 1250 N LYS A 81 6.178 13.420 7.284 1.00 1.00 N ATOM 1251 CA LYS A 81 6.603 13.286 8.677 1.00 1.00 C ATOM 1252 C LYS A 81 7.196 11.903 8.926 1.00 1.00 C ATOM 1253 O LYS A 81 7.746 11.284 8.014 1.00 1.00 O ATOM 1254 CB LYS A 81 5.429 13.560 9.622 1.00 1.00 C ATOM 1255 CG LYS A 81 4.305 12.555 9.396 1.00 1.00 C ATOM 1256 CD LYS A 81 3.163 12.865 10.366 1.00 1.00 C ATOM 1257 CE LYS A 81 2.032 11.863 10.152 1.00 1.00 C ATOM 1258 NZ LYS A 81 2.503 10.500 10.535 1.00 1.00 N ATOM 0 H LYS A 81 5.299 12.951 7.064 1.00 1.00 H new ATOM 0 HA LYS A 81 7.379 14.025 8.877 1.00 1.00 H new ATOM 0 HB2 LYS A 81 5.769 13.506 10.656 1.00 1.00 H new ATOM 0 HB3 LYS A 81 5.056 14.572 9.462 1.00 1.00 H new ATOM 0 HG2 LYS A 81 3.951 12.610 8.367 1.00 1.00 H new ATOM 0 HG3 LYS A 81 4.669 11.540 9.554 1.00 1.00 H new ATOM 0 HD2 LYS A 81 3.520 12.813 11.394 1.00 1.00 H new ATOM 0 HD3 LYS A 81 2.800 13.880 10.205 1.00 1.00 H new ATOM 0 HE2 LYS A 81 1.165 12.142 10.750 1.00 1.00 H new ATOM 0 HE3 LYS A 81 1.716 11.871 9.109 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 1.683 9.874 10.669 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 3.110 10.118 9.782 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 3.044 10.556 11.421 1.00 1.00 H new ATOM 1272 N SER A 82 7.119 11.438 10.161 1.00 1.00 N ATOM 1273 CA SER A 82 7.696 10.138 10.510 1.00 1.00 C ATOM 1274 C SER A 82 7.008 9.005 9.762 1.00 1.00 C ATOM 1275 O SER A 82 5.782 8.929 9.714 1.00 1.00 O ATOM 1276 CB SER A 82 7.586 9.902 12.017 1.00 1.00 C ATOM 1277 OG SER A 82 8.062 8.599 12.330 1.00 1.00 O ATOM 0 H SER A 82 6.670 11.929 10.934 1.00 1.00 H new ATOM 0 HA SER A 82 8.746 10.151 10.218 1.00 1.00 H new ATOM 0 HB2 SER A 82 8.165 10.651 12.556 1.00 1.00 H new ATOM 0 HB3 SER A 82 6.550 10.009 12.338 1.00 1.00 H new ATOM 0 HG SER A 82 7.993 8.449 13.296 1.00 1.00 H new ATOM 1283 N LEU A 83 7.825 8.129 9.184 1.00 1.00 N ATOM 1284 CA LEU A 83 7.332 6.987 8.430 1.00 1.00 C ATOM 1285 C LEU A 83 6.583 6.060 9.368 1.00 1.00 C ATOM 1286 O LEU A 83 5.527 5.518 9.042 1.00 1.00 O ATOM 1287 CB LEU A 83 8.529 6.227 7.876 1.00 1.00 C ATOM 1288 CG LEU A 83 9.345 7.126 6.943 1.00 1.00 C ATOM 1289 CD1 LEU A 83 10.696 6.463 6.692 1.00 1.00 C ATOM 1290 CD2 LEU A 83 8.628 7.333 5.603 1.00 1.00 C ATOM 0 H LEU A 83 8.842 8.192 9.226 1.00 1.00 H new ATOM 0 HA LEU A 83 6.676 7.325 7.627 1.00 1.00 H new ATOM 0 HB2 LEU A 83 9.157 5.877 8.695 1.00 1.00 H new ATOM 0 HB3 LEU A 83 8.189 5.344 7.335 1.00 1.00 H new ATOM 0 HG LEU A 83 9.471 8.101 7.414 1.00 1.00 H new ATOM 0 HD11 LEU A 83 11.291 7.090 6.028 1.00 1.00 H new ATOM 0 HD12 LEU A 83 11.221 6.336 7.639 1.00 1.00 H new ATOM 0 HD13 LEU A 83 10.543 5.488 6.229 1.00 1.00 H new ATOM 0 HD21 LEU A 83 9.232 7.975 4.962 1.00 1.00 H new ATOM 0 HD22 LEU A 83 8.482 6.369 5.116 1.00 1.00 H new ATOM 0 HD23 LEU A 83 7.660 7.802 5.777 1.00 1.00 H new ATOM 1302 N GLN A 84 7.190 5.880 10.537 1.00 1.00 N ATOM 1303 CA GLN A 84 6.660 5.009 11.577 1.00 1.00 C ATOM 1304 C GLN A 84 5.265 5.448 11.998 1.00 1.00 C ATOM 1305 O GLN A 84 4.374 4.623 12.193 1.00 1.00 O ATOM 1306 CB GLN A 84 7.606 5.075 12.786 1.00 1.00 C ATOM 1307 CG GLN A 84 8.798 4.144 12.565 1.00 1.00 C ATOM 1308 CD GLN A 84 9.410 4.387 11.188 1.00 1.00 C ATOM 1309 OE1 GLN A 84 9.992 5.443 10.946 1.00 1.00 O ATOM 1310 NE2 GLN A 84 9.316 3.465 10.267 1.00 1.00 N ATOM 0 H GLN A 84 8.067 6.337 10.789 1.00 1.00 H new ATOM 0 HA GLN A 84 6.591 3.991 11.194 1.00 1.00 H new ATOM 0 HB2 GLN A 84 7.954 6.098 12.931 1.00 1.00 H new ATOM 0 HB3 GLN A 84 7.073 4.788 13.692 1.00 1.00 H new ATOM 0 HG2 GLN A 84 9.547 4.311 13.339 1.00 1.00 H new ATOM 0 HG3 GLN A 84 8.478 3.106 12.650 1.00 1.00 H new ATOM 0 HE21 GLN A 84 8.833 2.590 10.469 1.00 1.00 H new ATOM 0 HE22 GLN A 84 9.726 3.621 9.346 1.00 1.00 H new ATOM 1319 N GLU A 85 5.085 6.747 12.140 1.00 1.00 N ATOM 1320 CA GLU A 85 3.792 7.276 12.540 1.00 1.00 C ATOM 1321 C GLU A 85 2.765 7.020 11.440 1.00 1.00 C ATOM 1322 O GLU A 85 1.609 6.715 11.719 1.00 1.00 O ATOM 1323 CB GLU A 85 3.895 8.774 12.828 1.00 1.00 C ATOM 1324 CG GLU A 85 2.543 9.284 13.333 1.00 1.00 C ATOM 1325 CD GLU A 85 2.646 10.755 13.724 1.00 1.00 C ATOM 1326 OE1 GLU A 85 3.634 11.373 13.370 1.00 1.00 O ATOM 1327 OE2 GLU A 85 1.731 11.237 14.371 1.00 1.00 O ATOM 0 H GLU A 85 5.808 7.450 11.987 1.00 1.00 H new ATOM 0 HA GLU A 85 3.471 6.771 13.451 1.00 1.00 H new ATOM 0 HB2 GLU A 85 4.669 8.961 13.573 1.00 1.00 H new ATOM 0 HB3 GLU A 85 4.185 9.311 11.925 1.00 1.00 H new ATOM 0 HG2 GLU A 85 1.787 9.158 12.558 1.00 1.00 H new ATOM 0 HG3 GLU A 85 2.221 8.694 14.191 1.00 1.00 H new ATOM 1334 N LEU A 86 3.185 7.161 10.186 1.00 1.00 N ATOM 1335 CA LEU A 86 2.267 6.950 9.075 1.00 1.00 C ATOM 1336 C LEU A 86 1.782 5.505 9.002 1.00 1.00 C ATOM 1337 O LEU A 86 0.597 5.265 8.793 1.00 1.00 O ATOM 1338 CB LEU A 86 2.947 7.313 7.745 1.00 1.00 C ATOM 1339 CG LEU A 86 3.225 8.826 7.671 1.00 1.00 C ATOM 1340 CD1 LEU A 86 4.107 9.119 6.453 1.00 1.00 C ATOM 1341 CD2 LEU A 86 1.911 9.608 7.548 1.00 1.00 C ATOM 0 H LEU A 86 4.136 7.415 9.918 1.00 1.00 H new ATOM 0 HA LEU A 86 1.406 7.596 9.246 1.00 1.00 H new ATOM 0 HB2 LEU A 86 3.882 6.761 7.646 1.00 1.00 H new ATOM 0 HB3 LEU A 86 2.311 7.014 6.912 1.00 1.00 H new ATOM 0 HG LEU A 86 3.734 9.136 8.583 1.00 1.00 H new ATOM 0 HD11 LEU A 86 4.306 10.189 6.397 1.00 1.00 H new ATOM 0 HD12 LEU A 86 5.049 8.579 6.548 1.00 1.00 H new ATOM 0 HD13 LEU A 86 3.594 8.797 5.547 1.00 1.00 H new ATOM 0 HD21 LEU A 86 2.126 10.675 7.497 1.00 1.00 H new ATOM 0 HD22 LEU A 86 1.387 9.300 6.643 1.00 1.00 H new ATOM 0 HD23 LEU A 86 1.284 9.405 8.417 1.00 1.00 H new ATOM 1353 N LEU A 87 2.690 4.543 9.168 1.00 1.00 N ATOM 1354 CA LEU A 87 2.306 3.133 9.088 1.00 1.00 C ATOM 1355 C LEU A 87 1.689 2.648 10.388 1.00 1.00 C ATOM 1356 O LEU A 87 1.033 1.614 10.409 1.00 1.00 O ATOM 1357 CB LEU A 87 3.516 2.261 8.703 1.00 1.00 C ATOM 1358 CG LEU A 87 4.589 2.252 9.827 1.00 1.00 C ATOM 1359 CD1 LEU A 87 4.388 1.064 10.788 1.00 1.00 C ATOM 1360 CD2 LEU A 87 5.988 2.153 9.198 1.00 1.00 C ATOM 0 H LEU A 87 3.679 4.709 9.355 1.00 1.00 H new ATOM 0 HA LEU A 87 1.549 3.041 8.309 1.00 1.00 H new ATOM 0 HB2 LEU A 87 3.184 1.242 8.507 1.00 1.00 H new ATOM 0 HB3 LEU A 87 3.957 2.636 7.780 1.00 1.00 H new ATOM 0 HG LEU A 87 4.489 3.177 10.395 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.155 1.088 11.562 1.00 1.00 H new ATOM 0 HD12 LEU A 87 3.404 1.133 11.251 1.00 1.00 H new ATOM 0 HD13 LEU A 87 4.463 0.130 10.232 1.00 1.00 H new ATOM 0 HD21 LEU A 87 6.741 2.147 9.986 1.00 1.00 H new ATOM 0 HD22 LEU A 87 6.062 1.233 8.618 1.00 1.00 H new ATOM 0 HD23 LEU A 87 6.154 3.009 8.544 1.00 1.00 H new ATOM 1372 N SER A 88 1.894 3.389 11.468 1.00 1.00 N ATOM 1373 CA SER A 88 1.333 2.991 12.749 1.00 1.00 C ATOM 1374 C SER A 88 -0.191 2.992 12.692 1.00 1.00 C ATOM 1375 O SER A 88 -0.842 2.110 13.247 1.00 1.00 O ATOM 1376 CB SER A 88 1.803 3.925 13.862 1.00 1.00 C ATOM 1377 OG SER A 88 1.421 5.260 13.557 1.00 1.00 O ATOM 0 H SER A 88 2.435 4.254 11.484 1.00 1.00 H new ATOM 0 HA SER A 88 1.681 1.981 12.965 1.00 1.00 H new ATOM 0 HB2 SER A 88 1.369 3.620 14.814 1.00 1.00 H new ATOM 0 HB3 SER A 88 2.886 3.862 13.971 1.00 1.00 H new ATOM 0 HG SER A 88 1.312 5.356 12.588 1.00 1.00 H new ATOM 1383 N ALA A 89 -0.758 3.999 12.025 1.00 1.00 N ATOM 1384 CA ALA A 89 -2.215 4.115 11.916 1.00 1.00 C ATOM 1385 C ALA A 89 -2.723 3.615 10.567 1.00 1.00 C ATOM 1386 O ALA A 89 -3.894 3.259 10.431 1.00 1.00 O ATOM 1387 CB ALA A 89 -2.619 5.577 12.108 1.00 1.00 C ATOM 0 H ALA A 89 -0.237 4.740 11.556 1.00 1.00 H new ATOM 0 HA ALA A 89 -2.664 3.493 12.690 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -3.702 5.669 12.028 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -2.298 5.917 13.093 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -2.145 6.189 11.341 1.00 1.00 H new ATOM 1393 N HIS A 90 -1.847 3.588 9.566 1.00 1.00 N ATOM 1394 CA HIS A 90 -2.246 3.130 8.233 1.00 1.00 C ATOM 1395 C HIS A 90 -2.025 1.629 8.082 1.00 1.00 C ATOM 1396 O HIS A 90 -2.483 1.029 7.117 1.00 1.00 O ATOM 1397 CB HIS A 90 -1.461 3.875 7.151 1.00 1.00 C ATOM 1398 CG HIS A 90 -1.855 5.325 7.169 1.00 1.00 C ATOM 1399 ND1 HIS A 90 -3.173 5.731 7.312 1.00 1.00 N ATOM 1400 CD2 HIS A 90 -1.114 6.478 7.089 1.00 1.00 C ATOM 1401 CE1 HIS A 90 -3.184 7.075 7.322 1.00 1.00 C ATOM 1402 NE2 HIS A 90 -1.955 7.582 7.188 1.00 1.00 N ATOM 0 H HIS A 90 -0.871 3.872 9.647 1.00 1.00 H new ATOM 0 HA HIS A 90 -3.309 3.341 8.114 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -0.390 3.774 7.327 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -1.666 3.442 6.172 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -0.042 6.521 6.968 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -4.078 7.673 7.426 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -1.690 8.567 7.164 1.00 1.00 H new ATOM 1411 N SER A 91 -1.316 1.024 9.032 1.00 1.00 N ATOM 1412 CA SER A 91 -1.053 -0.404 8.963 1.00 1.00 C ATOM 1413 C SER A 91 -2.330 -1.201 9.140 1.00 1.00 C ATOM 1414 O SER A 91 -2.747 -1.517 10.256 1.00 1.00 O ATOM 1415 CB SER A 91 -0.044 -0.818 10.025 1.00 1.00 C ATOM 1416 OG SER A 91 -0.307 -0.117 11.234 1.00 1.00 O ATOM 0 H SER A 91 -0.920 1.495 9.846 1.00 1.00 H new ATOM 0 HA SER A 91 -0.640 -0.615 7.977 1.00 1.00 H new ATOM 0 HB2 SER A 91 -0.102 -1.893 10.196 1.00 1.00 H new ATOM 0 HB3 SER A 91 0.968 -0.604 9.682 1.00 1.00 H new ATOM 0 HG SER A 91 0.396 0.549 11.385 1.00 1.00 H new ATOM 1422 N LEU A 92 -2.918 -1.536 8.023 1.00 1.00 N ATOM 1423 CA LEU A 92 -4.143 -2.316 8.008 1.00 1.00 C ATOM 1424 C LEU A 92 -3.864 -3.746 8.455 1.00 1.00 C ATOM 1425 O LEU A 92 -4.776 -4.468 8.861 1.00 1.00 O ATOM 1426 CB LEU A 92 -4.707 -2.347 6.593 1.00 1.00 C ATOM 1427 CG LEU A 92 -5.085 -0.931 6.160 1.00 1.00 C ATOM 1428 CD1 LEU A 92 -5.408 -0.950 4.660 1.00 1.00 C ATOM 1429 CD2 LEU A 92 -6.306 -0.407 6.966 1.00 1.00 C ATOM 0 H LEU A 92 -2.570 -1.281 7.099 1.00 1.00 H new ATOM 0 HA LEU A 92 -4.859 -1.856 8.690 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -3.970 -2.764 5.906 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -5.582 -2.996 6.554 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.249 -0.259 6.356 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -5.680 0.054 4.334 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -4.534 -1.288 4.104 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -6.240 -1.630 4.476 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -6.553 0.602 6.637 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -7.161 -1.062 6.799 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -6.062 -0.393 8.028 1.00 1.00 H new ATOM 1441 N SER A 93 -2.598 -4.158 8.343 1.00 1.00 N ATOM 1442 CA SER A 93 -2.202 -5.521 8.707 1.00 1.00 C ATOM 1443 C SER A 93 -1.045 -5.520 9.704 1.00 1.00 C ATOM 1444 O SER A 93 -0.279 -4.561 9.793 1.00 1.00 O ATOM 1445 CB SER A 93 -1.779 -6.289 7.456 1.00 1.00 C ATOM 1446 OG SER A 93 -2.901 -6.447 6.596 1.00 1.00 O ATOM 0 H SER A 93 -1.835 -3.572 8.006 1.00 1.00 H new ATOM 0 HA SER A 93 -3.062 -6.003 9.173 1.00 1.00 H new ATOM 0 HB2 SER A 93 -0.983 -5.753 6.939 1.00 1.00 H new ATOM 0 HB3 SER A 93 -1.379 -7.264 7.733 1.00 1.00 H new ATOM 0 HG SER A 93 -2.831 -7.301 6.121 1.00 1.00 H new ATOM 1452 N SER A 94 -0.937 -6.613 10.460 1.00 1.00 N ATOM 1453 CA SER A 94 0.115 -6.763 11.471 1.00 1.00 C ATOM 1454 C SER A 94 1.205 -7.723 10.990 1.00 1.00 C ATOM 1455 O SER A 94 1.908 -8.326 11.800 1.00 1.00 O ATOM 1456 CB SER A 94 -0.496 -7.300 12.764 1.00 1.00 C ATOM 1457 OG SER A 94 -1.226 -8.487 12.481 1.00 1.00 O ATOM 0 H SER A 94 -1.567 -7.412 10.392 1.00 1.00 H new ATOM 0 HA SER A 94 0.566 -5.786 11.646 1.00 1.00 H new ATOM 0 HB2 SER A 94 0.288 -7.507 13.492 1.00 1.00 H new ATOM 0 HB3 SER A 94 -1.153 -6.552 13.207 1.00 1.00 H new ATOM 0 HG SER A 94 -1.618 -8.835 13.309 1.00 1.00 H new ATOM 1463 N TRP A 95 1.337 -7.869 9.670 1.00 1.00 N ATOM 1464 CA TRP A 95 2.340 -8.769 9.091 1.00 1.00 C ATOM 1465 C TRP A 95 3.113 -8.070 7.980 1.00 1.00 C ATOM 1466 O TRP A 95 2.799 -6.945 7.613 1.00 1.00 O ATOM 1467 CB TRP A 95 1.650 -10.031 8.552 1.00 1.00 C ATOM 1468 CG TRP A 95 0.850 -9.712 7.324 1.00 1.00 C ATOM 1469 CD1 TRP A 95 1.369 -9.437 6.104 1.00 1.00 C ATOM 1470 CD2 TRP A 95 -0.604 -9.652 7.173 1.00 1.00 C ATOM 1471 NE1 TRP A 95 0.331 -9.200 5.220 1.00 1.00 N ATOM 1472 CE2 TRP A 95 -0.900 -9.325 5.828 1.00 1.00 C ATOM 1473 CE3 TRP A 95 -1.681 -9.842 8.060 1.00 1.00 C ATOM 1474 CZ2 TRP A 95 -2.223 -9.192 5.381 1.00 1.00 C ATOM 1475 CZ3 TRP A 95 -3.005 -9.710 7.613 1.00 1.00 C ATOM 1476 CH2 TRP A 95 -3.276 -9.387 6.275 1.00 1.00 C ATOM 0 H TRP A 95 0.765 -7.378 8.983 1.00 1.00 H new ATOM 0 HA TRP A 95 3.049 -9.053 9.868 1.00 1.00 H new ATOM 0 HB2 TRP A 95 2.398 -10.789 8.319 1.00 1.00 H new ATOM 0 HB3 TRP A 95 0.998 -10.451 9.318 1.00 1.00 H new ATOM 0 HD1 TRP A 95 2.421 -9.407 5.861 1.00 1.00 H new ATOM 0 HE1 TRP A 95 0.461 -8.962 4.237 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -1.487 -10.091 9.093 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -2.425 -8.940 4.350 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -3.821 -9.858 8.304 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -4.297 -9.290 5.938 1.00 1.00 H new ATOM 1487 N GLY A 96 4.145 -8.732 7.463 1.00 1.00 N ATOM 1488 CA GLY A 96 4.960 -8.137 6.400 1.00 1.00 C ATOM 1489 C GLY A 96 6.345 -8.774 6.302 1.00 1.00 C ATOM 1490 O GLY A 96 7.096 -8.484 5.374 1.00 1.00 O ATOM 0 H GLY A 96 4.436 -9.665 7.755 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.444 -8.247 5.446 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.067 -7.068 6.583 1.00 1.00 H new ATOM 1494 N ALA A 97 6.672 -9.636 7.259 1.00 1.00 N ATOM 1495 CA ALA A 97 7.974 -10.310 7.282 1.00 1.00 C ATOM 1496 C ALA A 97 8.144 -11.101 8.579 1.00 1.00 C ATOM 1497 O ALA A 97 9.259 -11.245 9.080 1.00 1.00 O ATOM 1498 CB ALA A 97 9.116 -9.284 7.179 1.00 1.00 C ATOM 0 H ALA A 97 6.055 -9.887 8.032 1.00 1.00 H new ATOM 0 HA ALA A 97 8.012 -10.988 6.429 1.00 1.00 H new ATOM 0 HB1 ALA A 97 10.074 -9.803 7.198 1.00 1.00 H new ATOM 0 HB2 ALA A 97 9.023 -8.728 6.246 1.00 1.00 H new ATOM 0 HB3 ALA A 97 9.061 -8.593 8.020 1.00 1.00 H new ATOM 1504 N GLU A 98 7.034 -11.596 9.126 1.00 1.00 N ATOM 1505 CA GLU A 98 7.076 -12.358 10.378 1.00 1.00 C ATOM 1506 C GLU A 98 7.133 -13.858 10.107 1.00 1.00 C ATOM 1507 O GLU A 98 6.491 -14.362 9.186 1.00 1.00 O ATOM 1508 CB GLU A 98 5.854 -12.027 11.239 1.00 1.00 C ATOM 1509 CG GLU A 98 4.567 -12.470 10.539 1.00 1.00 C ATOM 1510 CD GLU A 98 3.362 -12.098 11.394 1.00 1.00 C ATOM 1511 OE1 GLU A 98 3.152 -12.753 12.403 1.00 1.00 O ATOM 1512 OE2 GLU A 98 2.669 -11.162 11.030 1.00 1.00 O ATOM 0 H GLU A 98 6.101 -11.486 8.728 1.00 1.00 H new ATOM 0 HA GLU A 98 7.981 -12.074 10.916 1.00 1.00 H new ATOM 0 HB2 GLU A 98 5.938 -12.523 12.206 1.00 1.00 H new ATOM 0 HB3 GLU A 98 5.819 -10.955 11.433 1.00 1.00 H new ATOM 0 HG2 GLU A 98 4.492 -11.995 9.561 1.00 1.00 H new ATOM 0 HG3 GLU A 98 4.586 -13.547 10.369 1.00 1.00 H new ATOM 1519 N VAL A 99 7.920 -14.559 10.924 1.00 1.00 N ATOM 1520 CA VAL A 99 8.091 -16.009 10.799 1.00 1.00 C ATOM 1521 C VAL A 99 8.010 -16.672 12.170 1.00 1.00 C ATOM 1522 O VAL A 99 8.102 -16.003 13.200 1.00 1.00 O ATOM 1523 CB VAL A 99 9.432 -16.323 10.140 1.00 1.00 C ATOM 1524 CG1 VAL A 99 9.392 -15.881 8.676 1.00 1.00 C ATOM 1525 CG2 VAL A 99 10.543 -15.560 10.865 1.00 1.00 C ATOM 0 H VAL A 99 8.454 -14.142 11.687 1.00 1.00 H new ATOM 0 HA VAL A 99 7.290 -16.404 10.174 1.00 1.00 H new ATOM 0 HB VAL A 99 9.625 -17.394 10.196 1.00 1.00 H new ATOM 0 HG11 VAL A 99 10.348 -16.104 8.202 1.00 1.00 H new ATOM 0 HG12 VAL A 99 8.596 -16.415 8.156 1.00 1.00 H new ATOM 0 HG13 VAL A 99 9.203 -14.809 8.625 1.00 1.00 H new ATOM 0 HG21 VAL A 99 11.502 -15.782 10.397 1.00 1.00 H new ATOM 0 HG22 VAL A 99 10.349 -14.489 10.804 1.00 1.00 H new ATOM 0 HG23 VAL A 99 10.571 -15.865 11.911 1.00 1.00 H new ATOM 1535 N LYS A 100 7.816 -17.988 12.174 1.00 1.00 N ATOM 1536 CA LYS A 100 7.698 -18.741 13.424 1.00 1.00 C ATOM 1537 C LYS A 100 8.419 -20.082 13.315 1.00 1.00 C ATOM 1538 O LYS A 100 9.594 -20.199 13.659 1.00 1.00 O ATOM 1539 CB LYS A 100 6.217 -18.982 13.714 1.00 1.00 C ATOM 1540 CG LYS A 100 5.535 -17.649 14.047 1.00 1.00 C ATOM 1541 CD LYS A 100 4.028 -17.848 14.261 1.00 1.00 C ATOM 1542 CE LYS A 100 3.317 -18.009 12.911 1.00 1.00 C ATOM 1543 NZ LYS A 100 1.843 -17.943 13.120 1.00 1.00 N ATOM 0 H LYS A 100 7.737 -18.555 11.330 1.00 1.00 H new ATOM 0 HA LYS A 100 8.155 -18.168 14.231 1.00 1.00 H new ATOM 0 HB2 LYS A 100 5.737 -19.442 12.850 1.00 1.00 H new ATOM 0 HB3 LYS A 100 6.107 -19.676 14.547 1.00 1.00 H new ATOM 0 HG2 LYS A 100 5.981 -17.221 14.945 1.00 1.00 H new ATOM 0 HG3 LYS A 100 5.702 -16.938 13.238 1.00 1.00 H new ATOM 0 HD2 LYS A 100 3.854 -18.729 14.879 1.00 1.00 H new ATOM 0 HD3 LYS A 100 3.614 -16.995 14.799 1.00 1.00 H new ATOM 0 HE2 LYS A 100 3.634 -17.224 12.224 1.00 1.00 H new ATOM 0 HE3 LYS A 100 3.589 -18.961 12.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 1.358 -18.052 12.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 1.549 -18.707 13.762 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 1.592 -17.024 13.538 1.00 1.00 H new ATOM 1557 N HIS A 101 7.703 -21.090 12.822 1.00 1.00 N ATOM 1558 CA HIS A 101 8.266 -22.430 12.654 1.00 1.00 C ATOM 1559 C HIS A 101 8.789 -22.611 11.230 1.00 1.00 C ATOM 1560 O HIS A 101 9.428 -23.612 10.911 1.00 1.00 O ATOM 1561 CB HIS A 101 7.191 -23.486 12.956 1.00 1.00 C ATOM 1562 CG HIS A 101 6.154 -23.511 11.863 1.00 1.00 C ATOM 1563 ND1 HIS A 101 5.706 -24.699 11.306 1.00 1.00 N ATOM 1564 CD2 HIS A 101 5.452 -22.515 11.224 1.00 1.00 C ATOM 1565 CE1 HIS A 101 4.779 -24.393 10.381 1.00 1.00 C ATOM 1566 NE2 HIS A 101 4.585 -23.073 10.293 1.00 1.00 N ATOM 0 H HIS A 101 6.729 -21.005 12.531 1.00 1.00 H new ATOM 0 HA HIS A 101 9.097 -22.553 13.349 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.654 -24.468 13.049 1.00 1.00 H new ATOM 0 HB3 HIS A 101 6.715 -23.266 13.912 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.559 -21.458 11.417 1.00 1.00 H new ATOM 0 HE1 HIS A 101 4.255 -25.124 9.783 1.00 1.00 H new ATOM 0 HE2 HIS A 101 3.939 -22.581 9.675 1.00 1.00 H new ATOM 1575 N HIS A 102 8.497 -21.622 10.385 1.00 1.00 N ATOM 1576 CA HIS A 102 8.921 -21.648 8.988 1.00 1.00 C ATOM 1577 C HIS A 102 8.361 -22.878 8.281 1.00 1.00 C ATOM 1578 O HIS A 102 8.111 -23.909 8.906 1.00 1.00 O ATOM 1579 CB HIS A 102 10.451 -21.653 8.894 1.00 1.00 C ATOM 1580 CG HIS A 102 10.988 -20.366 9.453 1.00 1.00 C ATOM 1581 ND1 HIS A 102 11.125 -20.157 10.819 1.00 1.00 N ATOM 1582 CD2 HIS A 102 11.454 -19.223 8.850 1.00 1.00 C ATOM 1583 CE1 HIS A 102 11.652 -18.934 10.991 1.00 1.00 C ATOM 1584 NE2 HIS A 102 11.874 -18.320 9.826 1.00 1.00 N ATOM 0 H HIS A 102 7.967 -20.791 10.646 1.00 1.00 H new ATOM 0 HA HIS A 102 8.536 -20.753 8.500 1.00 1.00 H new ATOM 0 HB2 HIS A 102 10.858 -22.500 9.446 1.00 1.00 H new ATOM 0 HB3 HIS A 102 10.762 -21.770 7.856 1.00 1.00 H new ATOM 0 HD1 HIS A 102 10.871 -20.813 11.558 1.00 1.00 H new ATOM 0 HD2 HIS A 102 11.490 -19.050 7.784 1.00 1.00 H new ATOM 0 HE1 HIS A 102 11.870 -18.499 11.955 1.00 1.00 H new ATOM 1593 N HIS A 103 8.161 -22.755 6.971 1.00 1.00 N ATOM 1594 CA HIS A 103 7.626 -23.853 6.167 1.00 1.00 C ATOM 1595 C HIS A 103 8.190 -23.779 4.752 1.00 1.00 C ATOM 1596 O HIS A 103 7.624 -23.118 3.881 1.00 1.00 O ATOM 1597 CB HIS A 103 6.101 -23.766 6.125 1.00 1.00 C ATOM 1598 CG HIS A 103 5.688 -22.361 5.783 1.00 1.00 C ATOM 1599 ND1 HIS A 103 5.253 -22.006 4.516 1.00 1.00 N ATOM 1600 CD2 HIS A 103 5.656 -21.209 6.529 1.00 1.00 C ATOM 1601 CE1 HIS A 103 4.981 -20.686 4.537 1.00 1.00 C ATOM 1602 NE2 HIS A 103 5.211 -20.153 5.740 1.00 1.00 N ATOM 0 H HIS A 103 8.361 -21.906 6.443 1.00 1.00 H new ATOM 0 HA HIS A 103 7.917 -24.802 6.617 1.00 1.00 H new ATOM 0 HB2 HIS A 103 5.707 -24.463 5.385 1.00 1.00 H new ATOM 0 HB3 HIS A 103 5.683 -24.055 7.089 1.00 1.00 H new ATOM 0 HD2 HIS A 103 5.934 -21.134 7.570 1.00 1.00 H new ATOM 0 HE1 HIS A 103 4.621 -20.128 3.685 1.00 1.00 H new ATOM 0 HE2 HIS A 103 5.087 -19.180 6.020 1.00 1.00 H new ATOM 1611 N HIS A 104 9.317 -24.453 4.544 1.00 1.00 N ATOM 1612 CA HIS A 104 9.990 -24.460 3.243 1.00 1.00 C ATOM 1613 C HIS A 104 9.692 -25.748 2.482 1.00 1.00 C ATOM 1614 O HIS A 104 10.488 -26.177 1.644 1.00 1.00 O ATOM 1615 CB HIS A 104 11.499 -24.337 3.454 1.00 1.00 C ATOM 1616 CG HIS A 104 11.801 -23.047 4.165 1.00 1.00 C ATOM 1617 ND1 HIS A 104 11.890 -21.835 3.497 1.00 1.00 N ATOM 1618 CD2 HIS A 104 12.032 -22.762 5.489 1.00 1.00 C ATOM 1619 CE1 HIS A 104 12.166 -20.885 4.414 1.00 1.00 C ATOM 1620 NE2 HIS A 104 12.261 -21.399 5.642 1.00 1.00 N ATOM 0 H HIS A 104 9.788 -25.005 5.261 1.00 1.00 H new ATOM 0 HA HIS A 104 9.621 -23.618 2.658 1.00 1.00 H new ATOM 0 HB2 HIS A 104 11.866 -25.181 4.038 1.00 1.00 H new ATOM 0 HB3 HIS A 104 12.015 -24.365 2.494 1.00 1.00 H new ATOM 0 HD2 HIS A 104 12.035 -23.487 6.290 1.00 1.00 H new ATOM 0 HE1 HIS A 104 12.294 -19.838 4.183 1.00 1.00 H new ATOM 0 HE2 HIS A 104 12.459 -20.899 6.508 1.00 1.00 H new ATOM 1629 N HIS A 105 8.551 -26.369 2.772 1.00 1.00 N ATOM 1630 CA HIS A 105 8.179 -27.614 2.099 1.00 1.00 C ATOM 1631 C HIS A 105 6.664 -27.753 2.011 1.00 1.00 C ATOM 1632 O HIS A 105 5.920 -27.061 2.704 1.00 1.00 O ATOM 1633 CB HIS A 105 8.755 -28.813 2.857 1.00 1.00 C ATOM 1634 CG HIS A 105 8.316 -28.765 4.294 1.00 1.00 C ATOM 1635 ND1 HIS A 105 7.688 -29.835 4.910 1.00 1.00 N ATOM 1636 CD2 HIS A 105 8.434 -27.791 5.257 1.00 1.00 C ATOM 1637 CE1 HIS A 105 7.454 -29.487 6.188 1.00 1.00 C ATOM 1638 NE2 HIS A 105 7.888 -28.251 6.452 1.00 1.00 N ATOM 0 H HIS A 105 7.875 -26.037 3.459 1.00 1.00 H new ATOM 0 HA HIS A 105 8.588 -27.587 1.089 1.00 1.00 H new ATOM 0 HB2 HIS A 105 8.420 -29.742 2.396 1.00 1.00 H new ATOM 0 HB3 HIS A 105 9.843 -28.803 2.799 1.00 1.00 H new ATOM 0 HD2 HIS A 105 8.881 -26.819 5.109 1.00 1.00 H new ATOM 0 HE1 HIS A 105 6.974 -30.128 6.912 1.00 1.00 H new ATOM 0 HE2 HIS A 105 7.831 -27.751 7.339 1.00 1.00 H new ATOM 1647 N HIS A 106 6.216 -28.657 1.137 1.00 1.00 N ATOM 1648 CA HIS A 106 4.787 -28.903 0.933 1.00 1.00 C ATOM 1649 C HIS A 106 4.432 -30.322 1.371 1.00 1.00 C ATOM 1650 O HIS A 106 5.347 -31.088 1.623 1.00 1.00 O ATOM 1651 CB HIS A 106 4.439 -28.729 -0.548 1.00 1.00 C ATOM 1652 CG HIS A 106 5.234 -29.704 -1.371 1.00 1.00 C ATOM 1653 ND1 HIS A 106 4.934 -31.058 -1.413 1.00 1.00 N ATOM 1654 CD2 HIS A 106 6.324 -29.534 -2.189 1.00 1.00 C ATOM 1655 CE1 HIS A 106 5.827 -31.645 -2.232 1.00 1.00 C ATOM 1656 NE2 HIS A 106 6.696 -30.760 -2.733 1.00 1.00 N ATOM 1657 OXT HIS A 106 3.249 -30.620 1.441 1.00 1.00 O ATOM 0 H HIS A 106 6.826 -29.233 0.557 1.00 1.00 H new ATOM 0 HA HIS A 106 4.218 -28.189 1.529 1.00 1.00 H new ATOM 0 HB2 HIS A 106 3.372 -28.892 -0.703 1.00 1.00 H new ATOM 0 HB3 HIS A 106 4.655 -27.709 -0.865 1.00 1.00 H new ATOM 0 HD2 HIS A 106 6.817 -28.593 -2.381 1.00 1.00 H new ATOM 0 HE1 HIS A 106 5.840 -32.701 -2.457 1.00 1.00 H new ATOM 0 HE2 HIS A 106 7.466 -30.944 -3.376 1.00 1.00 H new TER 1666 HIS A 106