USER MOD reduce.3.24.130724 H: found=0, std=0, add=1038, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1036 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 81 THR OG1 : rot -44:sc= 1.15 USER MOD Set 1.2: A 131 LYS NZ :NH3+ 151:sc= 0.983 (180deg=-0.0914) USER MOD Set 2.1: A 101 LYS NZ :NH3+ -128:sc= -4.18! (180deg=-5.7!) USER MOD Set 2.2: A 107 SER OG : rot 180:sc= -0.102 USER MOD Set 3.1: A 65 THR OG1 : rot 82:sc= 1.26! USER MOD Set 3.2: A 118 SER OG : rot 102:sc= 1.62 USER MOD Set 3.3: A 122 LYS NZ :NH3+ 156:sc= 0.922 (180deg=-0.82) USER MOD Set 4.1: A 48 LYS NZ :NH3+ 164:sc= -0.032 (180deg=0) USER MOD Set 4.2: A 64 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-6!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.581 (180deg=-2.12!) USER MOD Single : A 1 MET N :NH3+ -152:sc=-0.00708 (180deg=-0.531) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 83:sc= 0.547 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0844 X(o=-0.084,f=0) USER MOD Single : A 19 ASN : amide:sc=-0.00335 X(o=-0.0034,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.9!) USER MOD Single : A 23 THR OG1 : rot 89:sc= 1.15 USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -0.18 (180deg=-0.689) USER MOD Single : A 30 ASN : amide:sc= -3.37! C(o=-3.4!,f=-2.4!) USER MOD Single : A 34 MET CE :methyl 172:sc= 0 (180deg=-0.0149) USER MOD Single : A 38 ASN : amide:sc= -1.87 K(o=-1.9,f=-9.7!) USER MOD Single : A 45 HIS : no HD1:sc= -0.0897 K(o=-0.09,f=-0.72) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -109:sc= -1.26 (180deg=-2.43) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 126:sc= -2.65! (180deg=-5.78!) USER MOD Single : A 57 SER OG : rot 102:sc= 0.0943 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -108:sc= -6.43! (180deg=-9.64!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 160:sc= -0.911 USER MOD Single : A 68 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.45) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.56) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= -0.0759 (180deg=-0.0759) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 0.0818 (180deg=0.0396) USER MOD Single : A 94 MET CE :methyl -146:sc= -10.7! (180deg=-14.4!) USER MOD Single : A 96 THR OG1 : rot 91:sc= 0.401 USER MOD Single : A 98 MET CE :methyl -156:sc= -8.4! (180deg=-9.73!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -3.57 K(o=-3.6,f=-5.7!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 106:sc= 1.14 USER MOD Single : A 126 SER OG : rot 180:sc= -0.254 USER MOD Single : A 127 SER OG : rot -6:sc= 0.906 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.614 -29.555 1.068 1.00 0.00 N ATOM 2 CA MET A 1 9.679 -29.706 0.034 1.00 0.00 C ATOM 3 C MET A 1 9.540 -28.613 -1.030 1.00 0.00 C ATOM 4 O MET A 1 10.517 -28.113 -1.552 1.00 0.00 O ATOM 5 CB MET A 1 9.443 -31.087 -0.579 1.00 0.00 C ATOM 6 CG MET A 1 9.721 -32.167 0.468 1.00 0.00 C ATOM 7 SD MET A 1 10.977 -33.309 -0.161 1.00 0.00 S ATOM 8 CE MET A 1 12.258 -32.076 -0.495 1.00 0.00 C ATOM 0 H1 MET A 1 8.953 -29.936 1.974 1.00 0.00 H new ATOM 0 H2 MET A 1 8.381 -28.548 1.181 1.00 0.00 H new ATOM 0 H3 MET A 1 7.765 -30.076 0.770 1.00 0.00 H new ATOM 0 HA MET A 1 10.680 -29.614 0.454 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.416 -31.167 -0.935 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.092 -31.228 -1.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.063 -31.709 1.396 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.804 -32.709 0.699 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.237 -32.555 -0.482 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.086 -31.629 -1.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.224 -31.300 0.269 1.00 0.00 H new ATOM 20 N MET A 2 8.333 -28.239 -1.357 1.00 0.00 N ATOM 21 CA MET A 2 8.133 -27.180 -2.387 1.00 0.00 C ATOM 22 C MET A 2 7.129 -26.137 -1.888 1.00 0.00 C ATOM 23 O MET A 2 6.266 -25.693 -2.618 1.00 0.00 O ATOM 24 CB MET A 2 7.577 -27.914 -3.608 1.00 0.00 C ATOM 25 CG MET A 2 8.334 -27.471 -4.860 1.00 0.00 C ATOM 26 SD MET A 2 7.665 -28.334 -6.303 1.00 0.00 S ATOM 27 CE MET A 2 7.909 -27.000 -7.500 1.00 0.00 C ATOM 0 H MET A 2 7.477 -28.621 -0.955 1.00 0.00 H new ATOM 0 HA MET A 2 9.057 -26.648 -2.615 1.00 0.00 H new ATOM 0 HB2 MET A 2 7.675 -28.991 -3.473 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.514 -27.702 -3.719 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.242 -26.393 -4.992 1.00 0.00 H new ATOM 0 HG3 MET A 2 9.397 -27.689 -4.752 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.558 -27.322 -8.480 1.00 0.00 H new ATOM 0 HE2 MET A 2 7.348 -26.121 -7.184 1.00 0.00 H new ATOM 0 HE3 MET A 2 8.969 -26.752 -7.558 1.00 0.00 H new ATOM 37 N GLU A 3 7.235 -25.746 -0.649 1.00 0.00 N ATOM 38 CA GLU A 3 6.285 -24.733 -0.102 1.00 0.00 C ATOM 39 C GLU A 3 7.034 -23.485 0.333 1.00 0.00 C ATOM 40 O GLU A 3 6.453 -22.531 0.811 1.00 0.00 O ATOM 41 CB GLU A 3 5.669 -25.386 1.126 1.00 0.00 C ATOM 42 CG GLU A 3 6.789 -25.894 2.034 1.00 0.00 C ATOM 43 CD GLU A 3 6.214 -26.254 3.404 1.00 0.00 C ATOM 44 OE1 GLU A 3 5.746 -27.371 3.552 1.00 0.00 O ATOM 45 OE2 GLU A 3 6.251 -25.409 4.282 1.00 0.00 O ATOM 0 H GLU A 3 7.937 -26.083 0.010 1.00 0.00 H new ATOM 0 HA GLU A 3 5.544 -24.440 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.046 -24.669 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.022 -26.211 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.265 -26.767 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.559 -25.130 2.141 1.00 0.00 H new ATOM 52 N GLU A 4 8.320 -23.491 0.200 1.00 0.00 N ATOM 53 CA GLU A 4 9.096 -22.311 0.641 1.00 0.00 C ATOM 54 C GLU A 4 8.807 -21.111 -0.258 1.00 0.00 C ATOM 55 O GLU A 4 9.244 -20.007 -0.001 1.00 0.00 O ATOM 56 CB GLU A 4 10.564 -22.727 0.541 1.00 0.00 C ATOM 57 CG GLU A 4 11.445 -21.659 1.192 1.00 0.00 C ATOM 58 CD GLU A 4 12.756 -22.295 1.658 1.00 0.00 C ATOM 59 OE1 GLU A 4 12.840 -23.511 1.637 1.00 0.00 O ATOM 60 OE2 GLU A 4 13.652 -21.554 2.029 1.00 0.00 O ATOM 0 H GLU A 4 8.867 -24.257 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 4 8.834 -22.009 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.715 -23.687 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.845 -22.858 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.649 -20.858 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.925 -21.210 2.038 1.00 0.00 H new ATOM 67 N TYR A 5 8.067 -21.318 -1.307 1.00 0.00 N ATOM 68 CA TYR A 5 7.740 -20.185 -2.218 1.00 0.00 C ATOM 69 C TYR A 5 6.876 -19.173 -1.480 1.00 0.00 C ATOM 70 O TYR A 5 7.069 -17.976 -1.565 1.00 0.00 O ATOM 71 CB TYR A 5 6.967 -20.811 -3.380 1.00 0.00 C ATOM 72 CG TYR A 5 7.929 -21.265 -4.453 1.00 0.00 C ATOM 73 CD1 TYR A 5 8.895 -22.237 -4.164 1.00 0.00 C ATOM 74 CD2 TYR A 5 7.851 -20.718 -5.740 1.00 0.00 C ATOM 75 CE1 TYR A 5 9.783 -22.660 -5.161 1.00 0.00 C ATOM 76 CE2 TYR A 5 8.738 -21.142 -6.737 1.00 0.00 C ATOM 77 CZ TYR A 5 9.704 -22.113 -6.448 1.00 0.00 C ATOM 78 OH TYR A 5 10.577 -22.533 -7.432 1.00 0.00 O ATOM 0 H TYR A 5 7.674 -22.220 -1.575 1.00 0.00 H new ATOM 0 HA TYR A 5 8.629 -19.660 -2.568 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.380 -21.658 -3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.264 -20.087 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.955 -22.660 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.106 -19.969 -5.964 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.529 -23.408 -4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.677 -20.720 -7.729 1.00 0.00 H new ATOM 0 HH TYR A 5 10.385 -22.054 -8.265 1.00 0.00 H new ATOM 88 N LEU A 6 5.936 -19.663 -0.745 1.00 0.00 N ATOM 89 CA LEU A 6 5.037 -18.767 0.033 1.00 0.00 C ATOM 90 C LEU A 6 5.680 -18.445 1.383 1.00 0.00 C ATOM 91 O LEU A 6 5.381 -17.443 2.003 1.00 0.00 O ATOM 92 CB LEU A 6 3.749 -19.569 0.225 1.00 0.00 C ATOM 93 CG LEU A 6 3.992 -20.698 1.231 1.00 0.00 C ATOM 94 CD1 LEU A 6 3.318 -20.356 2.562 1.00 0.00 C ATOM 95 CD2 LEU A 6 3.409 -22.005 0.686 1.00 0.00 C ATOM 0 H LEU A 6 5.743 -20.659 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 6 4.848 -17.819 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.952 -18.916 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.420 -19.982 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 6 5.064 -20.815 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.493 -21.161 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.735 -19.428 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.246 -20.235 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.583 -22.808 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.337 -21.887 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.892 -22.252 -0.260 1.00 0.00 H new ATOM 107 N GLY A 7 6.564 -19.290 1.840 1.00 0.00 N ATOM 108 CA GLY A 7 7.231 -19.039 3.147 1.00 0.00 C ATOM 109 C GLY A 7 8.012 -17.726 3.082 1.00 0.00 C ATOM 110 O GLY A 7 7.910 -16.891 3.957 1.00 0.00 O ATOM 0 H GLY A 7 6.853 -20.144 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.488 -18.992 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.904 -19.862 3.387 1.00 0.00 H new ATOM 114 N VAL A 8 8.795 -17.534 2.054 1.00 0.00 N ATOM 115 CA VAL A 8 9.579 -16.270 1.946 1.00 0.00 C ATOM 116 C VAL A 8 8.729 -15.181 1.303 1.00 0.00 C ATOM 117 O VAL A 8 8.957 -14.001 1.487 1.00 0.00 O ATOM 118 CB VAL A 8 10.788 -16.620 1.072 1.00 0.00 C ATOM 119 CG1 VAL A 8 11.362 -15.350 0.435 1.00 0.00 C ATOM 120 CG2 VAL A 8 11.863 -17.280 1.938 1.00 0.00 C ATOM 0 H VAL A 8 8.925 -18.195 1.288 1.00 0.00 H new ATOM 0 HA VAL A 8 9.890 -15.888 2.918 1.00 0.00 H new ATOM 0 HB VAL A 8 10.473 -17.304 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.221 -15.610 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.599 -14.876 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.675 -14.660 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.725 -17.531 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.169 -16.591 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.462 -18.189 2.386 1.00 0.00 H new ATOM 130 N PHE A 9 7.744 -15.572 0.562 1.00 0.00 N ATOM 131 CA PHE A 9 6.859 -14.569 -0.090 1.00 0.00 C ATOM 132 C PHE A 9 5.911 -13.975 0.952 1.00 0.00 C ATOM 133 O PHE A 9 5.409 -12.879 0.800 1.00 0.00 O ATOM 134 CB PHE A 9 6.079 -15.348 -1.147 1.00 0.00 C ATOM 135 CG PHE A 9 6.892 -15.434 -2.417 1.00 0.00 C ATOM 136 CD1 PHE A 9 8.274 -15.651 -2.351 1.00 0.00 C ATOM 137 CD2 PHE A 9 6.263 -15.300 -3.661 1.00 0.00 C ATOM 138 CE1 PHE A 9 9.027 -15.733 -3.529 1.00 0.00 C ATOM 139 CE2 PHE A 9 7.016 -15.382 -4.839 1.00 0.00 C ATOM 140 CZ PHE A 9 8.398 -15.599 -4.773 1.00 0.00 C ATOM 0 H PHE A 9 7.507 -16.546 0.375 1.00 0.00 H new ATOM 0 HA PHE A 9 7.415 -13.743 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.851 -16.349 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.126 -14.857 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.759 -15.755 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.197 -15.133 -3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.093 -15.900 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.531 -15.278 -5.798 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.979 -15.663 -5.681 1.00 0.00 H new ATOM 150 N VAL A 10 5.669 -14.693 2.015 1.00 0.00 N ATOM 151 CA VAL A 10 4.761 -14.175 3.076 1.00 0.00 C ATOM 152 C VAL A 10 5.568 -13.392 4.113 1.00 0.00 C ATOM 153 O VAL A 10 5.100 -12.424 4.676 1.00 0.00 O ATOM 154 CB VAL A 10 4.136 -15.418 3.709 1.00 0.00 C ATOM 155 CG1 VAL A 10 3.357 -15.016 4.962 1.00 0.00 C ATOM 156 CG2 VAL A 10 3.183 -16.076 2.708 1.00 0.00 C ATOM 0 H VAL A 10 6.062 -15.617 2.194 1.00 0.00 H new ATOM 0 HA VAL A 10 4.003 -13.499 2.681 1.00 0.00 H new ATOM 0 HB VAL A 10 4.923 -16.122 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.911 -15.902 5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.034 -14.546 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.570 -14.312 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.737 -16.963 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.396 -15.372 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.736 -16.363 1.814 1.00 0.00 H new ATOM 166 N ASP A 11 6.781 -13.798 4.368 1.00 0.00 N ATOM 167 CA ASP A 11 7.606 -13.061 5.364 1.00 0.00 C ATOM 168 C ASP A 11 8.005 -11.707 4.789 1.00 0.00 C ATOM 169 O ASP A 11 8.320 -10.775 5.502 1.00 0.00 O ATOM 170 CB ASP A 11 8.834 -13.941 5.600 1.00 0.00 C ATOM 171 CG ASP A 11 9.740 -13.286 6.645 1.00 0.00 C ATOM 172 OD1 ASP A 11 9.212 -12.639 7.535 1.00 0.00 O ATOM 173 OD2 ASP A 11 10.944 -13.445 6.538 1.00 0.00 O ATOM 0 H ASP A 11 7.233 -14.602 3.933 1.00 0.00 H new ATOM 0 HA ASP A 11 7.073 -12.871 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.526 -14.930 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.379 -14.080 4.667 1.00 0.00 H new ATOM 178 N GLU A 12 7.979 -11.603 3.498 1.00 0.00 N ATOM 179 CA GLU A 12 8.339 -10.320 2.834 1.00 0.00 C ATOM 180 C GLU A 12 7.088 -9.456 2.645 1.00 0.00 C ATOM 181 O GLU A 12 7.123 -8.252 2.801 1.00 0.00 O ATOM 182 CB GLU A 12 8.925 -10.726 1.482 1.00 0.00 C ATOM 183 CG GLU A 12 10.394 -11.112 1.659 1.00 0.00 C ATOM 184 CD GLU A 12 11.288 -9.959 1.198 1.00 0.00 C ATOM 185 OE1 GLU A 12 10.749 -8.931 0.822 1.00 0.00 O ATOM 186 OE2 GLU A 12 12.497 -10.123 1.228 1.00 0.00 O ATOM 0 H GLU A 12 7.721 -12.358 2.863 1.00 0.00 H new ATOM 0 HA GLU A 12 9.044 -9.731 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.365 -11.564 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.837 -9.903 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.595 -11.346 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.616 -12.010 1.083 1.00 0.00 H new ATOM 193 N THR A 13 5.983 -10.065 2.304 1.00 0.00 N ATOM 194 CA THR A 13 4.732 -9.279 2.101 1.00 0.00 C ATOM 195 C THR A 13 4.348 -8.545 3.392 1.00 0.00 C ATOM 196 O THR A 13 3.815 -7.455 3.362 1.00 0.00 O ATOM 197 CB THR A 13 3.664 -10.313 1.707 1.00 0.00 C ATOM 198 OG1 THR A 13 2.677 -9.683 0.903 1.00 0.00 O ATOM 199 CG2 THR A 13 3.001 -10.904 2.956 1.00 0.00 C ATOM 0 H THR A 13 5.893 -11.070 2.158 1.00 0.00 H new ATOM 0 HA THR A 13 4.845 -8.513 1.334 1.00 0.00 H new ATOM 0 HB THR A 13 4.142 -11.119 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.985 -9.650 -0.027 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.248 -11.634 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.756 -11.393 3.572 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.527 -10.107 3.528 1.00 0.00 H new ATOM 207 N LYS A 14 4.615 -9.136 4.524 1.00 0.00 N ATOM 208 CA LYS A 14 4.264 -8.472 5.814 1.00 0.00 C ATOM 209 C LYS A 14 5.369 -7.501 6.229 1.00 0.00 C ATOM 210 O LYS A 14 5.105 -6.394 6.656 1.00 0.00 O ATOM 211 CB LYS A 14 4.137 -9.614 6.825 1.00 0.00 C ATOM 212 CG LYS A 14 3.003 -10.549 6.401 1.00 0.00 C ATOM 213 CD LYS A 14 3.429 -12.001 6.625 1.00 0.00 C ATOM 214 CE LYS A 14 2.593 -12.611 7.753 1.00 0.00 C ATOM 215 NZ LYS A 14 3.364 -12.332 8.995 1.00 0.00 N ATOM 0 H LYS A 14 5.061 -10.049 4.613 1.00 0.00 H new ATOM 0 HA LYS A 14 3.346 -7.889 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.075 -10.167 6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.939 -9.213 7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.103 -10.330 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.758 -10.388 5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.296 -12.575 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.488 -12.045 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.600 -12.163 7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.454 -13.682 7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.855 -12.720 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.302 -12.776 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.475 -11.304 9.111 1.00 0.00 H new ATOM 229 N GLU A 15 6.606 -7.894 6.103 1.00 0.00 N ATOM 230 CA GLU A 15 7.712 -6.976 6.488 1.00 0.00 C ATOM 231 C GLU A 15 7.699 -5.749 5.582 1.00 0.00 C ATOM 232 O GLU A 15 8.329 -4.748 5.853 1.00 0.00 O ATOM 233 CB GLU A 15 8.991 -7.786 6.290 1.00 0.00 C ATOM 234 CG GLU A 15 9.118 -8.809 7.417 1.00 0.00 C ATOM 235 CD GLU A 15 10.543 -9.365 7.448 1.00 0.00 C ATOM 236 OE1 GLU A 15 10.982 -9.871 6.428 1.00 0.00 O ATOM 237 OE2 GLU A 15 11.170 -9.275 8.490 1.00 0.00 O ATOM 0 H GLU A 15 6.897 -8.806 5.752 1.00 0.00 H new ATOM 0 HA GLU A 15 7.622 -6.618 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.969 -8.292 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.857 -7.124 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.878 -8.344 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.404 -9.619 7.268 1.00 0.00 H new ATOM 244 N TYR A 16 6.969 -5.829 4.513 1.00 0.00 N ATOM 245 CA TYR A 16 6.884 -4.680 3.574 1.00 0.00 C ATOM 246 C TYR A 16 5.713 -3.779 3.961 1.00 0.00 C ATOM 247 O TYR A 16 5.810 -2.574 3.903 1.00 0.00 O ATOM 248 CB TYR A 16 6.673 -5.298 2.191 1.00 0.00 C ATOM 249 CG TYR A 16 7.994 -5.337 1.457 1.00 0.00 C ATOM 250 CD1 TYR A 16 9.071 -6.053 1.995 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.143 -4.656 0.243 1.00 0.00 C ATOM 252 CE1 TYR A 16 10.296 -6.088 1.319 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.370 -4.690 -0.432 1.00 0.00 C ATOM 254 CZ TYR A 16 10.446 -5.406 0.106 1.00 0.00 C ATOM 255 OH TYR A 16 11.655 -5.440 -0.560 1.00 0.00 O ATOM 0 H TYR A 16 6.422 -6.647 4.245 1.00 0.00 H new ATOM 0 HA TYR A 16 7.780 -4.059 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.267 -6.305 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.946 -4.714 1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.956 -6.578 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.313 -4.105 -0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.126 -6.641 1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.486 -4.164 -1.368 1.00 0.00 H new ATOM 0 HH TYR A 16 11.589 -4.916 -1.386 1.00 0.00 H new ATOM 265 N LEU A 17 4.611 -4.346 4.374 1.00 0.00 N ATOM 266 CA LEU A 17 3.460 -3.493 4.781 1.00 0.00 C ATOM 267 C LEU A 17 3.892 -2.632 5.960 1.00 0.00 C ATOM 268 O LEU A 17 3.568 -1.465 6.052 1.00 0.00 O ATOM 269 CB LEU A 17 2.357 -4.464 5.196 1.00 0.00 C ATOM 270 CG LEU A 17 1.835 -5.188 3.960 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.718 -6.152 4.362 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.292 -4.161 2.962 1.00 0.00 C ATOM 0 H LEU A 17 4.460 -5.352 4.446 1.00 0.00 H new ATOM 0 HA LEU A 17 3.116 -2.831 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.742 -5.184 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.546 -3.924 5.686 1.00 0.00 H new ATOM 0 HG LEU A 17 2.647 -5.751 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.347 -6.668 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.106 -6.882 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.096 -5.593 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.918 -4.676 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.481 -3.598 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.090 -3.477 2.673 1.00 0.00 H new ATOM 284 N GLN A 18 4.654 -3.202 6.846 1.00 0.00 N ATOM 285 CA GLN A 18 5.154 -2.426 8.008 1.00 0.00 C ATOM 286 C GLN A 18 6.155 -1.415 7.494 1.00 0.00 C ATOM 287 O GLN A 18 6.080 -0.234 7.769 1.00 0.00 O ATOM 288 CB GLN A 18 5.785 -3.474 8.923 1.00 0.00 C ATOM 289 CG GLN A 18 7.283 -3.214 9.138 1.00 0.00 C ATOM 290 CD GLN A 18 7.835 -4.230 10.139 1.00 0.00 C ATOM 291 OE1 GLN A 18 7.622 -4.104 11.329 1.00 0.00 O ATOM 292 NE2 GLN A 18 8.540 -5.238 9.704 1.00 0.00 N ATOM 0 H GLN A 18 4.953 -4.177 6.815 1.00 0.00 H new ATOM 0 HA GLN A 18 4.391 -1.867 8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.274 -3.472 9.886 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.646 -4.465 8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.817 -3.293 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.438 -2.201 9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.718 -5.343 8.705 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.913 -5.921 10.363 1.00 0.00 H new ATOM 301 N ASN A 19 7.054 -1.875 6.695 1.00 0.00 N ATOM 302 CA ASN A 19 8.032 -0.950 6.086 1.00 0.00 C ATOM 303 C ASN A 19 7.242 0.026 5.232 1.00 0.00 C ATOM 304 O ASN A 19 7.653 1.139 4.965 1.00 0.00 O ATOM 305 CB ASN A 19 8.948 -1.835 5.234 1.00 0.00 C ATOM 306 CG ASN A 19 9.619 -0.988 4.151 1.00 0.00 C ATOM 307 OD1 ASN A 19 10.576 -0.288 4.418 1.00 0.00 O ATOM 308 ND2 ASN A 19 9.156 -1.024 2.931 1.00 0.00 N ATOM 0 H ASN A 19 7.158 -2.855 6.433 1.00 0.00 H new ATOM 0 HA ASN A 19 8.625 -0.381 6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.704 -2.305 5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.371 -2.638 4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.597 -0.465 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.353 -1.612 2.707 1.00 0.00 H new ATOM 315 N LEU A 20 6.078 -0.394 4.838 1.00 0.00 N ATOM 316 CA LEU A 20 5.194 0.475 4.029 1.00 0.00 C ATOM 317 C LEU A 20 4.284 1.259 4.964 1.00 0.00 C ATOM 318 O LEU A 20 3.651 2.221 4.575 1.00 0.00 O ATOM 319 CB LEU A 20 4.389 -0.477 3.147 1.00 0.00 C ATOM 320 CG LEU A 20 3.153 0.245 2.612 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.589 1.355 1.654 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.264 -0.755 1.870 1.00 0.00 C ATOM 0 H LEU A 20 5.697 -1.317 5.046 1.00 0.00 H new ATOM 0 HA LEU A 20 5.742 1.197 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.004 -0.830 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.091 -1.355 3.719 1.00 0.00 H new ATOM 0 HG LEU A 20 2.595 0.681 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.709 1.872 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.224 2.065 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.145 0.921 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.381 -0.243 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.820 -1.190 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.956 -1.546 2.554 1.00 0.00 H new ATOM 334 N ASN A 21 4.261 0.888 6.211 1.00 0.00 N ATOM 335 CA ASN A 21 3.452 1.635 7.184 1.00 0.00 C ATOM 336 C ASN A 21 4.371 2.664 7.767 1.00 0.00 C ATOM 337 O ASN A 21 3.988 3.755 8.118 1.00 0.00 O ATOM 338 CB ASN A 21 3.023 0.632 8.245 1.00 0.00 C ATOM 339 CG ASN A 21 1.578 0.199 7.989 1.00 0.00 C ATOM 340 OD1 ASN A 21 1.060 0.378 6.906 1.00 0.00 O ATOM 341 ND2 ASN A 21 0.903 -0.367 8.950 1.00 0.00 N ATOM 0 H ASN A 21 4.774 0.093 6.592 1.00 0.00 H new ATOM 0 HA ASN A 21 2.570 2.115 6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.682 -0.236 8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.110 1.077 9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.061 -0.660 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.339 -0.517 9.860 1.00 0.00 H new ATOM 348 N ASP A 22 5.613 2.314 7.833 1.00 0.00 N ATOM 349 CA ASP A 22 6.600 3.264 8.353 1.00 0.00 C ATOM 350 C ASP A 22 6.674 4.405 7.365 1.00 0.00 C ATOM 351 O ASP A 22 6.817 5.562 7.709 1.00 0.00 O ATOM 352 CB ASP A 22 7.921 2.501 8.441 1.00 0.00 C ATOM 353 CG ASP A 22 7.759 1.305 9.379 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.685 1.160 9.941 1.00 0.00 O ATOM 355 OD2 ASP A 22 8.710 0.555 9.521 1.00 0.00 O ATOM 0 H ASP A 22 5.984 1.408 7.547 1.00 0.00 H new ATOM 0 HA ASP A 22 6.353 3.669 9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.223 2.161 7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.709 3.159 8.807 1.00 0.00 H new ATOM 360 N THR A 23 6.520 4.058 6.133 1.00 0.00 N ATOM 361 CA THR A 23 6.510 5.067 5.048 1.00 0.00 C ATOM 362 C THR A 23 5.187 5.818 5.112 1.00 0.00 C ATOM 363 O THR A 23 5.130 7.028 5.008 1.00 0.00 O ATOM 364 CB THR A 23 6.558 4.239 3.779 1.00 0.00 C ATOM 365 OG1 THR A 23 7.821 3.600 3.672 1.00 0.00 O ATOM 366 CG2 THR A 23 6.327 5.140 2.565 1.00 0.00 C ATOM 0 H THR A 23 6.397 3.095 5.820 1.00 0.00 H new ATOM 0 HA THR A 23 7.325 5.788 5.110 1.00 0.00 H new ATOM 0 HB THR A 23 5.776 3.481 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.787 2.730 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.362 4.541 1.655 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.351 5.618 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.103 5.904 2.526 1.00 0.00 H new ATOM 374 N LEU A 24 4.117 5.091 5.301 1.00 0.00 N ATOM 375 CA LEU A 24 2.785 5.735 5.396 1.00 0.00 C ATOM 376 C LEU A 24 2.720 6.500 6.707 1.00 0.00 C ATOM 377 O LEU A 24 2.022 7.486 6.835 1.00 0.00 O ATOM 378 CB LEU A 24 1.778 4.583 5.393 1.00 0.00 C ATOM 379 CG LEU A 24 1.256 4.361 3.973 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.407 3.087 3.934 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.400 5.557 3.552 1.00 0.00 C ATOM 0 H LEU A 24 4.114 4.075 5.393 1.00 0.00 H new ATOM 0 HA LEU A 24 2.583 6.433 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.250 3.673 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.950 4.809 6.064 1.00 0.00 H new ATOM 0 HG LEU A 24 2.098 4.257 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.035 2.929 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.016 2.234 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.435 3.190 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.028 5.400 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.442 5.661 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.004 6.464 3.579 1.00 0.00 H new ATOM 393 N LEU A 25 3.460 6.053 7.685 1.00 0.00 N ATOM 394 CA LEU A 25 3.450 6.768 8.994 1.00 0.00 C ATOM 395 C LEU A 25 4.409 7.939 8.945 1.00 0.00 C ATOM 396 O LEU A 25 4.325 8.870 9.719 1.00 0.00 O ATOM 397 CB LEU A 25 3.877 5.734 10.024 1.00 0.00 C ATOM 398 CG LEU A 25 2.761 4.712 10.146 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.304 3.420 10.756 1.00 0.00 C ATOM 400 CD2 LEU A 25 1.651 5.280 11.029 1.00 0.00 C ATOM 0 H LEU A 25 4.065 5.233 7.637 1.00 0.00 H new ATOM 0 HA LEU A 25 2.471 7.178 9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.805 5.251 9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.067 6.209 10.986 1.00 0.00 H new ATOM 0 HG LEU A 25 2.360 4.492 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.498 2.691 10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.091 3.019 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.711 3.628 11.746 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.848 4.549 11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.051 5.503 12.018 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.261 6.194 10.581 1.00 0.00 H new ATOM 412 N GLU A 26 5.276 7.929 7.992 1.00 0.00 N ATOM 413 CA GLU A 26 6.192 9.071 7.816 1.00 0.00 C ATOM 414 C GLU A 26 5.538 9.958 6.794 1.00 0.00 C ATOM 415 O GLU A 26 5.687 11.163 6.780 1.00 0.00 O ATOM 416 CB GLU A 26 7.514 8.491 7.312 1.00 0.00 C ATOM 417 CG GLU A 26 8.255 7.817 8.469 1.00 0.00 C ATOM 418 CD GLU A 26 9.515 7.135 7.935 1.00 0.00 C ATOM 419 OE1 GLU A 26 10.158 7.713 7.072 1.00 0.00 O ATOM 420 OE2 GLU A 26 9.817 6.046 8.394 1.00 0.00 O ATOM 0 H GLU A 26 5.392 7.171 7.319 1.00 0.00 H new ATOM 0 HA GLU A 26 6.387 9.645 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.326 7.769 6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.130 9.282 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.520 8.556 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.608 7.085 8.952 1.00 0.00 H new ATOM 427 N LEU A 27 4.783 9.335 5.944 1.00 0.00 N ATOM 428 CA LEU A 27 4.067 10.084 4.910 1.00 0.00 C ATOM 429 C LEU A 27 2.905 10.834 5.551 1.00 0.00 C ATOM 430 O LEU A 27 2.456 11.847 5.061 1.00 0.00 O ATOM 431 CB LEU A 27 3.569 9.044 3.912 1.00 0.00 C ATOM 432 CG LEU A 27 2.556 9.694 2.970 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.280 10.648 2.021 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.845 8.608 2.162 1.00 0.00 C ATOM 0 H LEU A 27 4.635 8.326 5.929 1.00 0.00 H new ATOM 0 HA LEU A 27 4.697 10.822 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.406 8.640 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.109 8.208 4.439 1.00 0.00 H new ATOM 0 HG LEU A 27 1.823 10.252 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.557 11.111 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.786 11.421 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.014 10.093 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.122 9.070 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.578 8.050 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.328 7.930 2.840 1.00 0.00 H new ATOM 446 N GLU A 28 2.426 10.352 6.661 1.00 0.00 N ATOM 447 CA GLU A 28 1.318 11.061 7.346 1.00 0.00 C ATOM 448 C GLU A 28 1.897 12.318 7.985 1.00 0.00 C ATOM 449 O GLU A 28 1.332 13.391 7.918 1.00 0.00 O ATOM 450 CB GLU A 28 0.809 10.073 8.391 1.00 0.00 C ATOM 451 CG GLU A 28 1.595 10.225 9.692 1.00 0.00 C ATOM 452 CD GLU A 28 1.043 9.263 10.746 1.00 0.00 C ATOM 453 OE1 GLU A 28 -0.160 9.057 10.761 1.00 0.00 O ATOM 454 OE2 GLU A 28 1.832 8.748 11.521 1.00 0.00 O ATOM 0 H GLU A 28 2.753 9.502 7.120 1.00 0.00 H new ATOM 0 HA GLU A 28 0.505 11.369 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.251 10.244 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.907 9.054 8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.651 10.019 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.526 11.252 10.052 1.00 0.00 H new ATOM 461 N LYS A 29 3.060 12.186 8.560 1.00 0.00 N ATOM 462 CA LYS A 29 3.726 13.367 9.157 1.00 0.00 C ATOM 463 C LYS A 29 4.271 14.206 8.008 1.00 0.00 C ATOM 464 O LYS A 29 4.605 15.366 8.146 1.00 0.00 O ATOM 465 CB LYS A 29 4.827 12.772 10.041 1.00 0.00 C ATOM 466 CG LYS A 29 6.214 12.929 9.408 1.00 0.00 C ATOM 467 CD LYS A 29 7.095 11.780 9.881 1.00 0.00 C ATOM 468 CE LYS A 29 8.165 11.487 8.828 1.00 0.00 C ATOM 469 NZ LYS A 29 9.336 10.980 9.598 1.00 0.00 N ATOM 0 H LYS A 29 3.575 11.309 8.640 1.00 0.00 H new ATOM 0 HA LYS A 29 3.084 14.017 9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.815 13.261 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.624 11.715 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.137 12.924 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.654 13.885 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.565 12.036 10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.489 10.891 10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.817 10.748 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.421 12.385 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.966 10.450 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.854 11.782 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.006 10.354 10.360 1.00 0.00 H new ATOM 483 N ASN A 30 4.322 13.595 6.864 1.00 0.00 N ATOM 484 CA ASN A 30 4.801 14.294 5.639 1.00 0.00 C ATOM 485 C ASN A 30 4.062 13.720 4.451 1.00 0.00 C ATOM 486 O ASN A 30 4.578 12.919 3.696 1.00 0.00 O ATOM 487 CB ASN A 30 6.305 14.030 5.553 1.00 0.00 C ATOM 488 CG ASN A 30 7.069 15.297 5.942 1.00 0.00 C ATOM 489 OD1 ASN A 30 7.717 15.338 6.969 1.00 0.00 O ATOM 490 ND2 ASN A 30 7.019 16.341 5.160 1.00 0.00 N ATOM 0 H ASN A 30 4.048 12.623 6.720 1.00 0.00 H new ATOM 0 HA ASN A 30 4.619 15.368 5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.579 13.209 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.574 13.726 4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.524 17.191 5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.475 16.307 4.298 1.00 0.00 H new ATOM 497 N PRO A 31 2.840 14.139 4.374 1.00 0.00 N ATOM 498 CA PRO A 31 1.928 13.669 3.325 1.00 0.00 C ATOM 499 C PRO A 31 2.081 14.485 2.040 1.00 0.00 C ATOM 500 O PRO A 31 1.211 14.493 1.192 1.00 0.00 O ATOM 501 CB PRO A 31 0.570 13.892 3.961 1.00 0.00 C ATOM 502 CG PRO A 31 0.741 14.999 4.952 1.00 0.00 C ATOM 503 CD PRO A 31 2.200 15.099 5.276 1.00 0.00 C ATOM 0 HA PRO A 31 2.108 12.638 3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.172 14.157 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.217 12.984 4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.375 15.940 4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.162 14.798 5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.575 16.109 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.393 14.853 6.320 1.00 0.00 H new ATOM 511 N GLU A 32 3.181 15.160 1.882 1.00 0.00 N ATOM 512 CA GLU A 32 3.395 15.963 0.646 1.00 0.00 C ATOM 513 C GLU A 32 4.780 15.650 0.092 1.00 0.00 C ATOM 514 O GLU A 32 5.194 16.172 -0.925 1.00 0.00 O ATOM 515 CB GLU A 32 3.300 17.443 1.057 1.00 0.00 C ATOM 516 CG GLU A 32 2.847 17.567 2.514 1.00 0.00 C ATOM 517 CD GLU A 32 2.919 19.032 2.952 1.00 0.00 C ATOM 518 OE1 GLU A 32 1.963 19.750 2.707 1.00 0.00 O ATOM 519 OE2 GLU A 32 3.928 19.411 3.523 1.00 0.00 O ATOM 0 H GLU A 32 3.945 15.192 2.557 1.00 0.00 H new ATOM 0 HA GLU A 32 2.657 15.735 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.269 17.925 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.597 17.963 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.828 17.195 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.480 16.954 3.155 1.00 0.00 H new ATOM 526 N ASP A 33 5.495 14.789 0.759 1.00 0.00 N ATOM 527 CA ASP A 33 6.850 14.423 0.287 1.00 0.00 C ATOM 528 C ASP A 33 6.742 13.328 -0.776 1.00 0.00 C ATOM 529 O ASP A 33 6.220 12.259 -0.525 1.00 0.00 O ATOM 530 CB ASP A 33 7.581 13.910 1.528 1.00 0.00 C ATOM 531 CG ASP A 33 7.633 15.020 2.580 1.00 0.00 C ATOM 532 OD1 ASP A 33 7.061 16.069 2.334 1.00 0.00 O ATOM 533 OD2 ASP A 33 8.243 14.801 3.613 1.00 0.00 O ATOM 0 H ASP A 33 5.194 14.323 1.615 1.00 0.00 H new ATOM 0 HA ASP A 33 7.379 15.261 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.069 13.036 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.591 13.595 1.265 1.00 0.00 H new ATOM 538 N MET A 34 7.217 13.586 -1.961 1.00 0.00 N ATOM 539 CA MET A 34 7.125 12.561 -3.038 1.00 0.00 C ATOM 540 C MET A 34 8.014 11.358 -2.721 1.00 0.00 C ATOM 541 O MET A 34 8.009 10.374 -3.433 1.00 0.00 O ATOM 542 CB MET A 34 7.607 13.270 -4.304 1.00 0.00 C ATOM 543 CG MET A 34 6.779 14.535 -4.530 1.00 0.00 C ATOM 544 SD MET A 34 6.926 15.054 -6.258 1.00 0.00 S ATOM 545 CE MET A 34 5.183 14.853 -6.705 1.00 0.00 C ATOM 0 H MET A 34 7.665 14.462 -2.231 1.00 0.00 H new ATOM 0 HA MET A 34 6.111 12.175 -3.146 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.662 13.526 -4.210 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.515 12.605 -5.163 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.734 14.347 -4.284 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.124 15.331 -3.870 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.015 15.256 -7.704 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.924 13.794 -6.693 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.560 15.387 -5.988 1.00 0.00 H new ATOM 555 N GLU A 35 8.773 11.415 -1.661 1.00 0.00 N ATOM 556 CA GLU A 35 9.642 10.254 -1.328 1.00 0.00 C ATOM 557 C GLU A 35 8.812 9.176 -0.635 1.00 0.00 C ATOM 558 O GLU A 35 8.839 8.024 -1.021 1.00 0.00 O ATOM 559 CB GLU A 35 10.742 10.799 -0.408 1.00 0.00 C ATOM 560 CG GLU A 35 10.135 11.332 0.892 1.00 0.00 C ATOM 561 CD GLU A 35 11.206 12.092 1.679 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.375 11.895 1.392 1.00 0.00 O ATOM 563 OE2 GLU A 35 10.837 12.857 2.553 1.00 0.00 O ATOM 0 H GLU A 35 8.828 12.206 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 35 10.081 9.795 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.461 10.011 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.288 11.595 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.295 11.990 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.746 10.508 1.489 1.00 0.00 H new ATOM 570 N LEU A 36 8.045 9.533 0.357 1.00 0.00 N ATOM 571 CA LEU A 36 7.197 8.505 1.014 1.00 0.00 C ATOM 572 C LEU A 36 6.052 8.169 0.067 1.00 0.00 C ATOM 573 O LEU A 36 5.473 7.102 0.117 1.00 0.00 O ATOM 574 CB LEU A 36 6.666 9.137 2.304 1.00 0.00 C ATOM 575 CG LEU A 36 7.805 9.801 3.083 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.375 10.009 4.535 1.00 0.00 C ATOM 577 CD2 LEU A 36 9.055 8.914 3.049 1.00 0.00 C ATOM 0 H LEU A 36 7.970 10.477 0.735 1.00 0.00 H new ATOM 0 HA LEU A 36 7.743 7.590 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.901 9.876 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.191 8.374 2.921 1.00 0.00 H new ATOM 0 HG LEU A 36 8.035 10.762 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.185 10.482 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.493 10.649 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.140 9.045 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.858 9.396 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.828 7.948 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.368 8.766 2.015 1.00 0.00 H new ATOM 589 N ILE A 37 5.744 9.077 -0.820 1.00 0.00 N ATOM 590 CA ILE A 37 4.661 8.825 -1.801 1.00 0.00 C ATOM 591 C ILE A 37 5.187 7.890 -2.888 1.00 0.00 C ATOM 592 O ILE A 37 4.467 7.064 -3.413 1.00 0.00 O ATOM 593 CB ILE A 37 4.329 10.203 -2.373 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.451 10.965 -1.379 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.583 10.049 -3.698 1.00 0.00 C ATOM 596 CD1 ILE A 37 3.047 12.311 -1.983 1.00 0.00 C ATOM 0 H ILE A 37 6.201 9.985 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 37 3.780 8.353 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 37 5.253 10.755 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.563 10.380 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.991 11.121 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.349 11.035 -4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.209 9.507 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.658 9.496 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.421 12.854 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.941 12.895 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.490 12.144 -2.905 1.00 0.00 H new ATOM 608 N ASN A 38 6.448 8.004 -3.224 1.00 0.00 N ATOM 609 CA ASN A 38 7.015 7.105 -4.266 1.00 0.00 C ATOM 610 C ASN A 38 7.593 5.857 -3.616 1.00 0.00 C ATOM 611 O ASN A 38 7.729 4.820 -4.236 1.00 0.00 O ATOM 612 CB ASN A 38 8.104 7.920 -4.964 1.00 0.00 C ATOM 613 CG ASN A 38 7.452 8.945 -5.894 1.00 0.00 C ATOM 614 OD1 ASN A 38 6.413 8.687 -6.468 1.00 0.00 O ATOM 615 ND2 ASN A 38 8.022 10.105 -6.066 1.00 0.00 N ATOM 0 H ASN A 38 7.102 8.676 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 38 6.261 6.769 -4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.725 8.426 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.759 7.261 -5.533 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.595 10.796 -6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.894 10.321 -5.584 1.00 0.00 H new ATOM 622 N GLU A 39 7.909 5.944 -2.364 1.00 0.00 N ATOM 623 CA GLU A 39 8.453 4.755 -1.651 1.00 0.00 C ATOM 624 C GLU A 39 7.294 3.845 -1.280 1.00 0.00 C ATOM 625 O GLU A 39 7.438 2.649 -1.112 1.00 0.00 O ATOM 626 CB GLU A 39 9.144 5.306 -0.402 1.00 0.00 C ATOM 627 CG GLU A 39 10.521 5.850 -0.783 1.00 0.00 C ATOM 628 CD GLU A 39 11.595 4.831 -0.401 1.00 0.00 C ATOM 629 OE1 GLU A 39 11.274 3.655 -0.342 1.00 0.00 O ATOM 630 OE2 GLU A 39 12.721 5.243 -0.172 1.00 0.00 O ATOM 0 H GLU A 39 7.816 6.787 -1.797 1.00 0.00 H new ATOM 0 HA GLU A 39 9.153 4.176 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.539 6.096 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.245 4.521 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.561 6.052 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.704 6.796 -0.273 1.00 0.00 H new ATOM 637 N ALA A 40 6.139 4.419 -1.179 1.00 0.00 N ATOM 638 CA ALA A 40 4.928 3.628 -0.847 1.00 0.00 C ATOM 639 C ALA A 40 4.287 3.130 -2.146 1.00 0.00 C ATOM 640 O ALA A 40 3.971 1.965 -2.279 1.00 0.00 O ATOM 641 CB ALA A 40 4.009 4.602 -0.112 1.00 0.00 C ATOM 0 H ALA A 40 5.976 5.417 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 40 5.140 2.751 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.088 4.092 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.509 4.968 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.774 5.443 -0.764 1.00 0.00 H new ATOM 647 N PHE A 41 4.114 3.994 -3.116 1.00 0.00 N ATOM 648 CA PHE A 41 3.519 3.535 -4.403 1.00 0.00 C ATOM 649 C PHE A 41 4.247 2.268 -4.867 1.00 0.00 C ATOM 650 O PHE A 41 3.637 1.304 -5.286 1.00 0.00 O ATOM 651 CB PHE A 41 3.749 4.692 -5.382 1.00 0.00 C ATOM 652 CG PHE A 41 3.737 4.179 -6.806 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.927 3.743 -7.401 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.537 4.138 -7.526 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.918 3.268 -8.718 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.529 3.662 -8.844 1.00 0.00 C ATOM 657 CZ PHE A 41 3.719 3.227 -9.439 1.00 0.00 C ATOM 0 H PHE A 41 4.356 4.984 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 41 2.460 3.291 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.974 5.447 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.703 5.175 -5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.852 3.773 -6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.619 4.473 -7.066 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.836 2.933 -9.178 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.604 3.631 -9.401 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.712 2.860 -10.455 1.00 0.00 H new ATOM 667 N ARG A 42 5.552 2.265 -4.786 1.00 0.00 N ATOM 668 CA ARG A 42 6.325 1.064 -5.213 1.00 0.00 C ATOM 669 C ARG A 42 5.988 -0.122 -4.306 1.00 0.00 C ATOM 670 O ARG A 42 5.474 -1.128 -4.752 1.00 0.00 O ATOM 671 CB ARG A 42 7.793 1.457 -5.051 1.00 0.00 C ATOM 672 CG ARG A 42 8.174 2.471 -6.130 1.00 0.00 C ATOM 673 CD ARG A 42 9.640 2.869 -5.954 1.00 0.00 C ATOM 674 NE ARG A 42 9.777 4.166 -6.672 1.00 0.00 N ATOM 675 CZ ARG A 42 10.696 4.311 -7.587 1.00 0.00 C ATOM 676 NH1 ARG A 42 11.919 3.923 -7.350 1.00 0.00 N ATOM 677 NH2 ARG A 42 10.393 4.844 -8.739 1.00 0.00 N ATOM 0 H ARG A 42 6.115 3.043 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 42 6.095 0.765 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.959 1.884 -4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.427 0.574 -5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.018 2.042 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.535 3.351 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.897 2.973 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.307 2.114 -6.372 1.00 0.00 H new ATOM 0 HE ARG A 42 9.153 4.941 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.156 3.506 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.638 4.036 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.437 5.148 -8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.112 4.957 -9.454 1.00 0.00 H new ATOM 691 N ALA A 43 6.272 -0.008 -3.036 1.00 0.00 N ATOM 692 CA ALA A 43 5.962 -1.129 -2.099 1.00 0.00 C ATOM 693 C ALA A 43 4.590 -1.718 -2.420 1.00 0.00 C ATOM 694 O ALA A 43 4.458 -2.899 -2.669 1.00 0.00 O ATOM 695 CB ALA A 43 5.962 -0.498 -0.707 1.00 0.00 C ATOM 0 H ALA A 43 6.704 0.810 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 43 6.684 -1.942 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.741 -1.262 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.941 -0.065 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.203 0.283 -0.662 1.00 0.00 H new ATOM 701 N LEU A 44 3.570 -0.905 -2.426 1.00 0.00 N ATOM 702 CA LEU A 44 2.211 -1.425 -2.740 1.00 0.00 C ATOM 703 C LEU A 44 2.179 -1.939 -4.178 1.00 0.00 C ATOM 704 O LEU A 44 1.527 -2.918 -4.486 1.00 0.00 O ATOM 705 CB LEU A 44 1.279 -0.228 -2.565 1.00 0.00 C ATOM 706 CG LEU A 44 1.178 0.125 -1.083 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.596 1.533 -0.931 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.266 -0.882 -0.381 1.00 0.00 C ATOM 0 H LEU A 44 3.619 0.094 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 44 1.917 -2.255 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.656 0.626 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.291 -0.461 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 44 2.170 0.092 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.524 1.785 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.246 2.251 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.397 1.567 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.193 -0.631 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.726 -0.849 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.680 -1.885 -0.488 1.00 0.00 H new ATOM 720 N HIS A 45 2.896 -1.297 -5.057 1.00 0.00 N ATOM 721 CA HIS A 45 2.929 -1.760 -6.471 1.00 0.00 C ATOM 722 C HIS A 45 3.675 -3.089 -6.533 1.00 0.00 C ATOM 723 O HIS A 45 3.352 -3.966 -7.310 1.00 0.00 O ATOM 724 CB HIS A 45 3.696 -0.668 -7.219 1.00 0.00 C ATOM 725 CG HIS A 45 3.956 -1.109 -8.632 1.00 0.00 C ATOM 726 ND1 HIS A 45 5.081 -1.838 -8.987 1.00 0.00 N ATOM 727 CD2 HIS A 45 3.249 -0.924 -9.795 1.00 0.00 C ATOM 728 CE1 HIS A 45 5.018 -2.063 -10.312 1.00 0.00 C ATOM 729 NE2 HIS A 45 3.920 -1.528 -10.853 1.00 0.00 N ATOM 0 H HIS A 45 3.461 -0.471 -4.857 1.00 0.00 H new ATOM 0 HA HIS A 45 1.940 -1.917 -6.901 1.00 0.00 H new ATOM 0 HB2 HIS A 45 3.123 0.259 -7.217 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.639 -0.461 -6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.314 -0.390 -9.876 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.764 -2.609 -10.870 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.635 -1.556 -11.832 1.00 0.00 H new ATOM 737 N THR A 46 4.659 -3.244 -5.695 1.00 0.00 N ATOM 738 CA THR A 46 5.425 -4.516 -5.665 1.00 0.00 C ATOM 739 C THR A 46 4.654 -5.525 -4.808 1.00 0.00 C ATOM 740 O THR A 46 4.724 -6.719 -5.014 1.00 0.00 O ATOM 741 CB THR A 46 6.780 -4.133 -5.042 1.00 0.00 C ATOM 742 OG1 THR A 46 7.760 -4.056 -6.067 1.00 0.00 O ATOM 743 CG2 THR A 46 7.222 -5.168 -4.002 1.00 0.00 C ATOM 0 H THR A 46 4.967 -2.539 -5.025 1.00 0.00 H new ATOM 0 HA THR A 46 5.569 -4.978 -6.642 1.00 0.00 H new ATOM 0 HB THR A 46 6.671 -3.169 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.624 -3.811 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.182 -4.872 -3.579 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.478 -5.226 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.321 -6.143 -4.479 1.00 0.00 H new ATOM 751 N LEU A 47 3.911 -5.040 -3.851 1.00 0.00 N ATOM 752 CA LEU A 47 3.122 -5.949 -2.979 1.00 0.00 C ATOM 753 C LEU A 47 1.881 -6.444 -3.729 1.00 0.00 C ATOM 754 O LEU A 47 1.512 -7.598 -3.638 1.00 0.00 O ATOM 755 CB LEU A 47 2.733 -5.093 -1.774 1.00 0.00 C ATOM 756 CG LEU A 47 3.615 -5.469 -0.583 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.322 -4.528 0.588 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.319 -6.909 -0.162 1.00 0.00 C ATOM 0 H LEU A 47 3.818 -4.047 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 47 3.680 -6.836 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.852 -4.036 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.683 -5.248 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 47 4.663 -5.381 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.951 -4.797 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.533 -3.501 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.273 -4.616 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.948 -7.176 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.270 -6.997 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.527 -7.582 -0.994 1.00 0.00 H new ATOM 770 N LYS A 48 1.242 -5.588 -4.486 1.00 0.00 N ATOM 771 CA LYS A 48 0.041 -6.034 -5.248 1.00 0.00 C ATOM 772 C LYS A 48 0.475 -6.952 -6.396 1.00 0.00 C ATOM 773 O LYS A 48 -0.266 -7.808 -6.840 1.00 0.00 O ATOM 774 CB LYS A 48 -0.613 -4.753 -5.785 1.00 0.00 C ATOM 775 CG LYS A 48 0.315 -4.061 -6.786 1.00 0.00 C ATOM 776 CD LYS A 48 -0.408 -3.909 -8.128 1.00 0.00 C ATOM 777 CE LYS A 48 -0.066 -5.101 -9.028 1.00 0.00 C ATOM 778 NZ LYS A 48 0.187 -4.524 -10.382 1.00 0.00 N ATOM 0 H LYS A 48 1.499 -4.608 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.657 -6.597 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.561 -4.995 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.837 -4.077 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.612 -3.083 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.227 -4.643 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.485 -3.856 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.111 -2.978 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.811 -5.632 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.885 -5.819 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.681 -5.224 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.719 -4.274 -10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.775 -3.671 -10.292 1.00 0.00 H new ATOM 792 N GLY A 49 1.677 -6.783 -6.878 1.00 0.00 N ATOM 793 CA GLY A 49 2.163 -7.645 -7.993 1.00 0.00 C ATOM 794 C GLY A 49 2.497 -9.042 -7.462 1.00 0.00 C ATOM 795 O GLY A 49 2.221 -10.038 -8.099 1.00 0.00 O ATOM 0 H GLY A 49 2.343 -6.085 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.402 -7.714 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.046 -7.199 -8.451 1.00 0.00 H new ATOM 799 N MET A 50 3.092 -9.126 -6.301 1.00 0.00 N ATOM 800 CA MET A 50 3.441 -10.465 -5.742 1.00 0.00 C ATOM 801 C MET A 50 2.190 -11.147 -5.178 1.00 0.00 C ATOM 802 O MET A 50 2.184 -12.333 -4.916 1.00 0.00 O ATOM 803 CB MET A 50 4.454 -10.186 -4.633 1.00 0.00 C ATOM 804 CG MET A 50 3.779 -9.394 -3.517 1.00 0.00 C ATOM 805 SD MET A 50 4.442 -9.922 -1.916 1.00 0.00 S ATOM 806 CE MET A 50 5.738 -8.666 -1.780 1.00 0.00 C ATOM 0 H MET A 50 3.350 -8.330 -5.718 1.00 0.00 H new ATOM 0 HA MET A 50 3.849 -11.134 -6.500 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.848 -11.124 -4.241 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.300 -9.626 -5.031 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.950 -8.327 -3.659 1.00 0.00 H new ATOM 0 HG3 MET A 50 2.701 -9.551 -3.546 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.714 -9.134 -1.911 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.593 -7.908 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.689 -8.198 -0.797 1.00 0.00 H new ATOM 816 N ALA A 51 1.126 -10.412 -5.005 1.00 0.00 N ATOM 817 CA ALA A 51 -0.124 -11.025 -4.476 1.00 0.00 C ATOM 818 C ALA A 51 -0.917 -11.616 -5.637 1.00 0.00 C ATOM 819 O ALA A 51 -1.688 -12.541 -5.476 1.00 0.00 O ATOM 820 CB ALA A 51 -0.889 -9.877 -3.818 1.00 0.00 C ATOM 0 H ALA A 51 1.069 -9.414 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 51 0.064 -11.829 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.824 -10.253 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.285 -9.448 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.104 -9.110 -4.562 1.00 0.00 H new ATOM 826 N GLY A 52 -0.714 -11.094 -6.815 1.00 0.00 N ATOM 827 CA GLY A 52 -1.430 -11.628 -8.001 1.00 0.00 C ATOM 828 C GLY A 52 -0.740 -12.917 -8.440 1.00 0.00 C ATOM 829 O GLY A 52 -1.344 -13.798 -9.019 1.00 0.00 O ATOM 0 H GLY A 52 -0.080 -10.318 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.475 -11.821 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.420 -10.898 -8.810 1.00 0.00 H new ATOM 833 N THR A 53 0.527 -13.034 -8.150 1.00 0.00 N ATOM 834 CA THR A 53 1.275 -14.263 -8.529 1.00 0.00 C ATOM 835 C THR A 53 0.891 -15.403 -7.585 1.00 0.00 C ATOM 836 O THR A 53 1.106 -16.566 -7.866 1.00 0.00 O ATOM 837 CB THR A 53 2.755 -13.870 -8.386 1.00 0.00 C ATOM 838 OG1 THR A 53 3.269 -13.498 -9.657 1.00 0.00 O ATOM 839 CG2 THR A 53 3.577 -15.035 -7.829 1.00 0.00 C ATOM 0 H THR A 53 1.078 -12.326 -7.664 1.00 0.00 H new ATOM 0 HA THR A 53 1.057 -14.614 -9.538 1.00 0.00 H new ATOM 0 HB THR A 53 2.826 -13.032 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.212 -13.246 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.620 -14.733 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.192 -15.316 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.504 -15.887 -8.505 1.00 0.00 H new ATOM 847 N MET A 54 0.316 -15.065 -6.476 1.00 0.00 N ATOM 848 CA MET A 54 -0.106 -16.107 -5.497 1.00 0.00 C ATOM 849 C MET A 54 -1.575 -16.456 -5.713 1.00 0.00 C ATOM 850 O MET A 54 -2.152 -17.247 -4.995 1.00 0.00 O ATOM 851 CB MET A 54 0.093 -15.470 -4.124 1.00 0.00 C ATOM 852 CG MET A 54 0.264 -16.569 -3.073 1.00 0.00 C ATOM 853 SD MET A 54 2.018 -16.969 -2.895 1.00 0.00 S ATOM 854 CE MET A 54 2.594 -15.286 -2.572 1.00 0.00 C ATOM 0 H MET A 54 0.115 -14.105 -6.197 1.00 0.00 H new ATOM 0 HA MET A 54 0.465 -17.029 -5.602 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.970 -14.823 -4.135 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.763 -14.843 -3.874 1.00 0.00 H new ATOM 0 HG2 MET A 54 -0.143 -16.239 -2.117 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.294 -17.458 -3.367 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.167 -15.269 -1.645 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.226 -14.953 -3.395 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.737 -14.619 -2.481 1.00 0.00 H new ATOM 864 N GLY A 55 -2.183 -15.859 -6.693 1.00 0.00 N ATOM 865 CA GLY A 55 -3.619 -16.139 -6.960 1.00 0.00 C ATOM 866 C GLY A 55 -4.475 -15.316 -5.997 1.00 0.00 C ATOM 867 O GLY A 55 -5.686 -15.416 -5.989 1.00 0.00 O ATOM 0 H GLY A 55 -1.748 -15.186 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.866 -15.888 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.825 -17.202 -6.833 1.00 0.00 H new ATOM 871 N PHE A 56 -3.855 -14.501 -5.183 1.00 0.00 N ATOM 872 CA PHE A 56 -4.640 -13.673 -4.225 1.00 0.00 C ATOM 873 C PHE A 56 -4.801 -12.255 -4.769 1.00 0.00 C ATOM 874 O PHE A 56 -4.455 -11.289 -4.119 1.00 0.00 O ATOM 875 CB PHE A 56 -3.813 -13.659 -2.939 1.00 0.00 C ATOM 876 CG PHE A 56 -3.838 -15.027 -2.303 1.00 0.00 C ATOM 877 CD1 PHE A 56 -5.063 -15.641 -2.012 1.00 0.00 C ATOM 878 CD2 PHE A 56 -2.638 -15.680 -2.001 1.00 0.00 C ATOM 879 CE1 PHE A 56 -5.085 -16.910 -1.418 1.00 0.00 C ATOM 880 CE2 PHE A 56 -2.660 -16.949 -1.409 1.00 0.00 C ATOM 881 CZ PHE A 56 -3.885 -17.563 -1.118 1.00 0.00 C ATOM 0 H PHE A 56 -2.844 -14.375 -5.142 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.642 -14.070 -4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.786 -13.368 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.212 -12.918 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.989 -15.137 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.694 -15.205 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.029 -17.384 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.734 -17.454 -1.177 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.903 -18.542 -0.662 1.00 0.00 H new ATOM 891 N SER A 57 -5.323 -12.116 -5.957 1.00 0.00 N ATOM 892 CA SER A 57 -5.500 -10.752 -6.527 1.00 0.00 C ATOM 893 C SER A 57 -6.477 -9.964 -5.669 1.00 0.00 C ATOM 894 O SER A 57 -6.441 -8.752 -5.610 1.00 0.00 O ATOM 895 CB SER A 57 -6.062 -10.966 -7.930 1.00 0.00 C ATOM 896 OG SER A 57 -5.477 -12.131 -8.497 1.00 0.00 O ATOM 0 H SER A 57 -5.633 -12.883 -6.554 1.00 0.00 H new ATOM 0 HA SER A 57 -4.567 -10.189 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.146 -11.073 -7.888 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.851 -10.098 -8.555 1.00 0.00 H new ATOM 0 HG SER A 57 -6.112 -12.876 -8.442 1.00 0.00 H new ATOM 902 N SER A 58 -7.330 -10.656 -4.985 1.00 0.00 N ATOM 903 CA SER A 58 -8.310 -9.977 -4.100 1.00 0.00 C ATOM 904 C SER A 58 -7.539 -9.170 -3.068 1.00 0.00 C ATOM 905 O SER A 58 -7.946 -8.103 -2.653 1.00 0.00 O ATOM 906 CB SER A 58 -9.099 -11.105 -3.435 1.00 0.00 C ATOM 907 OG SER A 58 -9.966 -11.700 -4.393 1.00 0.00 O ATOM 0 H SER A 58 -7.394 -11.674 -4.999 1.00 0.00 H new ATOM 0 HA SER A 58 -8.977 -9.297 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.416 -11.853 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.677 -10.715 -2.597 1.00 0.00 H new ATOM 0 HG SER A 58 -10.472 -12.425 -3.970 1.00 0.00 H new ATOM 913 N MET A 59 -6.403 -9.672 -2.672 1.00 0.00 N ATOM 914 CA MET A 59 -5.567 -8.942 -1.691 1.00 0.00 C ATOM 915 C MET A 59 -4.545 -8.100 -2.450 1.00 0.00 C ATOM 916 O MET A 59 -4.007 -7.137 -1.941 1.00 0.00 O ATOM 917 CB MET A 59 -4.878 -10.028 -0.862 1.00 0.00 C ATOM 918 CG MET A 59 -3.866 -9.385 0.089 1.00 0.00 C ATOM 919 SD MET A 59 -2.561 -10.577 0.476 1.00 0.00 S ATOM 920 CE MET A 59 -2.054 -10.911 -1.229 1.00 0.00 C ATOM 0 H MET A 59 -6.019 -10.562 -2.990 1.00 0.00 H new ATOM 0 HA MET A 59 -6.141 -8.270 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.619 -10.591 -0.294 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.375 -10.737 -1.519 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.436 -8.494 -0.369 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.364 -9.064 1.004 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.382 -11.910 -1.517 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.506 -10.175 -1.894 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.968 -10.850 -1.304 1.00 0.00 H new ATOM 930 N ALA A 60 -4.292 -8.454 -3.681 1.00 0.00 N ATOM 931 CA ALA A 60 -3.323 -7.676 -4.497 1.00 0.00 C ATOM 932 C ALA A 60 -4.008 -6.426 -5.034 1.00 0.00 C ATOM 933 O ALA A 60 -3.398 -5.386 -5.176 1.00 0.00 O ATOM 934 CB ALA A 60 -2.920 -8.612 -5.634 1.00 0.00 C ATOM 0 H ALA A 60 -4.717 -9.251 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.453 -7.348 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.203 -8.109 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.465 -9.512 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.803 -8.884 -6.211 1.00 0.00 H new ATOM 940 N LYS A 61 -5.283 -6.503 -5.306 1.00 0.00 N ATOM 941 CA LYS A 61 -5.987 -5.296 -5.798 1.00 0.00 C ATOM 942 C LYS A 61 -6.025 -4.290 -4.660 1.00 0.00 C ATOM 943 O LYS A 61 -6.067 -3.092 -4.860 1.00 0.00 O ATOM 944 CB LYS A 61 -7.390 -5.769 -6.171 1.00 0.00 C ATOM 945 CG LYS A 61 -7.293 -6.827 -7.269 1.00 0.00 C ATOM 946 CD LYS A 61 -8.380 -7.876 -7.051 1.00 0.00 C ATOM 947 CE LYS A 61 -9.736 -7.284 -7.429 1.00 0.00 C ATOM 948 NZ LYS A 61 -10.612 -8.460 -7.682 1.00 0.00 N ATOM 0 H LYS A 61 -5.857 -7.341 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.507 -4.823 -6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.891 -6.182 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.991 -4.927 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.409 -6.364 -8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.309 -7.296 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.175 -8.760 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.388 -8.197 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.133 -6.662 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.658 -6.652 -8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.563 -8.134 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.213 -9.030 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.673 -9.039 -6.820 1.00 0.00 H new ATOM 962 N LEU A 62 -5.975 -4.785 -3.456 1.00 0.00 N ATOM 963 CA LEU A 62 -5.964 -3.888 -2.278 1.00 0.00 C ATOM 964 C LEU A 62 -4.645 -3.136 -2.258 1.00 0.00 C ATOM 965 O LEU A 62 -4.591 -1.952 -2.008 1.00 0.00 O ATOM 966 CB LEU A 62 -6.054 -4.821 -1.075 1.00 0.00 C ATOM 967 CG LEU A 62 -7.457 -5.405 -0.996 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.470 -6.572 -0.008 1.00 0.00 C ATOM 969 CD2 LEU A 62 -8.422 -4.317 -0.521 1.00 0.00 C ATOM 0 H LEU A 62 -5.941 -5.781 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.774 -3.159 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.319 -5.621 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.822 -4.276 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.764 -5.765 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.475 -6.990 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.775 -7.342 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.169 -6.218 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.431 -4.726 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.115 -3.963 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.409 -3.486 -1.226 1.00 0.00 H new ATOM 981 N CYS A 63 -3.578 -3.827 -2.540 1.00 0.00 N ATOM 982 CA CYS A 63 -2.244 -3.164 -2.556 1.00 0.00 C ATOM 983 C CYS A 63 -2.160 -2.236 -3.764 1.00 0.00 C ATOM 984 O CYS A 63 -1.459 -1.245 -3.758 1.00 0.00 O ATOM 985 CB CYS A 63 -1.231 -4.304 -2.671 1.00 0.00 C ATOM 986 SG CYS A 63 -0.925 -5.006 -1.031 1.00 0.00 S ATOM 0 H CYS A 63 -3.571 -4.823 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.059 -2.560 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.609 -5.074 -3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.299 -3.935 -3.100 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.427 -6.200 -1.156 1.00 0.00 H new ATOM 992 N HIS A 64 -2.894 -2.543 -4.794 1.00 0.00 N ATOM 993 CA HIS A 64 -2.887 -1.672 -6.002 1.00 0.00 C ATOM 994 C HIS A 64 -3.837 -0.501 -5.772 1.00 0.00 C ATOM 995 O HIS A 64 -3.772 0.516 -6.433 1.00 0.00 O ATOM 996 CB HIS A 64 -3.390 -2.563 -7.138 1.00 0.00 C ATOM 997 CG HIS A 64 -2.891 -2.032 -8.453 1.00 0.00 C ATOM 998 ND1 HIS A 64 -2.659 -0.682 -8.665 1.00 0.00 N ATOM 999 CD2 HIS A 64 -2.582 -2.656 -9.637 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -2.230 -0.539 -9.932 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -2.165 -1.711 -10.570 1.00 0.00 N ATOM 0 H HIS A 64 -3.500 -3.361 -4.853 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.903 -1.261 -6.227 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.043 -3.586 -6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.480 -2.592 -7.136 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.790 0.066 -7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.652 -3.719 -9.817 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.970 0.409 -10.379 1.00 0.00 H new ATOM 1009 N THR A 65 -4.717 -0.647 -4.823 1.00 0.00 N ATOM 1010 CA THR A 65 -5.683 0.436 -4.514 1.00 0.00 C ATOM 1011 C THR A 65 -4.995 1.526 -3.686 1.00 0.00 C ATOM 1012 O THR A 65 -5.035 2.694 -4.021 1.00 0.00 O ATOM 1013 CB THR A 65 -6.775 -0.268 -3.703 1.00 0.00 C ATOM 1014 OG1 THR A 65 -7.686 -0.913 -4.585 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.524 0.747 -2.847 1.00 0.00 C ATOM 0 H THR A 65 -4.807 -1.481 -4.243 1.00 0.00 H new ATOM 0 HA THR A 65 -6.082 0.928 -5.401 1.00 0.00 H new ATOM 0 HB THR A 65 -6.312 -1.011 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.320 -1.781 -4.856 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.299 0.238 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.827 1.232 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.983 1.498 -3.491 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.350 1.153 -2.614 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.651 2.175 -1.783 1.00 0.00 C ATOM 1025 C LEU A 66 -2.602 2.874 -2.644 1.00 0.00 C ATOM 1026 O LEU A 66 -2.442 4.074 -2.596 1.00 0.00 O ATOM 1027 CB LEU A 66 -2.968 1.401 -0.642 1.00 0.00 C ATOM 1028 CG LEU A 66 -3.877 0.285 -0.113 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -3.461 -0.079 1.314 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -5.338 0.744 -0.112 1.00 0.00 C ATOM 0 H LEU A 66 -4.277 0.192 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.334 2.929 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.031 0.973 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.718 2.086 0.168 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.778 -0.586 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.107 -0.872 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.427 -0.422 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.553 0.798 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.971 -0.059 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.443 1.621 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.641 0.997 -1.128 1.00 0.00 H new ATOM 1042 N GLU A 67 -1.893 2.116 -3.441 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.842 2.702 -4.319 1.00 0.00 C ATOM 1044 C GLU A 67 -1.456 3.667 -5.315 1.00 0.00 C ATOM 1045 O GLU A 67 -0.839 4.631 -5.721 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.243 1.507 -5.058 1.00 0.00 C ATOM 1047 CG GLU A 67 0.717 2.003 -6.144 1.00 0.00 C ATOM 1048 CD GLU A 67 0.014 1.972 -7.502 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -1.137 2.372 -7.562 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.640 1.550 -8.461 1.00 0.00 O ATOM 0 H GLU A 67 -2.001 1.105 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.099 3.260 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.287 0.862 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.036 0.908 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.047 3.017 -5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.608 1.376 -6.170 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.665 3.425 -5.712 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.298 4.343 -6.678 1.00 0.00 C ATOM 1059 C ASN A 68 -3.339 5.731 -6.068 1.00 0.00 C ATOM 1060 O ASN A 68 -3.021 6.713 -6.700 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.707 3.812 -6.862 1.00 0.00 C ATOM 1062 CG ASN A 68 -4.809 3.068 -8.195 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -5.251 1.937 -8.241 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -4.415 3.659 -9.290 1.00 0.00 N ATOM 0 H ASN A 68 -3.238 2.636 -5.411 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.764 4.401 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.964 3.143 -6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.422 4.635 -6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.478 3.172 -10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.044 4.608 -9.252 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.709 5.806 -4.823 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.757 7.126 -4.144 1.00 0.00 C ATOM 1073 C ILE A 69 -2.359 7.673 -4.082 1.00 0.00 C ATOM 1074 O ILE A 69 -2.110 8.851 -4.225 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.306 6.835 -2.753 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.808 6.599 -2.864 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.046 8.028 -1.829 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.075 5.266 -3.554 1.00 0.00 C ATOM 0 H ILE A 69 -3.980 5.010 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.377 7.862 -4.655 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.814 5.954 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.259 6.602 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.271 7.409 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.441 7.812 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.973 8.208 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.538 8.914 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.150 5.104 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.639 5.280 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.627 4.460 -2.973 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.448 6.796 -3.908 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.022 7.205 -3.869 1.00 0.00 C ATOM 1092 C LEU A 70 0.425 7.542 -5.279 1.00 0.00 C ATOM 1093 O LEU A 70 1.419 8.208 -5.491 1.00 0.00 O ATOM 1094 CB LEU A 70 0.753 6.009 -3.306 1.00 0.00 C ATOM 1095 CG LEU A 70 0.150 5.560 -1.967 1.00 0.00 C ATOM 1096 CD1 LEU A 70 1.221 4.855 -1.140 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.375 6.768 -1.181 1.00 0.00 C ATOM 0 H LEU A 70 -1.617 5.797 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 70 0.147 8.085 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.728 5.184 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.800 6.279 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.678 4.880 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.795 4.536 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.587 3.984 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.048 5.541 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.799 6.430 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.445 7.459 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.145 7.274 -1.763 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.327 7.115 -6.248 1.00 0.00 N ATOM 1110 CA ASP A 71 0.037 7.444 -7.649 1.00 0.00 C ATOM 1111 C ASP A 71 -0.599 8.776 -8.017 1.00 0.00 C ATOM 1112 O ASP A 71 0.020 9.623 -8.624 1.00 0.00 O ATOM 1113 CB ASP A 71 -0.514 6.301 -8.503 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.009 6.446 -9.939 1.00 0.00 C ATOM 1115 OD1 ASP A 71 0.088 7.570 -10.402 1.00 0.00 O ATOM 1116 OD2 ASP A 71 0.272 5.429 -10.551 1.00 0.00 O ATOM 0 H ASP A 71 -1.172 6.556 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 71 1.112 7.542 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.200 5.342 -8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.604 6.314 -8.487 1.00 0.00 H new ATOM 1121 N LYS A 72 -1.812 9.001 -7.611 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.417 10.323 -7.906 1.00 0.00 C ATOM 1123 C LYS A 72 -1.834 11.300 -6.898 1.00 0.00 C ATOM 1124 O LYS A 72 -1.688 12.478 -7.155 1.00 0.00 O ATOM 1125 CB LYS A 72 -3.943 10.195 -7.767 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.337 8.799 -7.304 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.833 8.677 -7.298 1.00 0.00 C ATOM 1128 CE LYS A 72 -6.268 8.061 -5.972 1.00 0.00 C ATOM 1129 NZ LYS A 72 -7.727 7.804 -6.122 1.00 0.00 N ATOM 0 H LYS A 72 -2.400 8.344 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.204 10.675 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.310 10.934 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.418 10.411 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.903 8.049 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.942 8.610 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.293 9.657 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.165 8.056 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.724 7.138 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.071 8.737 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.097 7.380 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.220 8.701 -6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.885 7.152 -6.917 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.446 10.786 -5.764 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.803 11.640 -4.736 1.00 0.00 C ATOM 1145 C ALA A 73 0.461 12.238 -5.342 1.00 0.00 C ATOM 1146 O ALA A 73 0.787 13.388 -5.126 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.428 10.688 -3.601 1.00 0.00 C ATOM 0 H ALA A 73 -1.549 9.804 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.446 12.448 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.054 11.249 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.328 10.208 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.257 9.928 -3.975 1.00 0.00 H new ATOM 1153 N ARG A 74 1.172 11.457 -6.116 1.00 0.00 N ATOM 1154 CA ARG A 74 2.407 11.983 -6.750 1.00 0.00 C ATOM 1155 C ARG A 74 2.051 12.590 -8.108 1.00 0.00 C ATOM 1156 O ARG A 74 2.799 13.362 -8.676 1.00 0.00 O ATOM 1157 CB ARG A 74 3.351 10.780 -6.886 1.00 0.00 C ATOM 1158 CG ARG A 74 3.047 10.000 -8.166 1.00 0.00 C ATOM 1159 CD ARG A 74 3.902 8.733 -8.205 1.00 0.00 C ATOM 1160 NE ARG A 74 5.234 9.184 -8.693 1.00 0.00 N ATOM 1161 CZ ARG A 74 5.582 8.964 -9.930 1.00 0.00 C ATOM 1162 NH1 ARG A 74 4.870 9.458 -10.906 1.00 0.00 N ATOM 1163 NH2 ARG A 74 6.644 8.251 -10.192 1.00 0.00 N ATOM 0 H ARG A 74 0.949 10.486 -6.332 1.00 0.00 H new ATOM 0 HA ARG A 74 2.885 12.770 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.386 11.122 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.243 10.126 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.989 9.739 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.254 10.618 -9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.977 8.276 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.470 7.985 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 74 5.874 9.665 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.041 10.016 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.142 9.286 -11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.201 7.866 -9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.917 8.079 -11.160 1.00 0.00 H new ATOM 1177 N ASN A 75 0.894 12.262 -8.618 1.00 0.00 N ATOM 1178 CA ASN A 75 0.465 12.837 -9.924 1.00 0.00 C ATOM 1179 C ASN A 75 -0.256 14.168 -9.682 1.00 0.00 C ATOM 1180 O ASN A 75 -0.699 14.822 -10.606 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.490 11.806 -10.521 1.00 0.00 C ATOM 1182 CG ASN A 75 -0.626 12.047 -12.025 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -0.061 11.323 -12.820 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -1.355 13.042 -12.451 1.00 0.00 N ATOM 0 H ASN A 75 0.228 11.621 -8.186 1.00 0.00 H new ATOM 0 HA ASN A 75 1.303 13.037 -10.591 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.117 10.799 -10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.466 11.878 -10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.451 13.212 -13.452 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.829 13.650 -11.783 1.00 0.00 H new ATOM 1191 N SER A 76 -0.371 14.567 -8.438 1.00 0.00 N ATOM 1192 CA SER A 76 -1.052 15.852 -8.098 1.00 0.00 C ATOM 1193 C SER A 76 -2.575 15.713 -8.199 1.00 0.00 C ATOM 1194 O SER A 76 -3.274 16.679 -8.435 1.00 0.00 O ATOM 1195 CB SER A 76 -0.536 16.877 -9.110 1.00 0.00 C ATOM 1196 OG SER A 76 -0.094 18.037 -8.417 1.00 0.00 O ATOM 0 H SER A 76 -0.016 14.048 -7.635 1.00 0.00 H new ATOM 0 HA SER A 76 -0.837 16.154 -7.073 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.283 16.452 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.325 17.139 -9.815 1.00 0.00 H new ATOM 0 HG SER A 76 0.239 18.696 -9.061 1.00 0.00 H new ATOM 1202 N GLU A 77 -3.107 14.532 -8.006 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.587 14.382 -8.080 1.00 0.00 C ATOM 1204 C GLU A 77 -5.153 14.295 -6.670 1.00 0.00 C ATOM 1205 O GLU A 77 -6.260 14.716 -6.399 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.882 13.081 -8.843 1.00 0.00 C ATOM 1207 CG GLU A 77 -3.783 12.754 -9.864 1.00 0.00 C ATOM 1208 CD GLU A 77 -4.208 13.248 -11.248 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -4.817 14.303 -11.318 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -3.919 12.562 -12.215 1.00 0.00 O ATOM 0 H GLU A 77 -2.587 13.678 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.042 15.232 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.976 12.258 -8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.839 13.170 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.846 13.227 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.604 11.679 -9.889 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.390 13.752 -5.774 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.861 13.628 -4.365 1.00 0.00 C ATOM 1219 C ILE A 78 -3.676 13.673 -3.400 1.00 0.00 C ATOM 1220 O ILE A 78 -2.588 14.084 -3.751 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.543 12.263 -4.288 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.584 11.192 -4.790 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.806 12.261 -5.151 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.973 10.469 -3.597 1.00 0.00 C ATOM 0 H ILE A 78 -3.455 13.385 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.533 14.441 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.817 12.056 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.112 10.484 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.800 11.644 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.286 11.284 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.494 13.026 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.539 12.471 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.285 9.701 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.431 11.183 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.764 10.005 -3.009 1.00 0.00 H new ATOM 1236 N LYS A 79 -3.882 13.245 -2.185 1.00 0.00 N ATOM 1237 CA LYS A 79 -2.772 13.252 -1.192 1.00 0.00 C ATOM 1238 C LYS A 79 -3.207 12.564 0.095 1.00 0.00 C ATOM 1239 O LYS A 79 -4.240 11.933 0.166 1.00 0.00 O ATOM 1240 CB LYS A 79 -2.468 14.727 -0.920 1.00 0.00 C ATOM 1241 CG LYS A 79 -3.585 15.350 -0.079 1.00 0.00 C ATOM 1242 CD LYS A 79 -4.786 15.627 -0.975 1.00 0.00 C ATOM 1243 CE LYS A 79 -6.004 14.864 -0.455 1.00 0.00 C ATOM 1244 NZ LYS A 79 -7.014 15.916 -0.151 1.00 0.00 N ATOM 0 H LYS A 79 -4.773 12.890 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.898 12.719 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.515 14.819 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.369 15.265 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.867 14.677 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.238 16.275 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.997 16.696 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.565 15.325 -1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.377 14.161 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.757 14.285 0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.881 15.470 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.633 16.566 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.234 16.447 -1.018 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.418 12.692 1.115 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.758 12.065 2.410 1.00 0.00 C ATOM 1260 C ILE A 80 -3.419 13.087 3.318 1.00 0.00 C ATOM 1261 O ILE A 80 -2.787 13.761 4.107 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.430 11.617 2.959 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -1.040 10.326 2.256 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.538 11.383 4.467 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -0.811 10.592 0.767 1.00 0.00 C ATOM 0 H ILE A 80 -1.540 13.212 1.106 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.460 11.236 2.320 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.673 12.382 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.135 9.917 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.825 9.580 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.572 11.059 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.834 12.310 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.284 10.613 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.532 9.663 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.727 10.981 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.011 11.322 0.647 1.00 0.00 H new ATOM 1277 N THR A 81 -4.691 13.193 3.187 1.00 0.00 N ATOM 1278 CA THR A 81 -5.472 14.159 4.009 1.00 0.00 C ATOM 1279 C THR A 81 -6.016 13.467 5.256 1.00 0.00 C ATOM 1280 O THR A 81 -6.995 13.892 5.834 1.00 0.00 O ATOM 1281 CB THR A 81 -6.620 14.584 3.093 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.342 15.651 3.692 1.00 0.00 O ATOM 1283 CG2 THR A 81 -7.555 13.400 2.857 1.00 0.00 C ATOM 0 H THR A 81 -5.248 12.643 2.533 1.00 0.00 H new ATOM 0 HA THR A 81 -4.874 15.004 4.351 1.00 0.00 H new ATOM 0 HB THR A 81 -6.213 14.917 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.480 15.459 4.643 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.372 13.706 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.001 12.587 2.388 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.960 13.061 3.810 1.00 0.00 H new ATOM 1291 N SER A 82 -5.401 12.383 5.658 1.00 0.00 N ATOM 1292 CA SER A 82 -5.890 11.627 6.854 1.00 0.00 C ATOM 1293 C SER A 82 -7.169 10.862 6.491 1.00 0.00 C ATOM 1294 O SER A 82 -7.668 10.063 7.259 1.00 0.00 O ATOM 1295 CB SER A 82 -6.165 12.679 7.926 1.00 0.00 C ATOM 1296 OG SER A 82 -6.100 12.073 9.210 1.00 0.00 O ATOM 0 H SER A 82 -4.577 11.986 5.207 1.00 0.00 H new ATOM 0 HA SER A 82 -5.165 10.893 7.206 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.435 13.486 7.855 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.148 13.124 7.771 1.00 0.00 H new ATOM 0 HG SER A 82 -6.275 12.747 9.899 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.683 11.082 5.309 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.902 10.360 4.864 1.00 0.00 C ATOM 1304 C ASP A 83 -8.490 9.373 3.785 1.00 0.00 C ATOM 1305 O ASP A 83 -8.858 8.215 3.812 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.822 11.435 4.291 1.00 0.00 C ATOM 1307 CG ASP A 83 -11.280 11.084 4.600 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -11.566 9.908 4.752 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -12.084 11.997 4.677 1.00 0.00 O ATOM 0 H ASP A 83 -7.302 11.740 4.628 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.400 9.810 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.573 12.406 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.677 11.515 3.214 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.688 9.810 2.849 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.224 8.866 1.805 1.00 0.00 C ATOM 1316 C LEU A 84 -6.450 7.763 2.511 1.00 0.00 C ATOM 1317 O LEU A 84 -6.455 6.616 2.112 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.331 9.687 0.876 1.00 0.00 C ATOM 1319 CG LEU A 84 -7.163 10.803 0.232 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -6.432 11.344 -0.993 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -8.526 10.252 -0.199 1.00 0.00 C ATOM 0 H LEU A 84 -7.342 10.766 2.767 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.026 8.404 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.499 10.114 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.901 9.047 0.106 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.307 11.603 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.024 12.137 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.463 11.742 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.285 10.540 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.113 11.049 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.382 9.448 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.055 9.866 0.673 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.823 8.113 3.601 1.00 0.00 N ATOM 1334 CA LEU A 85 -5.083 7.103 4.400 1.00 0.00 C ATOM 1335 C LEU A 85 -6.100 6.224 5.117 1.00 0.00 C ATOM 1336 O LEU A 85 -6.060 5.014 5.054 1.00 0.00 O ATOM 1337 CB LEU A 85 -4.303 7.906 5.439 1.00 0.00 C ATOM 1338 CG LEU A 85 -3.065 8.536 4.814 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -2.134 9.012 5.931 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.336 7.502 3.950 1.00 0.00 C ATOM 0 H LEU A 85 -5.793 9.063 3.972 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.431 6.477 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.941 8.684 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.010 7.256 6.263 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.359 9.379 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.244 9.465 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.651 9.748 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.843 8.162 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.451 7.958 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.036 6.657 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.001 7.155 3.159 1.00 0.00 H new ATOM 1352 N ASP A 86 -7.014 6.847 5.806 1.00 0.00 N ATOM 1353 CA ASP A 86 -8.055 6.076 6.544 1.00 0.00 C ATOM 1354 C ASP A 86 -8.542 4.909 5.691 1.00 0.00 C ATOM 1355 O ASP A 86 -8.769 3.820 6.180 1.00 0.00 O ATOM 1356 CB ASP A 86 -9.188 7.071 6.792 1.00 0.00 C ATOM 1357 CG ASP A 86 -10.107 6.536 7.893 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -9.665 6.475 9.029 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -11.236 6.196 7.580 1.00 0.00 O ATOM 0 H ASP A 86 -7.086 7.861 5.891 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.676 5.655 7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.779 8.038 7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.755 7.228 5.875 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.692 5.122 4.414 1.00 0.00 N ATOM 1365 CA LYS A 87 -9.152 4.014 3.532 1.00 0.00 C ATOM 1366 C LYS A 87 -7.958 3.147 3.144 1.00 0.00 C ATOM 1367 O LYS A 87 -8.019 1.934 3.186 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.755 4.699 2.307 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.953 5.547 2.737 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.876 4.714 3.629 1.00 0.00 C ATOM 1371 CE LYS A 87 -13.197 5.458 3.834 1.00 0.00 C ATOM 1372 NZ LYS A 87 -12.920 6.440 4.920 1.00 0.00 N ATOM 0 H LYS A 87 -8.517 6.011 3.945 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.879 3.362 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.007 5.326 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.067 3.953 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.611 6.431 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.497 5.898 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.061 3.742 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.398 4.528 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.514 5.959 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.997 4.773 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.817 6.832 5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.422 5.964 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.327 7.210 4.549 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.861 3.758 2.791 1.00 0.00 N ATOM 1387 CA ILE A 88 -5.660 2.960 2.433 1.00 0.00 C ATOM 1388 C ILE A 88 -5.251 2.140 3.657 1.00 0.00 C ATOM 1389 O ILE A 88 -5.024 0.948 3.580 1.00 0.00 O ATOM 1390 CB ILE A 88 -4.596 4.003 2.055 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -4.566 4.153 0.541 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.210 3.578 2.548 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -4.566 5.638 0.176 1.00 0.00 C ATOM 0 H ILE A 88 -6.746 4.770 2.736 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.816 2.259 1.613 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.853 4.951 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.679 3.668 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.431 3.659 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.476 4.334 2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.226 3.473 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.940 2.624 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.544 5.746 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.466 6.109 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.687 6.118 0.606 1.00 0.00 H new ATOM 1405 N PHE A 89 -5.181 2.779 4.789 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.816 2.057 6.038 1.00 0.00 C ATOM 1407 C PHE A 89 -5.928 1.080 6.393 1.00 0.00 C ATOM 1408 O PHE A 89 -5.723 0.098 7.077 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.674 3.146 7.100 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.296 3.074 7.710 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -2.163 3.203 6.897 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -3.150 2.876 9.089 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -0.885 3.134 7.463 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -1.871 2.808 9.654 1.00 0.00 C ATOM 1415 CZ PHE A 89 -0.739 2.937 8.841 1.00 0.00 C ATOM 0 H PHE A 89 -5.362 3.776 4.904 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.897 1.478 5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.836 4.127 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.433 3.018 7.872 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.275 3.356 5.834 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.024 2.776 9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.011 3.233 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.758 2.656 10.717 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.248 2.885 9.277 1.00 0.00 H new ATOM 1425 N ALA A 90 -7.097 1.332 5.891 1.00 0.00 N ATOM 1426 CA ALA A 90 -8.234 0.412 6.143 1.00 0.00 C ATOM 1427 C ALA A 90 -8.085 -0.765 5.189 1.00 0.00 C ATOM 1428 O ALA A 90 -8.459 -1.882 5.487 1.00 0.00 O ATOM 1429 CB ALA A 90 -9.493 1.225 5.829 1.00 0.00 C ATOM 0 H ALA A 90 -7.317 2.142 5.312 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.276 0.028 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.376 0.607 5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.535 2.098 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.466 1.550 4.789 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.497 -0.516 4.050 1.00 0.00 N ATOM 1436 CA GLY A 91 -7.267 -1.609 3.075 1.00 0.00 C ATOM 1437 C GLY A 91 -6.133 -2.470 3.619 1.00 0.00 C ATOM 1438 O GLY A 91 -6.174 -3.684 3.575 1.00 0.00 O ATOM 0 H GLY A 91 -7.166 0.403 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.171 -2.203 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.007 -1.203 2.097 1.00 0.00 H new ATOM 1442 N VAL A 92 -5.126 -1.838 4.165 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.989 -2.599 4.751 1.00 0.00 C ATOM 1444 C VAL A 92 -4.458 -3.282 6.038 1.00 0.00 C ATOM 1445 O VAL A 92 -3.829 -4.197 6.536 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.923 -1.540 5.049 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.960 -2.057 6.122 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -2.141 -1.234 3.771 1.00 0.00 C ATOM 0 H VAL A 92 -5.045 -0.823 4.229 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.604 -3.377 4.091 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.409 -0.633 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.205 -1.299 6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.515 -2.275 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.474 -2.966 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.382 -0.481 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.660 -2.144 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.823 -0.859 3.008 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.568 -2.845 6.577 1.00 0.00 N ATOM 1459 CA ASP A 93 -6.090 -3.467 7.828 1.00 0.00 C ATOM 1460 C ASP A 93 -6.766 -4.792 7.495 1.00 0.00 C ATOM 1461 O ASP A 93 -6.475 -5.813 8.086 1.00 0.00 O ATOM 1462 CB ASP A 93 -7.098 -2.454 8.377 1.00 0.00 C ATOM 1463 CG ASP A 93 -6.645 -1.982 9.761 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -5.484 -1.633 9.895 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -7.467 -1.980 10.662 1.00 0.00 O ATOM 0 H ASP A 93 -6.135 -2.084 6.203 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.308 -3.685 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.181 -1.604 7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.087 -2.907 8.441 1.00 0.00 H new ATOM 1470 N MET A 94 -7.640 -4.798 6.531 1.00 0.00 N ATOM 1471 CA MET A 94 -8.290 -6.076 6.149 1.00 0.00 C ATOM 1472 C MET A 94 -7.273 -6.895 5.366 1.00 0.00 C ATOM 1473 O MET A 94 -7.283 -8.110 5.375 1.00 0.00 O ATOM 1474 CB MET A 94 -9.487 -5.695 5.282 1.00 0.00 C ATOM 1475 CG MET A 94 -9.018 -4.846 4.105 1.00 0.00 C ATOM 1476 SD MET A 94 -10.134 -3.440 3.901 1.00 0.00 S ATOM 1477 CE MET A 94 -10.354 -3.620 2.120 1.00 0.00 C ATOM 0 H MET A 94 -7.930 -3.980 5.995 1.00 0.00 H new ATOM 0 HA MET A 94 -8.623 -6.668 7.002 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.986 -6.593 4.919 1.00 0.00 H new ATOM 0 HB3 MET A 94 -10.216 -5.142 5.874 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.000 -4.495 4.277 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.999 -5.445 3.194 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.465 -2.635 1.666 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.484 -4.119 1.695 1.00 0.00 H new ATOM 0 HE3 MET A 94 -11.246 -4.214 1.922 1.00 0.00 H new ATOM 1487 N ILE A 95 -6.362 -6.218 4.718 1.00 0.00 N ATOM 1488 CA ILE A 95 -5.298 -6.926 3.963 1.00 0.00 C ATOM 1489 C ILE A 95 -4.506 -7.776 4.956 1.00 0.00 C ATOM 1490 O ILE A 95 -4.138 -8.900 4.684 1.00 0.00 O ATOM 1491 CB ILE A 95 -4.440 -5.804 3.369 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -4.940 -5.471 1.962 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -2.977 -6.241 3.293 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -4.079 -4.358 1.363 1.00 0.00 C ATOM 0 H ILE A 95 -6.313 -5.200 4.682 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.665 -7.589 3.180 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.517 -4.924 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.897 -6.358 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.983 -5.157 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.378 -5.435 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.615 -6.475 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.894 -7.125 2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.436 -4.121 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.145 -3.469 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.042 -4.689 1.310 1.00 0.00 H new ATOM 1506 N THR A 96 -4.265 -7.241 6.121 1.00 0.00 N ATOM 1507 CA THR A 96 -3.529 -8.011 7.153 1.00 0.00 C ATOM 1508 C THR A 96 -4.451 -9.109 7.678 1.00 0.00 C ATOM 1509 O THR A 96 -4.055 -10.246 7.841 1.00 0.00 O ATOM 1510 CB THR A 96 -3.205 -6.994 8.250 1.00 0.00 C ATOM 1511 OG1 THR A 96 -2.088 -6.210 7.851 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.878 -7.726 9.553 1.00 0.00 C ATOM 0 H THR A 96 -4.548 -6.302 6.400 1.00 0.00 H new ATOM 0 HA THR A 96 -2.621 -8.486 6.780 1.00 0.00 H new ATOM 0 HB THR A 96 -4.067 -6.347 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.401 -5.415 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.648 -6.998 10.331 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.736 -8.325 9.859 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.017 -8.377 9.399 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.690 -8.773 7.928 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.651 -9.798 8.425 1.00 0.00 C ATOM 1522 C ARG A 97 -6.786 -10.936 7.404 1.00 0.00 C ATOM 1523 O ARG A 97 -6.684 -12.096 7.746 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.982 -9.061 8.584 1.00 0.00 C ATOM 1525 CG ARG A 97 -8.261 -8.830 10.070 1.00 0.00 C ATOM 1526 CD ARG A 97 -8.849 -7.430 10.267 1.00 0.00 C ATOM 1527 NE ARG A 97 -9.368 -7.424 11.664 1.00 0.00 N ATOM 1528 CZ ARG A 97 -10.572 -6.986 11.915 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -11.603 -7.530 11.328 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -10.746 -6.002 12.753 1.00 0.00 N ATOM 0 H ARG A 97 -6.075 -7.836 7.810 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.323 -10.247 9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.948 -8.108 8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.788 -9.643 8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.955 -9.583 10.442 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.340 -8.934 10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.091 -6.660 10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.645 -7.231 9.549 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.781 -7.763 12.426 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.469 -8.299 10.672 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.543 -7.186 11.526 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.942 -5.575 13.212 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.687 -5.660 12.949 1.00 0.00 H new ATOM 1544 N MET A 98 -6.999 -10.619 6.151 1.00 0.00 N ATOM 1545 CA MET A 98 -7.119 -11.697 5.133 1.00 0.00 C ATOM 1546 C MET A 98 -5.757 -12.366 4.970 1.00 0.00 C ATOM 1547 O MET A 98 -5.650 -13.490 4.530 1.00 0.00 O ATOM 1548 CB MET A 98 -7.574 -11.000 3.840 1.00 0.00 C ATOM 1549 CG MET A 98 -6.371 -10.405 3.103 1.00 0.00 C ATOM 1550 SD MET A 98 -6.940 -9.234 1.837 1.00 0.00 S ATOM 1551 CE MET A 98 -8.448 -10.103 1.337 1.00 0.00 C ATOM 0 H MET A 98 -7.094 -9.668 5.795 1.00 0.00 H new ATOM 0 HA MET A 98 -7.831 -12.475 5.410 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.087 -11.714 3.195 1.00 0.00 H new ATOM 0 HB3 MET A 98 -8.290 -10.213 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 98 -5.714 -9.899 3.810 1.00 0.00 H new ATOM 0 HG3 MET A 98 -5.788 -11.200 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.718 -9.809 0.323 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.276 -11.179 1.369 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.259 -9.845 2.018 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.720 -11.677 5.352 1.00 0.00 N ATOM 1562 CA VAL A 99 -3.356 -12.255 5.260 1.00 0.00 C ATOM 1563 C VAL A 99 -3.096 -13.114 6.501 1.00 0.00 C ATOM 1564 O VAL A 99 -2.396 -14.105 6.449 1.00 0.00 O ATOM 1565 CB VAL A 99 -2.426 -11.039 5.218 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -1.039 -11.417 5.745 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -2.302 -10.551 3.774 1.00 0.00 C ATOM 0 H VAL A 99 -4.761 -10.729 5.727 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.210 -12.896 4.390 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.841 -10.249 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.386 -10.545 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.124 -11.766 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.618 -12.210 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.641 -9.685 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.890 -11.348 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.286 -10.272 3.399 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.672 -12.744 7.616 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.475 -13.546 8.857 1.00 0.00 C ATOM 1579 C ASP A 100 -4.274 -14.839 8.747 1.00 0.00 C ATOM 1580 O ASP A 100 -3.824 -15.895 9.144 1.00 0.00 O ATOM 1581 CB ASP A 100 -4.011 -12.671 9.990 1.00 0.00 C ATOM 1582 CG ASP A 100 -3.048 -12.726 11.176 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -1.903 -12.337 11.004 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -3.469 -13.155 12.237 1.00 0.00 O ATOM 0 H ASP A 100 -4.268 -11.923 7.719 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.433 -13.817 9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.124 -11.643 9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.999 -13.016 10.294 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.447 -14.772 8.182 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.249 -16.005 8.021 1.00 0.00 C ATOM 1591 C LYS A 101 -5.674 -16.782 6.840 1.00 0.00 C ATOM 1592 O LYS A 101 -5.708 -17.990 6.794 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.688 -15.516 7.777 1.00 0.00 C ATOM 1594 CG LYS A 101 -8.147 -15.775 6.334 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.817 -14.527 5.801 1.00 0.00 C ATOM 1596 CE LYS A 101 -10.299 -14.823 5.533 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.319 -16.068 4.710 1.00 0.00 N ATOM 0 H LYS A 101 -5.879 -13.919 7.828 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.232 -16.675 8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.364 -16.019 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.749 -14.449 7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.294 -16.041 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.839 -16.617 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.721 -13.713 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.327 -14.201 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.846 -14.961 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.774 -13.997 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.895 -15.912 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.348 -16.315 4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.728 -16.846 5.267 1.00 0.00 H new ATOM 1611 N ILE A 102 -5.130 -16.071 5.889 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.525 -16.737 4.711 1.00 0.00 C ATOM 1613 C ILE A 102 -3.337 -17.543 5.212 1.00 0.00 C ATOM 1614 O ILE A 102 -3.040 -18.624 4.745 1.00 0.00 O ATOM 1615 CB ILE A 102 -4.086 -15.579 3.804 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -5.164 -15.326 2.753 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.772 -15.909 3.095 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.721 -14.177 1.853 1.00 0.00 C ATOM 0 H ILE A 102 -5.081 -15.052 5.882 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.188 -17.415 4.174 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.940 -14.693 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.330 -16.226 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.111 -15.083 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.482 -15.073 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.993 -16.087 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.903 -16.802 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.486 -13.990 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.576 -13.279 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.784 -14.440 1.362 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.678 -17.016 6.197 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.520 -17.733 6.788 1.00 0.00 C ATOM 1632 C VAL A 103 -2.060 -18.794 7.747 1.00 0.00 C ATOM 1633 O VAL A 103 -1.427 -19.796 8.015 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.736 -16.651 7.539 1.00 0.00 C ATOM 1635 CG1 VAL A 103 0.077 -17.284 8.672 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.215 -15.945 6.569 1.00 0.00 C ATOM 0 H VAL A 103 -2.892 -16.114 6.622 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.888 -18.236 6.057 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.438 -15.930 7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.631 -16.508 9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.597 -17.786 9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.776 -18.010 8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.773 -15.175 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.910 -16.671 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.360 -15.485 5.765 1.00 0.00 H new ATOM 1646 N SER A 104 -3.236 -18.563 8.259 1.00 0.00 N ATOM 1647 CA SER A 104 -3.859 -19.530 9.206 1.00 0.00 C ATOM 1648 C SER A 104 -4.673 -20.579 8.457 1.00 0.00 C ATOM 1649 O SER A 104 -4.906 -21.670 8.936 1.00 0.00 O ATOM 1650 CB SER A 104 -4.787 -18.672 10.058 1.00 0.00 C ATOM 1651 OG SER A 104 -5.248 -19.433 11.167 1.00 0.00 O ATOM 0 H SER A 104 -3.799 -17.736 8.060 1.00 0.00 H new ATOM 0 HA SER A 104 -3.113 -20.069 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.261 -17.783 10.406 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.632 -18.329 9.462 1.00 0.00 H new ATOM 0 HG SER A 104 -5.844 -18.882 11.717 1.00 0.00 H new ATOM 1657 N GLU A 105 -5.120 -20.234 7.294 1.00 0.00 N ATOM 1658 CA GLU A 105 -5.949 -21.177 6.490 1.00 0.00 C ATOM 1659 C GLU A 105 -5.574 -21.081 5.010 1.00 0.00 C ATOM 1660 O GLU A 105 -5.573 -22.065 4.296 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.398 -20.713 6.690 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.657 -20.388 8.163 1.00 0.00 C ATOM 1663 CD GLU A 105 -7.781 -21.690 8.959 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -7.250 -22.690 8.507 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -8.407 -21.662 10.006 1.00 0.00 O ATOM 0 H GLU A 105 -4.949 -19.330 6.854 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.801 -22.212 6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.592 -19.833 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.085 -21.491 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.843 -19.782 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.570 -19.801 8.262 1.00 0.00 H new ATOM 1672 N GLY A 106 -5.269 -19.903 4.539 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.911 -19.752 3.101 1.00 0.00 C ATOM 1674 C GLY A 106 -6.081 -19.110 2.359 1.00 0.00 C ATOM 1675 O GLY A 106 -6.204 -19.228 1.156 1.00 0.00 O ATOM 0 H GLY A 106 -5.252 -19.042 5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.018 -19.136 2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.679 -20.725 2.667 1.00 0.00 H new ATOM 1679 N SER A 107 -6.943 -18.424 3.061 1.00 0.00 N ATOM 1680 CA SER A 107 -8.097 -17.774 2.378 1.00 0.00 C ATOM 1681 C SER A 107 -8.046 -16.272 2.582 1.00 0.00 C ATOM 1682 O SER A 107 -7.990 -15.792 3.690 1.00 0.00 O ATOM 1683 CB SER A 107 -9.343 -18.353 3.037 1.00 0.00 C ATOM 1684 OG SER A 107 -9.006 -18.850 4.326 1.00 0.00 O ATOM 0 H SER A 107 -6.898 -18.287 4.071 1.00 0.00 H new ATOM 0 HA SER A 107 -8.087 -17.957 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.114 -17.587 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.755 -19.153 2.422 1.00 0.00 H new ATOM 0 HG SER A 107 -9.806 -19.221 4.753 1.00 0.00 H new ATOM 1690 N ASP A 108 -8.087 -15.532 1.518 1.00 0.00 N ATOM 1691 CA ASP A 108 -8.071 -14.050 1.634 1.00 0.00 C ATOM 1692 C ASP A 108 -9.510 -13.548 1.669 1.00 0.00 C ATOM 1693 O ASP A 108 -9.774 -12.368 1.547 1.00 0.00 O ATOM 1694 CB ASP A 108 -7.357 -13.559 0.371 1.00 0.00 C ATOM 1695 CG ASP A 108 -8.283 -13.721 -0.837 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -9.187 -12.913 -0.978 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -8.073 -14.650 -1.599 1.00 0.00 O ATOM 0 H ASP A 108 -8.131 -15.890 0.564 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.571 -13.695 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.071 -12.513 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.439 -14.125 0.217 1.00 0.00 H new ATOM 1702 N ASP A 109 -10.449 -14.445 1.823 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.877 -14.015 1.849 1.00 0.00 C ATOM 1704 C ASP A 109 -12.302 -13.610 3.266 1.00 0.00 C ATOM 1705 O ASP A 109 -12.856 -14.394 4.010 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.682 -15.224 1.358 1.00 0.00 C ATOM 1707 CG ASP A 109 -12.277 -16.479 2.134 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -12.663 -16.590 3.286 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -11.588 -17.308 1.563 1.00 0.00 O ATOM 0 H ASP A 109 -10.291 -15.447 1.931 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.044 -13.141 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.748 -15.037 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.511 -15.376 0.292 1.00 0.00 H new ATOM 1714 N ILE A 110 -12.066 -12.377 3.632 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.476 -11.905 4.989 1.00 0.00 C ATOM 1716 C ILE A 110 -13.726 -11.032 4.866 1.00 0.00 C ATOM 1717 O ILE A 110 -14.053 -10.264 5.750 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.302 -11.076 5.526 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.746 -10.181 4.415 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -10.193 -12.002 6.031 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.014 -8.992 5.037 1.00 0.00 C ATOM 0 H ILE A 110 -11.607 -11.676 3.050 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.708 -12.735 5.656 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.658 -10.457 6.349 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.065 -10.750 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.557 -9.829 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.364 -11.404 6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.581 -12.632 6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.842 -12.630 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.618 -8.355 4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.708 -8.419 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.193 -9.354 5.657 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.423 -11.138 3.767 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.646 -10.309 3.574 1.00 0.00 C ATOM 1735 C GLY A 111 -15.242 -8.924 3.064 1.00 0.00 C ATOM 1736 O GLY A 111 -16.076 -8.075 2.815 1.00 0.00 O ATOM 0 H GLY A 111 -14.197 -11.764 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.317 -10.790 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.190 -10.219 4.514 1.00 0.00 H new ATOM 1740 N GLU A 112 -13.967 -8.686 2.912 1.00 0.00 N ATOM 1741 CA GLU A 112 -13.505 -7.356 2.424 1.00 0.00 C ATOM 1742 C GLU A 112 -14.291 -6.919 1.183 1.00 0.00 C ATOM 1743 O GLU A 112 -15.019 -7.687 0.586 1.00 0.00 O ATOM 1744 CB GLU A 112 -12.027 -7.546 2.084 1.00 0.00 C ATOM 1745 CG GLU A 112 -11.857 -8.794 1.221 1.00 0.00 C ATOM 1746 CD GLU A 112 -11.564 -8.389 -0.225 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -12.485 -7.953 -0.895 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -10.424 -8.526 -0.639 1.00 0.00 O ATOM 0 H GLU A 112 -13.224 -9.358 3.105 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.658 -6.579 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.650 -6.671 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.442 -7.642 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.043 -9.407 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.761 -9.401 1.262 1.00 0.00 H new ATOM 1755 N ASN A 113 -14.143 -5.681 0.804 1.00 0.00 N ATOM 1756 CA ASN A 113 -14.867 -5.153 -0.390 1.00 0.00 C ATOM 1757 C ASN A 113 -13.910 -4.337 -1.259 1.00 0.00 C ATOM 1758 O ASN A 113 -13.763 -3.148 -1.077 1.00 0.00 O ATOM 1759 CB ASN A 113 -15.967 -4.264 0.188 1.00 0.00 C ATOM 1760 CG ASN A 113 -17.282 -4.538 -0.544 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.281 -5.034 -1.653 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -18.413 -4.235 0.033 1.00 0.00 N ATOM 0 H ASN A 113 -13.544 -5.003 1.275 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.272 -5.943 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -16.084 -4.459 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -15.693 -3.214 0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -19.295 -4.415 -0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.415 -3.819 0.964 1.00 0.00 H new ATOM 1769 N ILE A 114 -13.252 -4.967 -2.198 1.00 0.00 N ATOM 1770 CA ILE A 114 -12.294 -4.223 -3.067 1.00 0.00 C ATOM 1771 C ILE A 114 -13.031 -3.275 -4.010 1.00 0.00 C ATOM 1772 O ILE A 114 -12.940 -2.071 -3.880 1.00 0.00 O ATOM 1773 CB ILE A 114 -11.554 -5.293 -3.870 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -11.196 -6.481 -2.964 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.277 -4.684 -4.447 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -10.781 -5.973 -1.583 1.00 0.00 C ATOM 0 H ILE A 114 -13.337 -5.963 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.615 -3.611 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.194 -5.649 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -12.051 -7.151 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.385 -7.057 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.741 -5.439 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.534 -3.848 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.643 -4.330 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.528 -6.820 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.913 -5.321 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.605 -5.416 -1.137 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.760 -3.805 -4.956 1.00 0.00 N ATOM 1789 CA ASP A 115 -14.501 -2.922 -5.898 1.00 0.00 C ATOM 1790 C ASP A 115 -15.132 -1.774 -5.124 1.00 0.00 C ATOM 1791 O ASP A 115 -15.352 -0.693 -5.635 1.00 0.00 O ATOM 1792 CB ASP A 115 -15.579 -3.811 -6.520 1.00 0.00 C ATOM 1793 CG ASP A 115 -14.933 -5.073 -7.095 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -13.748 -5.031 -7.383 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -15.635 -6.061 -7.239 1.00 0.00 O ATOM 0 H ASP A 115 -13.873 -4.806 -5.115 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.856 -2.486 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -16.321 -4.080 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -16.104 -3.268 -7.306 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.418 -2.018 -3.886 1.00 0.00 N ATOM 1801 CA VAL A 116 -16.036 -0.976 -3.028 1.00 0.00 C ATOM 1802 C VAL A 116 -14.976 -0.161 -2.301 1.00 0.00 C ATOM 1803 O VAL A 116 -14.970 1.052 -2.346 1.00 0.00 O ATOM 1804 CB VAL A 116 -16.892 -1.755 -2.034 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.475 -0.793 -0.998 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -18.031 -2.453 -2.779 1.00 0.00 C ATOM 0 H VAL A 116 -15.248 -2.910 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.618 -0.261 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.276 -2.500 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.087 -1.350 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.664 -0.296 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.091 -0.047 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.643 -3.010 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.647 -1.708 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.616 -3.140 -3.517 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.090 -0.816 -1.624 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.031 -0.066 -0.879 1.00 0.00 C ATOM 1818 C PHE A 117 -12.209 0.778 -1.845 1.00 0.00 C ATOM 1819 O PHE A 117 -11.620 1.775 -1.473 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.148 -1.122 -0.218 1.00 0.00 C ATOM 1821 CG PHE A 117 -12.733 -1.491 1.123 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -13.050 -0.488 2.046 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -12.957 -2.832 1.442 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -13.590 -0.830 3.292 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -13.497 -3.174 2.688 1.00 0.00 C ATOM 1826 CZ PHE A 117 -13.814 -2.173 3.612 1.00 0.00 C ATOM 0 H PHE A 117 -14.044 -1.832 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.464 0.609 -0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.079 -2.005 -0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.135 -0.740 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -12.878 0.549 1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -12.714 -3.605 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -13.833 -0.057 4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -13.669 -4.211 2.936 1.00 0.00 H new ATOM 0 HZ PHE A 117 -14.232 -2.437 4.572 1.00 0.00 H new ATOM 1836 N SER A 118 -12.177 0.397 -3.087 1.00 0.00 N ATOM 1837 CA SER A 118 -11.412 1.177 -4.072 1.00 0.00 C ATOM 1838 C SER A 118 -12.327 2.210 -4.680 1.00 0.00 C ATOM 1839 O SER A 118 -11.956 3.341 -4.880 1.00 0.00 O ATOM 1840 CB SER A 118 -10.960 0.162 -5.117 1.00 0.00 C ATOM 1841 OG SER A 118 -9.554 0.268 -5.295 1.00 0.00 O ATOM 0 H SER A 118 -12.652 -0.426 -3.457 1.00 0.00 H new ATOM 0 HA SER A 118 -10.559 1.702 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.223 -0.847 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.473 0.342 -6.062 1.00 0.00 H new ATOM 0 HG SER A 118 -9.108 -0.464 -4.821 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.530 1.814 -4.942 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.521 2.756 -5.530 1.00 0.00 C ATOM 1849 C ASP A 119 -14.867 3.817 -4.505 1.00 0.00 C ATOM 1850 O ASP A 119 -15.114 4.960 -4.825 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.741 1.903 -5.874 1.00 0.00 C ATOM 1852 CG ASP A 119 -16.940 2.812 -6.156 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -16.870 3.577 -7.102 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -17.909 2.725 -5.419 1.00 0.00 O ATOM 0 H ASP A 119 -13.879 0.870 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.144 3.269 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.530 1.282 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -15.970 1.228 -5.049 1.00 0.00 H new ATOM 1859 N THR A 120 -14.845 3.437 -3.272 1.00 0.00 N ATOM 1860 CA THR A 120 -15.130 4.404 -2.184 1.00 0.00 C ATOM 1861 C THR A 120 -13.998 5.417 -2.163 1.00 0.00 C ATOM 1862 O THR A 120 -14.193 6.616 -2.123 1.00 0.00 O ATOM 1863 CB THR A 120 -15.152 3.547 -0.907 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.494 3.192 -0.604 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.553 4.317 0.269 1.00 0.00 C ATOM 0 H THR A 120 -14.640 2.487 -2.962 1.00 0.00 H new ATOM 0 HA THR A 120 -16.065 4.953 -2.296 1.00 0.00 H new ATOM 0 HB THR A 120 -14.557 2.650 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.512 2.644 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.578 3.693 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.521 4.584 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.132 5.224 0.443 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.814 4.911 -2.214 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.614 5.778 -2.223 1.00 0.00 C ATOM 1875 C ILE A 121 -11.505 6.471 -3.587 1.00 0.00 C ATOM 1876 O ILE A 121 -11.238 7.653 -3.673 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.462 4.796 -1.964 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -9.840 5.098 -0.601 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.386 4.889 -3.049 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -9.256 6.512 -0.603 1.00 0.00 C ATOM 0 H ILE A 121 -12.618 3.911 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.625 6.578 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.867 3.784 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.593 5.006 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.058 4.372 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.588 4.180 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.826 4.655 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.978 5.899 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.813 6.724 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.490 6.588 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.048 7.233 -0.806 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.729 5.746 -4.653 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.659 6.369 -5.994 1.00 0.00 C ATOM 1894 C LYS A 122 -12.771 7.399 -6.105 1.00 0.00 C ATOM 1895 O LYS A 122 -12.625 8.436 -6.723 1.00 0.00 O ATOM 1896 CB LYS A 122 -11.869 5.219 -6.977 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.516 4.839 -7.572 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.147 3.409 -7.174 1.00 0.00 C ATOM 1899 CE LYS A 122 -8.943 3.441 -6.224 1.00 0.00 C ATOM 1900 NZ LYS A 122 -8.134 2.240 -6.580 1.00 0.00 N ATOM 0 H LYS A 122 -11.956 4.752 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.716 6.880 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.314 4.363 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.560 5.516 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.551 4.924 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.750 5.531 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.994 2.924 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.909 2.822 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.365 4.357 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.262 3.407 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.145 2.391 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.513 1.407 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.179 2.083 -7.607 1.00 0.00 H new ATOM 1914 N SER A 123 -13.876 7.127 -5.475 1.00 0.00 N ATOM 1915 CA SER A 123 -15.000 8.090 -5.498 1.00 0.00 C ATOM 1916 C SER A 123 -14.679 9.244 -4.561 1.00 0.00 C ATOM 1917 O SER A 123 -15.322 10.275 -4.573 1.00 0.00 O ATOM 1918 CB SER A 123 -16.198 7.306 -4.987 1.00 0.00 C ATOM 1919 OG SER A 123 -16.650 6.418 -6.002 1.00 0.00 O ATOM 0 H SER A 123 -14.047 6.274 -4.943 1.00 0.00 H new ATOM 0 HA SER A 123 -15.186 8.507 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.925 6.745 -4.093 1.00 0.00 H new ATOM 0 HB3 SER A 123 -16.999 7.989 -4.703 1.00 0.00 H new ATOM 0 HG SER A 123 -16.392 5.501 -5.773 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.675 9.074 -3.754 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.284 10.157 -2.812 1.00 0.00 C ATOM 1927 C PHE A 124 -12.604 11.288 -3.580 1.00 0.00 C ATOM 1928 O PHE A 124 -12.235 12.303 -3.024 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.303 9.506 -1.842 1.00 0.00 C ATOM 1930 CG PHE A 124 -12.591 9.976 -0.437 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -12.186 11.253 -0.029 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -13.262 9.135 0.458 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -12.451 11.687 1.276 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -13.528 9.570 1.762 1.00 0.00 C ATOM 1935 CZ PHE A 124 -13.123 10.846 2.171 1.00 0.00 C ATOM 0 H PHE A 124 -13.105 8.229 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.141 10.587 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.388 8.421 -1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.280 9.760 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -11.670 11.903 -0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -13.575 8.150 0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -12.137 12.671 1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -14.046 8.921 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 124 -13.329 11.182 3.177 1.00 0.00 H new ATOM 1945 N ALA A 125 -12.437 11.113 -4.858 1.00 0.00 N ATOM 1946 CA ALA A 125 -11.780 12.168 -5.680 1.00 0.00 C ATOM 1947 C ALA A 125 -12.686 12.567 -6.849 1.00 0.00 C ATOM 1948 O ALA A 125 -13.037 11.754 -7.680 1.00 0.00 O ATOM 1949 CB ALA A 125 -10.491 11.524 -6.195 1.00 0.00 C ATOM 0 H ALA A 125 -12.728 10.282 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.582 13.074 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -9.948 12.240 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.870 11.228 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.736 10.645 -6.791 1.00 0.00 H new ATOM 1955 N SER A 126 -13.068 13.813 -6.918 1.00 0.00 N ATOM 1956 CA SER A 126 -13.952 14.259 -8.034 1.00 0.00 C ATOM 1957 C SER A 126 -13.914 15.784 -8.171 1.00 0.00 C ATOM 1958 O SER A 126 -13.692 16.313 -9.243 1.00 0.00 O ATOM 1959 CB SER A 126 -15.351 13.791 -7.638 1.00 0.00 C ATOM 1960 OG SER A 126 -15.700 14.370 -6.387 1.00 0.00 O ATOM 0 H SER A 126 -12.807 14.540 -6.252 1.00 0.00 H new ATOM 0 HA SER A 126 -13.639 13.850 -8.995 1.00 0.00 H new ATOM 0 HB2 SER A 126 -16.074 14.080 -8.401 1.00 0.00 H new ATOM 0 HB3 SER A 126 -15.378 12.703 -7.569 1.00 0.00 H new ATOM 0 HG SER A 126 -16.598 14.074 -6.129 1.00 0.00 H new ATOM 1966 N SER A 127 -14.131 16.494 -7.097 1.00 0.00 N ATOM 1967 CA SER A 127 -14.110 17.984 -7.171 1.00 0.00 C ATOM 1968 C SER A 127 -13.964 18.584 -5.768 1.00 0.00 C ATOM 1969 O SER A 127 -14.903 18.616 -4.997 1.00 0.00 O ATOM 1970 CB SER A 127 -15.458 18.368 -7.779 1.00 0.00 C ATOM 1971 OG SER A 127 -15.443 18.082 -9.172 1.00 0.00 O ATOM 0 H SER A 127 -14.322 16.108 -6.172 1.00 0.00 H new ATOM 0 HA SER A 127 -13.274 18.356 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 127 -16.261 17.815 -7.291 1.00 0.00 H new ATOM 0 HB3 SER A 127 -15.655 19.427 -7.616 1.00 0.00 H new ATOM 0 HG SER A 127 -14.545 17.792 -9.437 1.00 0.00 H new ATOM 1977 N GLY A 128 -12.794 19.059 -5.431 1.00 0.00 N ATOM 1978 CA GLY A 128 -12.592 19.655 -4.078 1.00 0.00 C ATOM 1979 C GLY A 128 -11.815 20.967 -4.205 1.00 0.00 C ATOM 1980 O GLY A 128 -11.318 21.305 -5.262 1.00 0.00 O ATOM 0 H GLY A 128 -11.971 19.060 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -13.556 19.836 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -12.047 18.959 -3.440 1.00 0.00 H new ATOM 1984 N LYS A 129 -11.706 21.710 -3.136 1.00 0.00 N ATOM 1985 CA LYS A 129 -10.963 23.005 -3.196 1.00 0.00 C ATOM 1986 C LYS A 129 -9.611 22.880 -2.488 1.00 0.00 C ATOM 1987 O LYS A 129 -9.225 23.731 -1.712 1.00 0.00 O ATOM 1988 CB LYS A 129 -11.857 24.008 -2.464 1.00 0.00 C ATOM 1989 CG LYS A 129 -13.128 24.254 -3.279 1.00 0.00 C ATOM 1990 CD LYS A 129 -13.107 25.675 -3.846 1.00 0.00 C ATOM 1991 CE LYS A 129 -12.214 25.716 -5.089 1.00 0.00 C ATOM 1992 NZ LYS A 129 -13.157 25.706 -6.242 1.00 0.00 N ATOM 0 H LYS A 129 -12.099 21.477 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.755 23.311 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.115 23.627 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -11.322 24.946 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.198 23.529 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -14.008 24.115 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -14.118 25.991 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -12.735 26.372 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -11.590 26.610 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -11.542 24.858 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -12.618 25.733 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -13.733 24.841 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -13.779 26.538 -6.189 1.00 0.00 H new ATOM 2006 N GLU A 130 -8.889 21.825 -2.746 1.00 0.00 N ATOM 2007 CA GLU A 130 -7.564 21.651 -2.083 1.00 0.00 C ATOM 2008 C GLU A 130 -7.722 21.745 -0.564 1.00 0.00 C ATOM 2009 O GLU A 130 -6.796 22.083 0.147 1.00 0.00 O ATOM 2010 CB GLU A 130 -6.705 22.807 -2.601 1.00 0.00 C ATOM 2011 CG GLU A 130 -5.841 22.321 -3.766 1.00 0.00 C ATOM 2012 CD GLU A 130 -5.529 23.496 -4.695 1.00 0.00 C ATOM 2013 OE1 GLU A 130 -6.338 24.407 -4.759 1.00 0.00 O ATOM 2014 OE2 GLU A 130 -4.487 23.464 -5.328 1.00 0.00 O ATOM 0 H GLU A 130 -9.157 21.077 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.117 20.681 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.342 23.630 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.072 23.190 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.915 21.886 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.361 21.537 -4.316 1.00 0.00 H new ATOM 2021 N LYS A 131 -8.889 21.450 -0.061 1.00 0.00 N ATOM 2022 CA LYS A 131 -9.107 21.526 1.411 1.00 0.00 C ATOM 2023 C LYS A 131 -8.592 22.864 1.947 1.00 0.00 C ATOM 2024 O LYS A 131 -8.240 23.750 1.195 1.00 0.00 O ATOM 2025 CB LYS A 131 -8.299 20.364 1.989 1.00 0.00 C ATOM 2026 CG LYS A 131 -8.993 19.042 1.655 1.00 0.00 C ATOM 2027 CD LYS A 131 -10.228 18.876 2.545 1.00 0.00 C ATOM 2028 CE LYS A 131 -10.627 17.400 2.592 1.00 0.00 C ATOM 2029 NZ LYS A 131 -9.744 16.796 3.629 1.00 0.00 N ATOM 0 H LYS A 131 -9.701 21.160 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.161 21.460 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -7.289 20.370 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -8.205 20.475 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -9.284 19.027 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -8.306 18.209 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.016 19.239 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.052 19.475 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.679 17.283 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -10.483 16.921 1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -10.230 15.990 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -8.862 16.468 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.523 17.508 4.354 1.00 0.00 H new ATOM 2043 N LEU A 132 -8.546 23.019 3.242 1.00 0.00 N ATOM 2044 CA LEU A 132 -8.052 24.304 3.818 1.00 0.00 C ATOM 2045 C LEU A 132 -7.495 24.071 5.223 1.00 0.00 C ATOM 2046 O LEU A 132 -7.689 23.028 5.815 1.00 0.00 O ATOM 2047 CB LEU A 132 -9.277 25.215 3.869 1.00 0.00 C ATOM 2048 CG LEU A 132 -10.380 24.544 4.686 1.00 0.00 C ATOM 2049 CD1 LEU A 132 -10.483 25.218 6.056 1.00 0.00 C ATOM 2050 CD2 LEU A 132 -11.713 24.680 3.947 1.00 0.00 C ATOM 0 H LEU A 132 -8.828 22.315 3.924 1.00 0.00 H new ATOM 0 HA LEU A 132 -7.248 24.740 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -9.012 26.174 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -9.632 25.421 2.859 1.00 0.00 H new ATOM 0 HG LEU A 132 -10.144 23.488 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -11.270 24.739 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -9.533 25.122 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -10.720 26.274 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -12.502 24.202 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -11.949 25.736 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -11.639 24.199 2.972 1.00 0.00 H new ATOM 2062 N GLU A 133 -6.803 25.036 5.764 1.00 0.00 N ATOM 2063 CA GLU A 133 -6.234 24.867 7.131 1.00 0.00 C ATOM 2064 C GLU A 133 -6.108 26.225 7.827 1.00 0.00 C ATOM 2065 O GLU A 133 -6.512 26.320 8.975 1.00 0.00 O ATOM 2066 CB GLU A 133 -4.854 24.249 6.909 1.00 0.00 C ATOM 2067 CG GLU A 133 -4.577 23.215 8.001 1.00 0.00 C ATOM 2068 CD GLU A 133 -3.074 22.935 8.069 1.00 0.00 C ATOM 2069 OE1 GLU A 133 -2.311 23.815 7.705 1.00 0.00 O ATOM 2070 OE2 GLU A 133 -2.713 21.848 8.484 1.00 0.00 O ATOM 0 H GLU A 133 -6.607 25.933 5.319 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.864 24.245 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -4.808 23.778 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -4.089 25.025 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -4.933 23.582 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.120 22.294 7.791 1.00 0.00 H new TER 2077 GLU A 133