USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 15 SER OG : rot 180:sc= 0.332 USER MOD Set 1.2: A 17 SER OG : rot -92:sc= 0.176 USER MOD Set 1.3: A 84 LYS NZ :NH3+ -159:sc= -0.0188 (180deg=-0.177) USER MOD Set 2.1: A 64 HIS :FLIP no HD1:sc= -0.0863 F(o=-1.4,f=-0.64) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.558 K(o=-0.64,f=-3!) USER MOD Set 3.1: A 60 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.00069) USER MOD Set 3.2: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 31 HIS : no HD1:sc= -2.26! C(o=-1.9!,f=-5.3!) USER MOD Set 4.2: A 42 CYS SG : rot -46:sc= 0.312 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.0358 (180deg=-2.55!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.29! C(o=-5.1!,f=-1.3!) USER MOD Single : A 9 ASN : amide:sc= -0.627! X(o=-0.63!,f=-0.74) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0424 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0141 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.61! C(o=-2.6!,f=-6.4!) USER MOD Single : A 53 MET CE :methyl -128:sc= 0 (180deg=-0.0134) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -148:sc= 0.814 (180deg=-1.13) USER MOD Single : A 70 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.029) USER MOD Single : A 74 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0047 X(o=-0.0047,f=-0.21) USER MOD Single : A 80 ASN : amide:sc= -2.81 K(o=-2.8,f=-4.4!) USER MOD Single : A 85 ASN : amide:sc= -0.569 K(o=-0.57,f=-7.6!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 160:sc= -0.0498 (180deg=-0.433) USER MOD Single : A 103 LYS NZ :NH3+ -111:sc= -0.196 (180deg=-0.535) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0358 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.190 14.403 -7.095 1.00 0.00 N ATOM 2 CA MET A 1 6.970 14.815 -5.941 1.00 0.00 C ATOM 3 C MET A 1 6.886 13.775 -4.823 1.00 0.00 C ATOM 4 O MET A 1 7.858 13.070 -4.551 1.00 0.00 O ATOM 5 CB MET A 1 6.450 16.160 -5.427 1.00 0.00 C ATOM 6 CG MET A 1 5.651 16.888 -6.509 1.00 0.00 C ATOM 7 SD MET A 1 3.911 16.535 -6.324 1.00 0.00 S ATOM 8 CE MET A 1 3.367 16.764 -8.008 1.00 0.00 C ATOM 0 H1 MET A 1 6.581 14.841 -7.953 1.00 0.00 H new ATOM 0 H2 MET A 1 6.227 13.368 -7.187 1.00 0.00 H new ATOM 0 H3 MET A 1 5.202 14.704 -6.972 1.00 0.00 H new ATOM 0 HA MET A 1 8.012 14.910 -6.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.821 16.000 -4.551 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.288 16.780 -5.109 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.822 17.962 -6.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.991 16.575 -7.496 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.294 16.581 -8.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.580 17.785 -8.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.894 16.066 -8.659 1.00 0.00 H new ATOM 16 N SER A 2 5.717 13.710 -4.204 1.00 0.00 N ATOM 17 CA SER A 2 5.494 12.768 -3.121 1.00 0.00 C ATOM 18 C SER A 2 4.053 12.254 -3.163 1.00 0.00 C ATOM 19 O SER A 2 3.113 13.007 -2.915 1.00 0.00 O ATOM 20 CB SER A 2 5.790 13.408 -1.763 1.00 0.00 C ATOM 21 OG SER A 2 5.554 14.813 -1.773 1.00 0.00 O ATOM 0 H SER A 2 4.913 14.295 -4.432 1.00 0.00 H new ATOM 0 HA SER A 2 6.177 11.929 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.168 12.941 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.828 13.217 -1.490 1.00 0.00 H new ATOM 0 HG SER A 2 5.753 15.184 -0.888 1.00 0.00 H new ATOM 26 N GLU A 3 3.925 10.973 -3.479 1.00 0.00 N ATOM 27 CA GLU A 3 2.614 10.349 -3.557 1.00 0.00 C ATOM 28 C GLU A 3 2.675 8.918 -3.020 1.00 0.00 C ATOM 29 O GLU A 3 3.618 8.182 -3.310 1.00 0.00 O ATOM 30 CB GLU A 3 2.079 10.376 -4.990 1.00 0.00 C ATOM 31 CG GLU A 3 2.973 9.558 -5.924 1.00 0.00 C ATOM 32 CD GLU A 3 2.160 8.499 -6.673 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.039 8.782 -7.123 1.00 0.00 O ATOM 34 OE2 GLU A 3 2.733 7.349 -6.782 1.00 0.00 O ATOM 0 H GLU A 3 4.707 10.351 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 3 1.923 10.919 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.064 9.978 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.025 11.406 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.460 10.221 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.762 9.075 -5.348 1.00 0.00 H new ATOM 40 N VAL A 4 1.658 8.565 -2.248 1.00 0.00 N ATOM 41 CA VAL A 4 1.583 7.235 -1.668 1.00 0.00 C ATOM 42 C VAL A 4 0.366 6.503 -2.236 1.00 0.00 C ATOM 43 O VAL A 4 -0.734 7.052 -2.266 1.00 0.00 O ATOM 44 CB VAL A 4 1.565 7.330 -0.142 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.174 7.711 0.368 1.00 0.00 C ATOM 46 CG2 VAL A 4 2.043 6.022 0.495 1.00 0.00 C ATOM 0 H VAL A 4 0.878 9.178 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 4 2.465 6.653 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 4 2.257 8.119 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.189 7.772 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.113 8.678 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.547 6.955 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.021 6.117 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.388 5.207 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.062 5.810 0.170 1.00 0.00 H new ATOM 56 N ASN A 5 0.605 5.275 -2.674 1.00 0.00 N ATOM 57 CA ASN A 5 -0.459 4.462 -3.240 1.00 0.00 C ATOM 58 C ASN A 5 -0.235 2.999 -2.855 1.00 0.00 C ATOM 59 O ASN A 5 0.874 2.482 -2.981 1.00 0.00 O ATOM 60 CB ASN A 5 -0.468 4.553 -4.766 1.00 0.00 C ATOM 61 CG ASN A 5 0.388 5.725 -5.252 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.106 6.920 -4.942 1.00 0.00 O flip ATOM 63 ND2 ASN A 5 1.428 5.554 -5.866 1.00 0.00 N flip ATOM 0 H ASN A 5 1.519 4.824 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.409 4.830 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.092 3.623 -5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.492 4.674 -5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.750 4.608 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.976 6.357 -6.175 1.00 0.00 H new ATOM 69 N ILE A 6 -1.307 2.371 -2.393 1.00 0.00 N ATOM 70 CA ILE A 6 -1.242 0.977 -1.988 1.00 0.00 C ATOM 71 C ILE A 6 -2.552 0.281 -2.362 1.00 0.00 C ATOM 72 O ILE A 6 -3.632 0.843 -2.182 1.00 0.00 O ATOM 73 CB ILE A 6 -0.888 0.865 -0.504 1.00 0.00 C ATOM 74 CG1 ILE A 6 -0.374 -0.536 -0.167 1.00 0.00 C ATOM 75 CG2 ILE A 6 -2.073 1.269 0.374 1.00 0.00 C ATOM 76 CD1 ILE A 6 -0.640 -0.880 1.300 1.00 0.00 C ATOM 0 H ILE A 6 -2.226 2.802 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.443 0.462 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.078 1.563 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.860 -1.270 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.696 -0.593 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.795 1.180 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.351 2.301 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.919 0.614 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.265 -1.881 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.133 -0.159 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.712 -0.846 1.493 1.00 0.00 H new ATOM 87 N VAL A 7 -2.415 -0.934 -2.875 1.00 0.00 N ATOM 88 CA VAL A 7 -3.575 -1.712 -3.275 1.00 0.00 C ATOM 89 C VAL A 7 -3.340 -3.183 -2.927 1.00 0.00 C ATOM 90 O VAL A 7 -2.365 -3.783 -3.377 1.00 0.00 O ATOM 91 CB VAL A 7 -3.869 -1.488 -4.760 1.00 0.00 C ATOM 92 CG1 VAL A 7 -2.593 -1.608 -5.596 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.944 -2.455 -5.258 1.00 0.00 C ATOM 0 H VAL A 7 -1.519 -1.398 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.461 -1.386 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.251 -0.474 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.830 -1.445 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.871 -0.861 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.168 -2.604 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.134 -2.274 -6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.602 -3.481 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.863 -2.300 -4.693 1.00 0.00 H new ATOM 103 N VAL A 8 -4.250 -3.723 -2.130 1.00 0.00 N ATOM 104 CA VAL A 8 -4.155 -5.113 -1.717 1.00 0.00 C ATOM 105 C VAL A 8 -5.460 -5.834 -2.063 1.00 0.00 C ATOM 106 O VAL A 8 -6.538 -5.396 -1.666 1.00 0.00 O ATOM 107 CB VAL A 8 -3.804 -5.193 -0.230 1.00 0.00 C ATOM 108 CG1 VAL A 8 -3.848 -6.640 0.265 1.00 0.00 C ATOM 109 CG2 VAL A 8 -2.438 -4.561 0.045 1.00 0.00 C ATOM 0 H VAL A 8 -5.058 -3.223 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.353 -5.618 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.553 -4.626 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.595 -6.670 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.850 -7.044 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.131 -7.239 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.212 -4.631 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.672 -5.088 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.455 -3.513 -0.254 1.00 0.00 H new ATOM 119 N ASN A 9 -5.317 -6.926 -2.799 1.00 0.00 N ATOM 120 CA ASN A 9 -6.470 -7.712 -3.203 1.00 0.00 C ATOM 121 C ASN A 9 -6.394 -9.094 -2.550 1.00 0.00 C ATOM 122 O ASN A 9 -5.472 -9.862 -2.819 1.00 0.00 O ATOM 123 CB ASN A 9 -6.500 -7.907 -4.721 1.00 0.00 C ATOM 124 CG ASN A 9 -6.112 -6.618 -5.447 1.00 0.00 C ATOM 125 OD1 ASN A 9 -6.930 -5.748 -5.699 1.00 0.00 O ATOM 126 ND2 ASN A 9 -4.824 -6.543 -5.767 1.00 0.00 N ATOM 0 H ASN A 9 -4.420 -7.285 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.368 -7.179 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.815 -8.707 -5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.498 -8.217 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.466 -5.721 -6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.193 -7.308 -5.526 1.00 0.00 H new ATOM 132 N GLY A 10 -7.376 -9.368 -1.704 1.00 0.00 N ATOM 133 CA GLY A 10 -7.433 -10.644 -1.011 1.00 0.00 C ATOM 134 C GLY A 10 -6.434 -10.682 0.148 1.00 0.00 C ATOM 135 O GLY A 10 -5.751 -11.684 0.350 1.00 0.00 O ATOM 0 H GLY A 10 -8.139 -8.728 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.441 -10.812 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.216 -11.452 -1.710 1.00 0.00 H new ATOM 139 N ARG A 11 -6.382 -9.578 0.880 1.00 0.00 N ATOM 140 CA ARG A 11 -5.478 -9.473 2.012 1.00 0.00 C ATOM 141 C ARG A 11 -4.202 -10.275 1.750 1.00 0.00 C ATOM 142 O ARG A 11 -3.787 -11.079 2.583 1.00 0.00 O ATOM 143 CB ARG A 11 -6.140 -9.986 3.293 1.00 0.00 C ATOM 144 CG ARG A 11 -7.292 -10.940 2.971 1.00 0.00 C ATOM 145 CD ARG A 11 -7.789 -11.644 4.235 1.00 0.00 C ATOM 146 NE ARG A 11 -8.700 -12.753 3.872 1.00 0.00 N ATOM 147 CZ ARG A 11 -10.015 -12.599 3.612 1.00 0.00 C ATOM 148 NH1 ARG A 11 -10.586 -11.377 3.672 1.00 0.00 N ATOM 149 NH2 ARG A 11 -10.734 -13.659 3.297 1.00 0.00 N ATOM 0 H ARG A 11 -6.952 -8.749 0.711 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.228 -8.420 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.401 -10.498 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.513 -9.144 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.111 -10.386 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.963 -11.681 2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.942 -12.029 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.307 -10.932 4.878 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.309 -13.693 3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.023 -10.562 3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.581 -11.269 3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.295 -14.578 3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.729 -13.559 3.098 1.00 0.00 H new ATOM 159 N GLU A 12 -3.615 -10.028 0.587 1.00 0.00 N ATOM 160 CA GLU A 12 -2.394 -10.717 0.205 1.00 0.00 C ATOM 161 C GLU A 12 -1.282 -9.706 -0.084 1.00 0.00 C ATOM 162 O GLU A 12 -1.518 -8.688 -0.735 1.00 0.00 O ATOM 163 CB GLU A 12 -2.634 -11.628 -1.000 1.00 0.00 C ATOM 164 CG GLU A 12 -2.526 -10.844 -2.310 1.00 0.00 C ATOM 165 CD GLU A 12 -3.042 -11.673 -3.489 1.00 0.00 C ATOM 166 OE1 GLU A 12 -4.260 -11.735 -3.716 1.00 0.00 O ATOM 167 OE2 GLU A 12 -2.129 -12.264 -4.181 1.00 0.00 O ATOM 0 H GLU A 12 -3.962 -9.361 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.078 -11.346 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.907 -12.440 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.621 -12.084 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.098 -9.919 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.488 -10.563 -2.485 1.00 0.00 H new ATOM 173 N ALA A 13 -0.095 -10.021 0.413 1.00 0.00 N ATOM 174 CA ALA A 13 1.053 -9.154 0.215 1.00 0.00 C ATOM 175 C ALA A 13 2.009 -9.799 -0.790 1.00 0.00 C ATOM 176 O ALA A 13 2.204 -11.014 -0.774 1.00 0.00 O ATOM 177 CB ALA A 13 1.723 -8.880 1.564 1.00 0.00 C ATOM 0 H ALA A 13 0.096 -10.865 0.953 1.00 0.00 H new ATOM 0 HA ALA A 13 0.742 -8.194 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.585 -8.229 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.011 -8.394 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.050 -9.821 2.006 1.00 0.00 H new ATOM 183 N GLY A 14 2.580 -8.958 -1.640 1.00 0.00 N ATOM 184 CA GLY A 14 3.510 -9.432 -2.650 1.00 0.00 C ATOM 185 C GLY A 14 4.827 -8.655 -2.591 1.00 0.00 C ATOM 186 O GLY A 14 5.517 -8.519 -3.599 1.00 0.00 O ATOM 0 H GLY A 14 2.416 -7.951 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.703 -10.494 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.064 -9.325 -3.639 1.00 0.00 H new ATOM 190 N SER A 15 5.133 -8.163 -1.400 1.00 0.00 N ATOM 191 CA SER A 15 6.354 -7.402 -1.196 1.00 0.00 C ATOM 192 C SER A 15 6.945 -7.718 0.180 1.00 0.00 C ATOM 193 O SER A 15 6.365 -8.486 0.946 1.00 0.00 O ATOM 194 CB SER A 15 6.096 -5.900 -1.331 1.00 0.00 C ATOM 195 OG SER A 15 5.556 -5.341 -0.136 1.00 0.00 O ATOM 0 H SER A 15 4.557 -8.276 -0.566 1.00 0.00 H new ATOM 0 HA SER A 15 7.069 -7.691 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.028 -5.393 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.407 -5.723 -2.157 1.00 0.00 H new ATOM 0 HG SER A 15 5.407 -4.381 -0.262 1.00 0.00 H new ATOM 200 N LYS A 16 8.089 -7.109 0.451 1.00 0.00 N ATOM 201 CA LYS A 16 8.764 -7.315 1.721 1.00 0.00 C ATOM 202 C LYS A 16 7.885 -6.781 2.854 1.00 0.00 C ATOM 203 O LYS A 16 8.128 -7.071 4.024 1.00 0.00 O ATOM 204 CB LYS A 16 10.165 -6.702 1.690 1.00 0.00 C ATOM 205 CG LYS A 16 11.011 -7.323 0.575 1.00 0.00 C ATOM 206 CD LYS A 16 12.465 -7.492 1.019 1.00 0.00 C ATOM 207 CE LYS A 16 13.429 -7.024 -0.072 1.00 0.00 C ATOM 208 NZ LYS A 16 14.245 -8.157 -0.563 1.00 0.00 N ATOM 0 H LYS A 16 8.566 -6.472 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 16 8.911 -8.379 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.091 -5.625 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.655 -6.856 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.597 -8.292 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.969 -6.692 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.639 -6.922 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.658 -8.539 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.868 -6.587 -0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.080 -6.242 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.894 -7.822 -1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.794 -8.556 0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.621 -8.890 -0.956 1.00 0.00 H new ATOM 217 N SER A 17 6.880 -6.009 2.466 1.00 0.00 N ATOM 218 CA SER A 17 5.964 -5.430 3.434 1.00 0.00 C ATOM 219 C SER A 17 5.519 -6.498 4.436 1.00 0.00 C ATOM 220 O SER A 17 5.125 -6.179 5.556 1.00 0.00 O ATOM 221 CB SER A 17 4.747 -4.814 2.741 1.00 0.00 C ATOM 222 OG SER A 17 3.858 -5.808 2.240 1.00 0.00 O ATOM 0 H SER A 17 6.680 -5.771 1.494 1.00 0.00 H new ATOM 0 HA SER A 17 6.486 -4.635 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.215 -4.173 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.080 -4.179 1.920 1.00 0.00 H new ATOM 0 HG SER A 17 4.094 -6.020 1.313 1.00 0.00 H new ATOM 227 N LYS A 18 5.597 -7.746 3.996 1.00 0.00 N ATOM 228 CA LYS A 18 5.208 -8.863 4.840 1.00 0.00 C ATOM 229 C LYS A 18 5.906 -8.741 6.195 1.00 0.00 C ATOM 230 O LYS A 18 5.260 -8.804 7.239 1.00 0.00 O ATOM 231 CB LYS A 18 5.474 -10.191 4.127 1.00 0.00 C ATOM 232 CG LYS A 18 4.181 -10.772 3.550 1.00 0.00 C ATOM 233 CD LYS A 18 4.409 -11.322 2.140 1.00 0.00 C ATOM 234 CE LYS A 18 4.395 -12.851 2.140 1.00 0.00 C ATOM 235 NZ LYS A 18 3.072 -13.357 1.712 1.00 0.00 N ATOM 0 H LYS A 18 5.924 -8.008 3.066 1.00 0.00 H new ATOM 0 HA LYS A 18 4.135 -8.840 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.198 -10.039 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.916 -10.901 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.814 -11.567 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.411 -10.001 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.635 -10.948 1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.364 -10.963 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.169 -13.228 1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.628 -13.223 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.080 -14.397 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.340 -13.013 2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.865 -13.018 0.751 1.00 0.00 H new ATOM 244 N GLY A 19 7.218 -8.568 6.135 1.00 0.00 N ATOM 245 CA GLY A 19 8.013 -8.437 7.344 1.00 0.00 C ATOM 246 C GLY A 19 7.741 -7.099 8.036 1.00 0.00 C ATOM 247 O GLY A 19 6.645 -6.873 8.549 1.00 0.00 O ATOM 0 H GLY A 19 7.751 -8.515 5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.783 -9.256 8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.072 -8.515 7.098 1.00 0.00 H new ATOM 251 N CYS A 20 8.755 -6.248 8.027 1.00 0.00 N ATOM 252 CA CYS A 20 8.640 -4.938 8.648 1.00 0.00 C ATOM 253 C CYS A 20 9.036 -3.881 7.615 1.00 0.00 C ATOM 254 O CYS A 20 9.521 -4.214 6.535 1.00 0.00 O ATOM 255 CB CYS A 20 9.483 -4.839 9.920 1.00 0.00 C ATOM 256 SG CYS A 20 9.370 -6.398 10.870 1.00 0.00 S ATOM 0 H CYS A 20 9.661 -6.439 7.600 1.00 0.00 H new ATOM 0 HA CYS A 20 7.610 -4.770 8.961 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.522 -4.635 9.662 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.137 -4.005 10.531 1.00 0.00 H new ATOM 0 HG CYS A 20 10.092 -6.303 11.947 1.00 0.00 H new ATOM 261 N ALA A 21 8.816 -2.628 7.984 1.00 0.00 N ATOM 262 CA ALA A 21 9.144 -1.520 7.104 1.00 0.00 C ATOM 263 C ALA A 21 10.664 -1.370 7.025 1.00 0.00 C ATOM 264 O ALA A 21 11.176 -0.630 6.187 1.00 0.00 O ATOM 265 CB ALA A 21 8.458 -0.248 7.608 1.00 0.00 C ATOM 0 H ALA A 21 8.414 -2.356 8.881 1.00 0.00 H new ATOM 0 HA ALA A 21 8.779 -1.710 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.704 0.584 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.378 -0.396 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.803 -0.024 8.618 1.00 0.00 H new ATOM 271 N LEU A 22 11.344 -2.083 7.910 1.00 0.00 N ATOM 272 CA LEU A 22 12.796 -2.040 7.951 1.00 0.00 C ATOM 273 C LEU A 22 13.360 -3.231 7.174 1.00 0.00 C ATOM 274 O LEU A 22 14.091 -3.053 6.201 1.00 0.00 O ATOM 275 CB LEU A 22 13.289 -1.959 9.397 1.00 0.00 C ATOM 276 CG LEU A 22 14.788 -1.711 9.582 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.182 -0.327 9.064 1.00 0.00 C ATOM 278 CD2 LEU A 22 15.202 -1.918 11.040 1.00 0.00 C ATOM 0 H LEU A 22 10.916 -2.695 8.605 1.00 0.00 H new ATOM 0 HA LEU A 22 13.164 -1.138 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.744 -1.161 9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.030 -2.890 9.901 1.00 0.00 H new ATOM 0 HG LEU A 22 15.332 -2.444 8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.252 -0.176 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.944 -0.254 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.631 0.437 9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.272 -1.736 11.144 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.652 -1.225 11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.978 -2.942 11.340 1.00 0.00 H new ATOM 289 N CYS A 23 13.000 -4.420 7.634 1.00 0.00 N ATOM 290 CA CYS A 23 13.461 -5.641 6.995 1.00 0.00 C ATOM 291 C CYS A 23 12.239 -6.404 6.478 1.00 0.00 C ATOM 292 O CYS A 23 11.104 -5.988 6.701 1.00 0.00 O ATOM 293 CB CYS A 23 14.306 -6.493 7.944 1.00 0.00 C ATOM 294 SG CYS A 23 13.564 -6.486 9.618 1.00 0.00 S ATOM 0 H CYS A 23 12.394 -4.564 8.442 1.00 0.00 H new ATOM 0 HA CYS A 23 14.114 -5.392 6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.370 -7.515 7.570 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.324 -6.105 7.986 1.00 0.00 H new ATOM 0 HG CYS A 23 14.287 -7.214 10.416 1.00 0.00 H new ATOM 299 N GLY A 24 12.515 -7.506 5.796 1.00 0.00 N ATOM 300 CA GLY A 24 11.453 -8.330 5.246 1.00 0.00 C ATOM 301 C GLY A 24 11.829 -9.812 5.290 1.00 0.00 C ATOM 302 O GLY A 24 11.855 -10.482 4.259 1.00 0.00 O ATOM 0 H GLY A 24 13.459 -7.847 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.534 -8.168 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.253 -8.032 4.217 1.00 0.00 H new ATOM 306 N ALA A 25 12.113 -10.281 6.497 1.00 0.00 N ATOM 307 CA ALA A 25 12.488 -11.671 6.690 1.00 0.00 C ATOM 308 C ALA A 25 11.332 -12.418 7.359 1.00 0.00 C ATOM 309 O ALA A 25 11.360 -13.643 7.467 1.00 0.00 O ATOM 310 CB ALA A 25 13.780 -11.744 7.507 1.00 0.00 C ATOM 0 H ALA A 25 12.091 -9.723 7.350 1.00 0.00 H new ATOM 0 HA ALA A 25 12.682 -12.153 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.061 -12.787 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.577 -11.224 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.624 -11.273 8.477 1.00 0.00 H new ATOM 316 N THR A 26 10.344 -11.649 7.789 1.00 0.00 N ATOM 317 CA THR A 26 9.180 -12.222 8.444 1.00 0.00 C ATOM 318 C THR A 26 7.959 -12.147 7.526 1.00 0.00 C ATOM 319 O THR A 26 7.935 -11.357 6.583 1.00 0.00 O ATOM 320 CB THR A 26 8.984 -11.497 9.778 1.00 0.00 C ATOM 321 OG1 THR A 26 10.309 -11.275 10.251 1.00 0.00 O ATOM 322 CG2 THR A 26 8.354 -12.395 10.845 1.00 0.00 C ATOM 0 H THR A 26 10.325 -10.633 7.697 1.00 0.00 H new ATOM 0 HA THR A 26 9.325 -13.282 8.652 1.00 0.00 H new ATOM 0 HB THR A 26 8.356 -10.619 9.625 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.275 -10.808 11.112 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.237 -11.832 11.771 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.377 -12.737 10.502 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.998 -13.256 11.023 1.00 0.00 H new ATOM 330 N TRP A 27 6.975 -12.978 7.834 1.00 0.00 N ATOM 331 CA TRP A 27 5.753 -13.015 7.048 1.00 0.00 C ATOM 332 C TRP A 27 4.574 -12.772 7.993 1.00 0.00 C ATOM 333 O TRP A 27 4.670 -13.038 9.190 1.00 0.00 O ATOM 334 CB TRP A 27 5.638 -14.329 6.275 1.00 0.00 C ATOM 335 CG TRP A 27 5.738 -15.579 7.153 1.00 0.00 C ATOM 336 CD1 TRP A 27 6.842 -16.146 7.659 1.00 0.00 C ATOM 337 CD2 TRP A 27 4.641 -16.398 7.612 1.00 0.00 C ATOM 338 NE1 TRP A 27 6.539 -17.265 8.407 1.00 0.00 N ATOM 339 CE2 TRP A 27 5.158 -17.424 8.377 1.00 0.00 C ATOM 340 CE3 TRP A 27 3.259 -16.276 7.387 1.00 0.00 C ATOM 341 CZ2 TRP A 27 4.364 -18.406 8.979 1.00 0.00 C ATOM 342 CZ3 TRP A 27 2.478 -17.265 7.995 1.00 0.00 C ATOM 343 CH2 TRP A 27 2.983 -18.305 8.769 1.00 0.00 C ATOM 0 H TRP A 27 6.998 -13.631 8.617 1.00 0.00 H new ATOM 0 HA TRP A 27 5.759 -12.231 6.290 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.685 -14.345 5.745 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.423 -14.364 5.520 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.843 -15.774 7.501 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.205 -17.865 8.893 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.833 -15.482 6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.793 -19.199 9.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.408 -17.218 7.854 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.313 -19.031 9.206 1.00 0.00 H new ATOM 353 N GLY A 28 3.490 -12.270 7.419 1.00 0.00 N ATOM 354 CA GLY A 28 2.295 -11.988 8.196 1.00 0.00 C ATOM 355 C GLY A 28 1.041 -12.080 7.325 1.00 0.00 C ATOM 356 O GLY A 28 0.355 -11.083 7.111 1.00 0.00 O ATOM 0 H GLY A 28 3.415 -12.051 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.220 -12.693 9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.367 -10.992 8.632 1.00 0.00 H new ATOM 360 N ASP A 29 0.780 -13.287 6.846 1.00 0.00 N ATOM 361 CA ASP A 29 -0.379 -13.523 6.003 1.00 0.00 C ATOM 362 C ASP A 29 -1.647 -13.130 6.764 1.00 0.00 C ATOM 363 O ASP A 29 -2.456 -12.348 6.268 1.00 0.00 O ATOM 364 CB ASP A 29 -0.494 -15.001 5.625 1.00 0.00 C ATOM 365 CG ASP A 29 -1.793 -15.387 4.912 1.00 0.00 C ATOM 366 OD1 ASP A 29 -2.299 -14.643 4.060 1.00 0.00 O ATOM 367 OD2 ASP A 29 -2.293 -16.522 5.269 1.00 0.00 O ATOM 0 H ASP A 29 1.352 -14.112 7.026 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.264 -12.927 5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.347 -15.263 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.402 -15.600 6.531 1.00 0.00 H new ATOM 372 N TYR A 30 -1.779 -13.691 7.957 1.00 0.00 N ATOM 373 CA TYR A 30 -2.935 -13.408 8.792 1.00 0.00 C ATOM 374 C TYR A 30 -2.838 -12.011 9.407 1.00 0.00 C ATOM 375 O TYR A 30 -3.734 -11.586 10.136 1.00 0.00 O ATOM 376 CB TYR A 30 -2.909 -14.449 9.914 1.00 0.00 C ATOM 377 CG TYR A 30 -4.289 -14.993 10.290 1.00 0.00 C ATOM 378 CD1 TYR A 30 -5.213 -14.167 10.897 1.00 0.00 C ATOM 379 CD2 TYR A 30 -4.609 -16.307 10.023 1.00 0.00 C ATOM 380 CE1 TYR A 30 -6.512 -14.678 11.252 1.00 0.00 C ATOM 381 CE2 TYR A 30 -5.908 -16.819 10.378 1.00 0.00 C ATOM 382 CZ TYR A 30 -6.796 -15.979 10.974 1.00 0.00 C ATOM 383 OH TYR A 30 -8.022 -16.462 11.310 1.00 0.00 O ATOM 0 H TYR A 30 -1.106 -14.339 8.365 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.852 -13.449 8.205 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.273 -15.280 9.610 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.452 -14.004 10.798 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.962 -13.138 11.106 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.886 -16.953 9.548 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.244 -14.043 11.728 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.171 -17.847 10.175 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.084 -17.405 11.051 1.00 0.00 H new ATOM 392 N HIS A 31 -1.744 -11.335 9.092 1.00 0.00 N ATOM 393 CA HIS A 31 -1.519 -9.994 9.604 1.00 0.00 C ATOM 394 C HIS A 31 -2.101 -8.967 8.630 1.00 0.00 C ATOM 395 O HIS A 31 -2.419 -9.300 7.490 1.00 0.00 O ATOM 396 CB HIS A 31 -0.033 -9.764 9.890 1.00 0.00 C ATOM 397 CG HIS A 31 0.541 -10.687 10.937 1.00 0.00 C ATOM 398 ND1 HIS A 31 1.867 -10.643 11.330 1.00 0.00 N ATOM 399 CD2 HIS A 31 -0.045 -11.678 11.670 1.00 0.00 C ATOM 400 CE1 HIS A 31 2.060 -11.570 12.257 1.00 0.00 C ATOM 401 NE2 HIS A 31 0.875 -12.210 12.466 1.00 0.00 N ATOM 0 H HIS A 31 -1.003 -11.691 8.488 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.036 -9.873 10.556 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.528 -9.888 8.964 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.109 -8.733 10.213 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.081 -11.978 11.612 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.993 -11.781 12.759 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.720 -12.972 13.126 1.00 0.00 H new ATOM 408 N ALA A 32 -2.224 -7.741 9.117 1.00 0.00 N ATOM 409 CA ALA A 32 -2.762 -6.665 8.303 1.00 0.00 C ATOM 410 C ALA A 32 -1.610 -5.890 7.661 1.00 0.00 C ATOM 411 O ALA A 32 -0.515 -5.826 8.217 1.00 0.00 O ATOM 412 CB ALA A 32 -3.655 -5.770 9.166 1.00 0.00 C ATOM 0 H ALA A 32 -1.961 -7.469 10.064 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.379 -7.065 7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.059 -4.962 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.475 -6.360 9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.068 -5.349 9.982 1.00 0.00 H new ATOM 418 N ASP A 33 -1.895 -5.323 6.499 1.00 0.00 N ATOM 419 CA ASP A 33 -0.896 -4.556 5.774 1.00 0.00 C ATOM 420 C ASP A 33 -1.024 -3.078 6.148 1.00 0.00 C ATOM 421 O ASP A 33 -2.098 -2.623 6.538 1.00 0.00 O ATOM 422 CB ASP A 33 -1.096 -4.680 4.262 1.00 0.00 C ATOM 423 CG ASP A 33 0.119 -4.293 3.416 1.00 0.00 C ATOM 424 OD1 ASP A 33 0.568 -3.137 3.434 1.00 0.00 O ATOM 425 OD2 ASP A 33 0.616 -5.248 2.705 1.00 0.00 O ATOM 0 H ASP A 33 -2.804 -5.379 6.041 1.00 0.00 H new ATOM 0 HA ASP A 33 0.087 -4.945 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.369 -5.709 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.938 -4.053 3.969 1.00 0.00 H new ATOM 430 N PHE A 34 0.088 -2.369 6.017 1.00 0.00 N ATOM 431 CA PHE A 34 0.114 -0.952 6.337 1.00 0.00 C ATOM 432 C PHE A 34 0.354 -0.111 5.082 1.00 0.00 C ATOM 433 O PHE A 34 1.121 -0.504 4.205 1.00 0.00 O ATOM 434 CB PHE A 34 1.273 -0.735 7.312 1.00 0.00 C ATOM 435 CG PHE A 34 1.550 0.736 7.630 1.00 0.00 C ATOM 436 CD1 PHE A 34 0.566 1.517 8.150 1.00 0.00 C ATOM 437 CD2 PHE A 34 2.782 1.263 7.392 1.00 0.00 C ATOM 438 CE1 PHE A 34 0.824 2.882 8.445 1.00 0.00 C ATOM 439 CE2 PHE A 34 3.040 2.627 7.688 1.00 0.00 C ATOM 440 CZ PHE A 34 2.056 3.409 8.208 1.00 0.00 C ATOM 0 H PHE A 34 0.977 -2.750 5.694 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.841 -0.650 6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.057 -1.263 8.241 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.175 -1.182 6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.412 1.099 8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.564 0.643 6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.042 3.502 8.858 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.018 3.044 7.500 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.252 4.447 8.433 1.00 0.00 H new ATOM 449 N LEU A 35 -0.318 1.030 5.036 1.00 0.00 N ATOM 450 CA LEU A 35 -0.187 1.931 3.902 1.00 0.00 C ATOM 451 C LEU A 35 1.297 2.166 3.612 1.00 0.00 C ATOM 452 O LEU A 35 1.698 2.266 2.454 1.00 0.00 O ATOM 453 CB LEU A 35 -0.978 3.217 4.146 1.00 0.00 C ATOM 454 CG LEU A 35 -2.014 3.579 3.080 1.00 0.00 C ATOM 455 CD1 LEU A 35 -3.107 4.477 3.660 1.00 0.00 C ATOM 456 CD2 LEU A 35 -1.344 4.209 1.856 1.00 0.00 C ATOM 0 H LEU A 35 -0.955 1.352 5.765 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.620 1.484 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.488 3.130 5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.272 4.043 4.234 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.496 2.660 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.830 4.719 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.611 3.957 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.660 5.396 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.102 4.457 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.819 5.116 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.633 3.503 1.427 1.00 0.00 H new ATOM 467 N GLY A 36 2.071 2.249 4.684 1.00 0.00 N ATOM 468 CA GLY A 36 3.501 2.471 4.559 1.00 0.00 C ATOM 469 C GLY A 36 4.158 1.365 3.731 1.00 0.00 C ATOM 470 O GLY A 36 5.297 1.508 3.290 1.00 0.00 O ATOM 0 H GLY A 36 1.734 2.166 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.683 3.438 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.955 2.507 5.549 1.00 0.00 H new ATOM 474 N GLU A 37 3.410 0.287 3.544 1.00 0.00 N ATOM 475 CA GLU A 37 3.906 -0.843 2.776 1.00 0.00 C ATOM 476 C GLU A 37 4.733 -1.770 3.670 1.00 0.00 C ATOM 477 O GLU A 37 5.796 -2.239 3.268 1.00 0.00 O ATOM 478 CB GLU A 37 4.722 -0.372 1.571 1.00 0.00 C ATOM 479 CG GLU A 37 4.804 -1.464 0.503 1.00 0.00 C ATOM 480 CD GLU A 37 6.099 -1.346 -0.303 1.00 0.00 C ATOM 481 OE1 GLU A 37 7.194 -1.521 0.253 1.00 0.00 O ATOM 482 OE2 GLU A 37 5.940 -1.064 -1.551 1.00 0.00 O ATOM 0 H GLU A 37 2.465 0.172 3.911 1.00 0.00 H new ATOM 0 HA GLU A 37 3.051 -1.403 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.267 0.523 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.726 -0.097 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.754 -2.445 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.947 -1.389 -0.166 1.00 0.00 H new ATOM 488 N ASP A 38 4.213 -2.006 4.865 1.00 0.00 N ATOM 489 CA ASP A 38 4.889 -2.869 5.818 1.00 0.00 C ATOM 490 C ASP A 38 3.850 -3.555 6.708 1.00 0.00 C ATOM 491 O ASP A 38 2.653 -3.306 6.573 1.00 0.00 O ATOM 492 CB ASP A 38 5.826 -2.064 6.721 1.00 0.00 C ATOM 493 CG ASP A 38 5.592 -0.552 6.712 1.00 0.00 C ATOM 494 OD1 ASP A 38 5.473 0.070 5.645 1.00 0.00 O ATOM 495 OD2 ASP A 38 5.531 -0.003 7.878 1.00 0.00 O ATOM 0 H ASP A 38 3.331 -1.614 5.195 1.00 0.00 H new ATOM 0 HA ASP A 38 5.469 -3.601 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.721 -2.427 7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.855 -2.259 6.418 1.00 0.00 H new ATOM 500 N LEU A 39 4.345 -4.404 7.596 1.00 0.00 N ATOM 501 CA LEU A 39 3.473 -5.126 8.507 1.00 0.00 C ATOM 502 C LEU A 39 3.842 -4.770 9.949 1.00 0.00 C ATOM 503 O LEU A 39 4.964 -5.020 10.387 1.00 0.00 O ATOM 504 CB LEU A 39 3.518 -6.627 8.214 1.00 0.00 C ATOM 505 CG LEU A 39 2.279 -7.217 7.539 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.188 -6.777 6.076 1.00 0.00 C ATOM 507 CD2 LEU A 39 2.247 -8.739 7.683 1.00 0.00 C ATOM 0 H LEU A 39 5.338 -4.608 7.704 1.00 0.00 H new ATOM 0 HA LEU A 39 2.435 -4.826 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.382 -6.827 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.682 -7.155 9.153 1.00 0.00 H new ATOM 0 HG LEU A 39 1.397 -6.828 8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.298 -7.211 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.128 -5.690 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.073 -7.117 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.356 -9.132 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.135 -9.167 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.228 -9.004 8.740 1.00 0.00 H new ATOM 518 N PHE A 40 2.876 -4.191 10.646 1.00 0.00 N ATOM 519 CA PHE A 40 3.084 -3.798 12.029 1.00 0.00 C ATOM 520 C PHE A 40 2.378 -4.761 12.986 1.00 0.00 C ATOM 521 O PHE A 40 2.016 -4.383 14.099 1.00 0.00 O ATOM 522 CB PHE A 40 2.481 -2.402 12.194 1.00 0.00 C ATOM 523 CG PHE A 40 0.952 -2.374 12.137 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.319 -2.236 10.942 1.00 0.00 C ATOM 525 CD2 PHE A 40 0.227 -2.487 13.282 1.00 0.00 C ATOM 526 CE1 PHE A 40 -1.100 -2.210 10.889 1.00 0.00 C ATOM 527 CE2 PHE A 40 -1.192 -2.461 13.229 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.825 -2.323 12.034 1.00 0.00 C ATOM 0 H PHE A 40 1.947 -3.984 10.279 1.00 0.00 H new ATOM 0 HA PHE A 40 4.149 -3.812 12.262 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.806 -1.987 13.148 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.875 -1.752 11.413 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.895 -2.146 10.033 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.730 -2.596 14.231 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.603 -2.101 9.940 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.768 -2.551 14.138 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.904 -2.303 11.994 1.00 0.00 H new ATOM 537 N PHE A 41 2.204 -5.989 12.517 1.00 0.00 N ATOM 538 CA PHE A 41 1.547 -7.008 13.316 1.00 0.00 C ATOM 539 C PHE A 41 2.547 -8.072 13.777 1.00 0.00 C ATOM 540 O PHE A 41 2.177 -9.019 14.469 1.00 0.00 O ATOM 541 CB PHE A 41 0.495 -7.669 12.423 1.00 0.00 C ATOM 542 CG PHE A 41 -0.920 -7.636 13.002 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.447 -6.464 13.445 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.653 -8.780 13.072 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.762 -6.434 13.981 1.00 0.00 C ATOM 546 CE2 PHE A 41 -2.967 -8.751 13.608 1.00 0.00 C ATOM 547 CZ PHE A 41 -3.494 -7.577 14.052 1.00 0.00 C ATOM 0 H PHE A 41 2.507 -6.300 11.594 1.00 0.00 H new ATOM 0 HA PHE A 41 1.102 -6.556 14.202 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.492 -7.171 11.453 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.781 -8.706 12.248 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.866 -5.555 13.389 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.235 -9.711 12.719 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.180 -5.502 14.332 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.548 -9.660 13.664 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.493 -7.554 14.461 1.00 0.00 H new ATOM 556 N CYS A 42 3.795 -7.878 13.375 1.00 0.00 N ATOM 557 CA CYS A 42 4.851 -8.808 13.738 1.00 0.00 C ATOM 558 C CYS A 42 5.605 -8.233 14.939 1.00 0.00 C ATOM 559 O CYS A 42 5.654 -8.855 16.001 1.00 0.00 O ATOM 560 CB CYS A 42 5.785 -9.091 12.560 1.00 0.00 C ATOM 561 SG CYS A 42 4.865 -8.952 10.984 1.00 0.00 S ATOM 0 H CYS A 42 4.098 -7.091 12.802 1.00 0.00 H new ATOM 0 HA CYS A 42 4.415 -9.769 14.010 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.617 -8.387 12.568 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.211 -10.090 12.655 1.00 0.00 H new ATOM 0 HG CYS A 42 3.732 -9.582 11.086 1.00 0.00 H new ATOM 566 N CYS A 43 6.173 -7.055 14.732 1.00 0.00 N ATOM 567 CA CYS A 43 6.922 -6.391 15.785 1.00 0.00 C ATOM 568 C CYS A 43 6.125 -5.167 16.243 1.00 0.00 C ATOM 569 O CYS A 43 5.752 -5.067 17.410 1.00 0.00 O ATOM 570 CB CYS A 43 8.333 -6.014 15.325 1.00 0.00 C ATOM 571 SG CYS A 43 9.273 -7.523 14.893 1.00 0.00 S ATOM 0 H CYS A 43 6.130 -6.543 13.851 1.00 0.00 H new ATOM 0 HA CYS A 43 7.055 -7.072 16.625 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.278 -5.350 14.462 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.848 -5.468 16.115 1.00 0.00 H new ATOM 0 HG CYS A 43 10.468 -7.193 14.502 1.00 0.00 H new ATOM 576 N ASP A 44 5.889 -4.268 15.299 1.00 0.00 N ATOM 577 CA ASP A 44 5.143 -3.056 15.590 1.00 0.00 C ATOM 578 C ASP A 44 5.980 -2.154 16.500 1.00 0.00 C ATOM 579 O ASP A 44 5.446 -1.260 17.155 1.00 0.00 O ATOM 580 CB ASP A 44 3.834 -3.375 16.316 1.00 0.00 C ATOM 581 CG ASP A 44 2.824 -2.226 16.364 1.00 0.00 C ATOM 582 OD1 ASP A 44 2.562 -1.564 15.349 1.00 0.00 O ATOM 583 OD2 ASP A 44 2.291 -2.017 17.519 1.00 0.00 O ATOM 0 H ASP A 44 6.201 -4.355 14.332 1.00 0.00 H new ATOM 0 HA ASP A 44 4.920 -2.562 14.644 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.365 -4.230 15.829 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.067 -3.677 17.337 1.00 0.00 H new ATOM 588 N ILE A 45 7.278 -2.419 16.512 1.00 0.00 N ATOM 589 CA ILE A 45 8.193 -1.643 17.330 1.00 0.00 C ATOM 590 C ILE A 45 8.973 -0.676 16.438 1.00 0.00 C ATOM 591 O ILE A 45 8.999 0.527 16.695 1.00 0.00 O ATOM 592 CB ILE A 45 9.085 -2.568 18.161 1.00 0.00 C ATOM 593 CG1 ILE A 45 9.925 -1.769 19.159 1.00 0.00 C ATOM 594 CG2 ILE A 45 9.952 -3.450 17.259 1.00 0.00 C ATOM 595 CD1 ILE A 45 9.833 -2.374 20.561 1.00 0.00 C ATOM 0 H ILE A 45 7.718 -3.161 15.968 1.00 0.00 H new ATOM 0 HA ILE A 45 7.641 -1.039 18.050 1.00 0.00 H new ATOM 0 HB ILE A 45 8.443 -3.232 18.740 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.965 -1.753 18.834 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.582 -0.735 19.182 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.576 -4.098 17.875 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.311 -4.061 16.623 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.587 -2.820 16.636 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.439 -1.787 21.251 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.795 -2.366 20.893 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.199 -3.400 20.539 1.00 0.00 H new ATOM 606 N CYS A 46 9.589 -1.237 15.408 1.00 0.00 N ATOM 607 CA CYS A 46 10.368 -0.439 14.476 1.00 0.00 C ATOM 608 C CYS A 46 9.513 -0.183 13.232 1.00 0.00 C ATOM 609 O CYS A 46 9.817 0.706 12.438 1.00 0.00 O ATOM 610 CB CYS A 46 11.697 -1.111 14.128 1.00 0.00 C ATOM 611 SG CYS A 46 11.389 -2.692 13.258 1.00 0.00 S ATOM 0 H CYS A 46 9.565 -2.235 15.198 1.00 0.00 H new ATOM 0 HA CYS A 46 10.629 0.513 14.938 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.294 -0.451 13.499 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.271 -1.292 15.036 1.00 0.00 H new ATOM 0 HG CYS A 46 12.524 -3.254 12.965 1.00 0.00 H new ATOM 616 N ALA A 47 8.463 -0.980 13.101 1.00 0.00 N ATOM 617 CA ALA A 47 7.564 -0.852 11.967 1.00 0.00 C ATOM 618 C ALA A 47 6.319 -0.072 12.396 1.00 0.00 C ATOM 619 O ALA A 47 6.111 0.169 13.583 1.00 0.00 O ATOM 620 CB ALA A 47 7.223 -2.242 11.425 1.00 0.00 C ATOM 0 H ALA A 47 8.215 -1.717 13.761 1.00 0.00 H new ATOM 0 HA ALA A 47 8.041 -0.296 11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.548 -2.145 10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.137 -2.743 11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.740 -2.829 12.206 1.00 0.00 H new ATOM 626 N ALA A 48 5.524 0.301 11.404 1.00 0.00 N ATOM 627 CA ALA A 48 4.305 1.049 11.662 1.00 0.00 C ATOM 628 C ALA A 48 4.661 2.507 11.962 1.00 0.00 C ATOM 629 O ALA A 48 4.441 2.987 13.073 1.00 0.00 O ATOM 630 CB ALA A 48 3.534 0.390 12.807 1.00 0.00 C ATOM 0 H ALA A 48 5.700 0.099 10.420 1.00 0.00 H new ATOM 0 HA ALA A 48 3.657 1.041 10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.620 0.951 13.000 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.280 -0.634 12.533 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.152 0.383 13.705 1.00 0.00 H new ATOM 636 N GLU A 49 5.202 3.170 10.952 1.00 0.00 N ATOM 637 CA GLU A 49 5.590 4.564 11.093 1.00 0.00 C ATOM 638 C GLU A 49 4.385 5.476 10.857 1.00 0.00 C ATOM 639 O GLU A 49 3.462 5.117 10.127 1.00 0.00 O ATOM 640 CB GLU A 49 6.736 4.913 10.141 1.00 0.00 C ATOM 641 CG GLU A 49 8.037 5.142 10.913 1.00 0.00 C ATOM 642 CD GLU A 49 9.244 5.126 9.971 1.00 0.00 C ATOM 643 OE1 GLU A 49 9.938 4.103 9.871 1.00 0.00 O ATOM 644 OE2 GLU A 49 9.448 6.225 9.328 1.00 0.00 O ATOM 0 H GLU A 49 5.381 2.768 10.032 1.00 0.00 H new ATOM 0 HA GLU A 49 5.946 4.721 12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.873 4.107 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.483 5.809 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.991 6.098 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.154 4.369 11.673 1.00 0.00 H new ATOM 650 N PHE A 50 4.432 6.640 11.489 1.00 0.00 N ATOM 651 CA PHE A 50 3.356 7.608 11.357 1.00 0.00 C ATOM 652 C PHE A 50 3.522 8.443 10.087 1.00 0.00 C ATOM 653 O PHE A 50 2.726 9.343 9.822 1.00 0.00 O ATOM 654 CB PHE A 50 3.432 8.530 12.575 1.00 0.00 C ATOM 655 CG PHE A 50 4.329 9.753 12.373 1.00 0.00 C ATOM 656 CD1 PHE A 50 5.678 9.600 12.285 1.00 0.00 C ATOM 657 CD2 PHE A 50 3.779 10.993 12.280 1.00 0.00 C ATOM 658 CE1 PHE A 50 6.511 10.735 12.098 1.00 0.00 C ATOM 659 CE2 PHE A 50 4.612 12.129 12.093 1.00 0.00 C ATOM 660 CZ PHE A 50 5.960 11.974 12.005 1.00 0.00 C ATOM 0 H PHE A 50 5.199 6.935 12.094 1.00 0.00 H new ATOM 0 HA PHE A 50 2.397 7.093 11.297 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.426 8.867 12.826 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.799 7.959 13.428 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.116 8.615 12.357 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.708 11.115 12.348 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.582 10.614 12.030 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.175 13.114 12.021 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.594 12.837 11.861 1.00 0.00 H new ATOM 669 N MET A 51 4.562 8.116 9.333 1.00 0.00 N ATOM 670 CA MET A 51 4.843 8.826 8.097 1.00 0.00 C ATOM 671 C MET A 51 3.628 8.809 7.166 1.00 0.00 C ATOM 672 O MET A 51 3.556 9.589 6.219 1.00 0.00 O ATOM 673 CB MET A 51 6.034 8.173 7.393 1.00 0.00 C ATOM 674 CG MET A 51 7.357 8.738 7.917 1.00 0.00 C ATOM 675 SD MET A 51 8.368 9.291 6.554 1.00 0.00 S ATOM 676 CE MET A 51 9.891 8.442 6.933 1.00 0.00 C ATOM 0 H MET A 51 5.220 7.369 9.555 1.00 0.00 H new ATOM 0 HA MET A 51 5.076 9.863 8.340 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.007 7.095 7.550 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.963 8.341 6.318 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.164 9.568 8.597 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.887 7.975 8.487 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.638 8.678 6.175 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.252 8.762 7.910 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.715 7.366 6.945 1.00 0.00 H new ATOM 684 N ASN A 52 2.703 7.909 7.469 1.00 0.00 N ATOM 685 CA ASN A 52 1.496 7.779 6.672 1.00 0.00 C ATOM 686 C ASN A 52 0.338 8.475 7.392 1.00 0.00 C ATOM 687 O ASN A 52 0.522 9.039 8.469 1.00 0.00 O ATOM 688 CB ASN A 52 1.118 6.309 6.480 1.00 0.00 C ATOM 689 CG ASN A 52 0.871 5.995 5.003 1.00 0.00 C ATOM 690 OD1 ASN A 52 -0.192 6.243 4.458 1.00 0.00 O ATOM 691 ND2 ASN A 52 1.910 5.438 4.388 1.00 0.00 N ATOM 0 H ASN A 52 2.766 7.263 8.256 1.00 0.00 H new ATOM 0 HA ASN A 52 1.684 8.233 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.915 5.672 6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.223 6.081 7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.846 5.191 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.771 5.257 4.904 1.00 0.00 H new ATOM 697 N MET A 53 -0.829 8.412 6.766 1.00 0.00 N ATOM 698 CA MET A 53 -2.015 9.029 7.333 1.00 0.00 C ATOM 699 C MET A 53 -2.849 8.005 8.107 1.00 0.00 C ATOM 700 O MET A 53 -2.556 6.810 8.076 1.00 0.00 O ATOM 701 CB MET A 53 -2.863 9.633 6.211 1.00 0.00 C ATOM 702 CG MET A 53 -3.465 10.973 6.640 1.00 0.00 C ATOM 703 SD MET A 53 -3.348 12.150 5.302 1.00 0.00 S ATOM 704 CE MET A 53 -1.624 12.593 5.429 1.00 0.00 C ATOM 0 H MET A 53 -0.977 7.943 5.872 1.00 0.00 H new ATOM 0 HA MET A 53 -1.700 9.811 8.024 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.249 9.774 5.322 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.661 8.941 5.941 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.508 10.838 6.926 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.940 11.353 7.517 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.530 13.678 5.476 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.201 12.153 6.332 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.087 12.219 4.557 1.00 0.00 H new ATOM 712 N MET A 54 -3.870 8.511 8.782 1.00 0.00 N ATOM 713 CA MET A 54 -4.749 7.656 9.562 1.00 0.00 C ATOM 714 C MET A 54 -5.364 6.560 8.690 1.00 0.00 C ATOM 715 O MET A 54 -5.575 5.439 9.151 1.00 0.00 O ATOM 716 CB MET A 54 -5.863 8.500 10.186 1.00 0.00 C ATOM 717 CG MET A 54 -5.316 9.387 11.306 1.00 0.00 C ATOM 718 SD MET A 54 -5.571 11.107 10.902 1.00 0.00 S ATOM 719 CE MET A 54 -3.900 11.714 11.065 1.00 0.00 C ATOM 0 H MET A 54 -4.109 9.502 8.805 1.00 0.00 H new ATOM 0 HA MET A 54 -4.160 7.181 10.346 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.327 9.121 9.419 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.641 7.847 10.581 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.813 9.148 12.246 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.253 9.192 11.449 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.878 12.781 10.846 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.549 11.545 12.083 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.251 11.186 10.366 1.00 0.00 H new ATOM 727 N ASP A 55 -5.637 6.923 7.445 1.00 0.00 N ATOM 728 CA ASP A 55 -6.225 5.985 6.504 1.00 0.00 C ATOM 729 C ASP A 55 -5.500 4.642 6.608 1.00 0.00 C ATOM 730 O ASP A 55 -6.115 3.587 6.460 1.00 0.00 O ATOM 731 CB ASP A 55 -6.085 6.488 5.066 1.00 0.00 C ATOM 732 CG ASP A 55 -6.462 7.955 4.854 1.00 0.00 C ATOM 733 OD1 ASP A 55 -5.606 8.795 4.540 1.00 0.00 O ATOM 734 OD2 ASP A 55 -7.711 8.227 5.025 1.00 0.00 O ATOM 0 H ASP A 55 -5.462 7.854 7.066 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.282 5.880 6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.053 6.344 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.709 5.871 4.419 1.00 0.00 H new ATOM 739 N GLU A 56 -4.202 4.724 6.863 1.00 0.00 N ATOM 740 CA GLU A 56 -3.386 3.529 6.989 1.00 0.00 C ATOM 741 C GLU A 56 -4.099 2.490 7.856 1.00 0.00 C ATOM 742 O GLU A 56 -4.099 1.302 7.533 1.00 0.00 O ATOM 743 CB GLU A 56 -2.006 3.864 7.558 1.00 0.00 C ATOM 744 CG GLU A 56 -2.119 4.417 8.980 1.00 0.00 C ATOM 745 CD GLU A 56 -2.054 3.291 10.014 1.00 0.00 C ATOM 746 OE1 GLU A 56 -2.225 2.115 9.660 1.00 0.00 O ATOM 747 OE2 GLU A 56 -1.813 3.673 11.222 1.00 0.00 O ATOM 0 H GLU A 56 -3.695 5.601 6.986 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.239 3.106 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.383 2.970 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.512 4.595 6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.314 5.129 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.057 4.961 9.089 1.00 0.00 H new ATOM 753 N ALA A 57 -4.689 2.973 8.939 1.00 0.00 N ATOM 754 CA ALA A 57 -5.404 2.100 9.855 1.00 0.00 C ATOM 755 C ALA A 57 -6.614 1.498 9.138 1.00 0.00 C ATOM 756 O ALA A 57 -6.804 0.282 9.149 1.00 0.00 O ATOM 757 CB ALA A 57 -5.799 2.887 11.106 1.00 0.00 C ATOM 0 H ALA A 57 -4.687 3.958 9.203 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.767 1.276 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.335 2.233 11.793 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.902 3.269 11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.441 3.721 10.823 1.00 0.00 H new ATOM 763 N PHE A 58 -7.400 2.376 8.534 1.00 0.00 N ATOM 764 CA PHE A 58 -8.587 1.945 7.814 1.00 0.00 C ATOM 765 C PHE A 58 -8.264 0.787 6.868 1.00 0.00 C ATOM 766 O PHE A 58 -9.088 -0.106 6.670 1.00 0.00 O ATOM 767 CB PHE A 58 -9.069 3.142 6.991 1.00 0.00 C ATOM 768 CG PHE A 58 -10.380 3.752 7.489 1.00 0.00 C ATOM 769 CD1 PHE A 58 -10.388 4.526 8.608 1.00 0.00 C ATOM 770 CD2 PHE A 58 -11.538 3.523 6.814 1.00 0.00 C ATOM 771 CE1 PHE A 58 -11.605 5.092 9.071 1.00 0.00 C ATOM 772 CE2 PHE A 58 -12.755 4.090 7.276 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.763 4.862 8.396 1.00 0.00 C ATOM 0 H PHE A 58 -7.239 3.383 8.528 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.346 1.603 8.518 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.296 3.911 7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.196 2.830 5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.469 4.710 9.144 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -11.532 2.909 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -11.611 5.706 9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -13.674 3.908 6.738 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.689 5.292 8.749 1.00 0.00 H new ATOM 782 N LYS A 59 -7.065 0.839 6.308 1.00 0.00 N ATOM 783 CA LYS A 59 -6.623 -0.195 5.387 1.00 0.00 C ATOM 784 C LYS A 59 -6.974 -1.568 5.963 1.00 0.00 C ATOM 785 O LYS A 59 -7.641 -2.367 5.309 1.00 0.00 O ATOM 786 CB LYS A 59 -5.137 -0.025 5.063 1.00 0.00 C ATOM 787 CG LYS A 59 -4.865 1.346 4.442 1.00 0.00 C ATOM 788 CD LYS A 59 -5.823 1.622 3.281 1.00 0.00 C ATOM 789 CE LYS A 59 -5.792 0.481 2.261 1.00 0.00 C ATOM 790 NZ LYS A 59 -6.798 0.708 1.200 1.00 0.00 N ATOM 0 H LYS A 59 -6.385 1.581 6.474 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.145 -0.105 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.547 -0.140 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.819 -0.809 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.975 2.121 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.835 1.391 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.836 1.746 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.549 2.558 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.798 0.407 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.989 -0.467 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.158 -0.207 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.585 1.270 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.359 1.221 0.409 1.00 0.00 H new ATOM 799 N HIS A 60 -6.508 -1.800 7.181 1.00 0.00 N ATOM 800 CA HIS A 60 -6.765 -3.063 7.852 1.00 0.00 C ATOM 801 C HIS A 60 -8.259 -3.385 7.787 1.00 0.00 C ATOM 802 O HIS A 60 -8.647 -4.454 7.319 1.00 0.00 O ATOM 803 CB HIS A 60 -6.227 -3.036 9.284 1.00 0.00 C ATOM 804 CG HIS A 60 -7.217 -3.510 10.321 1.00 0.00 C ATOM 805 ND1 HIS A 60 -7.420 -4.849 10.608 1.00 0.00 N ATOM 806 CD2 HIS A 60 -8.056 -2.810 11.138 1.00 0.00 C ATOM 807 CE1 HIS A 60 -8.343 -4.939 11.554 1.00 0.00 C ATOM 808 NE2 HIS A 60 -8.736 -3.675 11.881 1.00 0.00 N ATOM 0 H HIS A 60 -5.954 -1.135 7.721 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.233 -3.865 7.340 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.334 -3.659 9.338 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.921 -2.018 9.527 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.151 -1.735 11.174 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.718 -5.853 11.990 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.437 -3.434 12.581 1.00 0.00 H new ATOM 815 N THR A 61 -9.057 -2.440 8.262 1.00 0.00 N ATOM 816 CA THR A 61 -10.500 -2.610 8.263 1.00 0.00 C ATOM 817 C THR A 61 -11.014 -2.821 6.837 1.00 0.00 C ATOM 818 O THR A 61 -11.963 -3.571 6.620 1.00 0.00 O ATOM 819 CB THR A 61 -11.118 -1.395 8.958 1.00 0.00 C ATOM 820 OG1 THR A 61 -10.981 -1.682 10.347 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.630 -1.306 8.744 1.00 0.00 C ATOM 0 H THR A 61 -8.732 -1.554 8.649 1.00 0.00 H new ATOM 0 HA THR A 61 -10.793 -3.503 8.815 1.00 0.00 H new ATOM 0 HB THR A 61 -10.644 -0.486 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.355 -0.944 10.872 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.019 -0.427 9.257 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.843 -1.227 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.107 -2.201 9.144 1.00 0.00 H new ATOM 829 N ALA A 62 -10.361 -2.146 5.902 1.00 0.00 N ATOM 830 CA ALA A 62 -10.740 -2.250 4.503 1.00 0.00 C ATOM 831 C ALA A 62 -10.592 -3.702 4.046 1.00 0.00 C ATOM 832 O ALA A 62 -11.526 -4.282 3.494 1.00 0.00 O ATOM 833 CB ALA A 62 -9.890 -1.288 3.672 1.00 0.00 C ATOM 0 H ALA A 62 -9.573 -1.526 6.086 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.783 -1.966 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.174 -1.366 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.053 -0.267 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.836 -1.545 3.783 1.00 0.00 H new ATOM 839 N ARG A 63 -9.410 -4.250 4.292 1.00 0.00 N ATOM 840 CA ARG A 63 -9.127 -5.623 3.913 1.00 0.00 C ATOM 841 C ARG A 63 -9.549 -6.579 5.030 1.00 0.00 C ATOM 842 O ARG A 63 -9.232 -7.767 4.988 1.00 0.00 O ATOM 843 CB ARG A 63 -7.639 -5.818 3.619 1.00 0.00 C ATOM 844 CG ARG A 63 -6.858 -4.524 3.859 1.00 0.00 C ATOM 845 CD ARG A 63 -5.439 -4.626 3.296 1.00 0.00 C ATOM 846 NE ARG A 63 -5.246 -3.626 2.222 1.00 0.00 N ATOM 847 CZ ARG A 63 -4.349 -2.620 2.277 1.00 0.00 C ATOM 848 NH1 ARG A 63 -3.550 -2.472 3.357 1.00 0.00 N ATOM 849 NH2 ARG A 63 -4.262 -1.784 1.261 1.00 0.00 N ATOM 0 H ARG A 63 -8.637 -3.767 4.750 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.695 -5.841 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.240 -6.610 4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.508 -6.140 2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.379 -3.689 3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.815 -4.314 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.711 -4.463 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.265 -5.629 2.906 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.828 -3.702 1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.623 -3.124 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.874 -1.709 3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.868 -1.903 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.589 -1.018 1.287 1.00 0.00 H new ATOM 859 N HIS A 64 -10.256 -6.027 6.004 1.00 0.00 N ATOM 860 CA HIS A 64 -10.724 -6.815 7.131 1.00 0.00 C ATOM 861 C HIS A 64 -11.913 -7.674 6.697 1.00 0.00 C ATOM 862 O HIS A 64 -11.906 -8.890 6.884 1.00 0.00 O ATOM 863 CB HIS A 64 -11.045 -5.918 8.327 1.00 0.00 C ATOM 864 CG HIS A 64 -11.497 -6.670 9.556 1.00 0.00 C ATOM 865 ND1 HIS A 64 -12.444 -6.367 10.489 1.00 0.00 N flip ATOM 866 CD2 HIS A 64 -10.954 -7.886 9.933 1.00 0.00 C flip ATOM 867 CE1 HIS A 64 -12.478 -7.344 11.387 1.00 0.00 C flip ATOM 868 NE2 HIS A 64 -11.554 -8.286 11.044 1.00 0.00 N flip ATOM 0 H HIS A 64 -10.517 -5.041 6.036 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.934 -7.489 7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.160 -5.333 8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.824 -5.211 8.039 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.173 -8.418 9.410 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.130 -7.386 12.247 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.359 -9.148 11.554 1.00 0.00 H new ATOM 875 N ASN A 65 -12.907 -7.008 6.127 1.00 0.00 N ATOM 876 CA ASN A 65 -14.101 -7.696 5.666 1.00 0.00 C ATOM 877 C ASN A 65 -14.189 -7.588 4.142 1.00 0.00 C ATOM 878 O ASN A 65 -14.111 -8.595 3.439 1.00 0.00 O ATOM 879 CB ASN A 65 -15.363 -7.065 6.257 1.00 0.00 C ATOM 880 CG ASN A 65 -15.230 -6.892 7.772 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.304 -6.276 8.273 1.00 0.00 O ATOM 882 ND2 ASN A 65 -16.205 -7.468 8.469 1.00 0.00 N ATOM 0 H ASN A 65 -12.910 -6.000 5.974 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.035 -8.737 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.542 -6.096 5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.227 -7.691 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.207 -7.409 9.487 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.951 -7.969 7.985 1.00 0.00 H new ATOM 888 N VAL A 66 -14.349 -6.359 3.675 1.00 0.00 N ATOM 889 CA VAL A 66 -14.448 -6.108 2.247 1.00 0.00 C ATOM 890 C VAL A 66 -13.067 -5.735 1.703 1.00 0.00 C ATOM 891 O VAL A 66 -12.048 -6.141 2.257 1.00 0.00 O ATOM 892 CB VAL A 66 -15.506 -5.036 1.978 1.00 0.00 C ATOM 893 CG1 VAL A 66 -14.919 -3.631 2.140 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.125 -5.213 0.589 1.00 0.00 C ATOM 0 H VAL A 66 -14.413 -5.526 4.260 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.773 -7.006 1.722 1.00 0.00 H new ATOM 0 HB VAL A 66 -16.298 -5.156 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.692 -2.889 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.548 -3.507 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -14.099 -3.496 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.874 -4.438 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.346 -5.133 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.596 -6.194 0.523 1.00 0.00 H new ATOM 904 N ASP A 67 -13.080 -4.967 0.623 1.00 0.00 N ATOM 905 CA ASP A 67 -11.842 -4.536 -0.003 1.00 0.00 C ATOM 906 C ASP A 67 -11.967 -3.067 -0.413 1.00 0.00 C ATOM 907 O ASP A 67 -12.943 -2.678 -1.053 1.00 0.00 O ATOM 908 CB ASP A 67 -11.548 -5.354 -1.262 1.00 0.00 C ATOM 909 CG ASP A 67 -10.075 -5.714 -1.470 1.00 0.00 C ATOM 910 OD1 ASP A 67 -9.198 -5.277 -0.710 1.00 0.00 O ATOM 911 OD2 ASP A 67 -9.839 -6.487 -2.476 1.00 0.00 O ATOM 0 H ASP A 67 -13.928 -4.632 0.166 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.034 -4.676 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.130 -6.275 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.896 -4.794 -2.130 1.00 0.00 H new ATOM 916 N GLU A 68 -10.966 -2.291 -0.026 1.00 0.00 N ATOM 917 CA GLU A 68 -10.951 -0.873 -0.345 1.00 0.00 C ATOM 918 C GLU A 68 -9.527 -0.415 -0.663 1.00 0.00 C ATOM 919 O GLU A 68 -8.574 -0.836 -0.008 1.00 0.00 O ATOM 920 CB GLU A 68 -11.550 -0.049 0.796 1.00 0.00 C ATOM 921 CG GLU A 68 -10.500 0.875 1.415 1.00 0.00 C ATOM 922 CD GLU A 68 -11.008 1.488 2.721 1.00 0.00 C ATOM 923 OE1 GLU A 68 -10.755 2.670 2.993 1.00 0.00 O ATOM 924 OE2 GLU A 68 -11.693 0.687 3.468 1.00 0.00 O ATOM 0 H GLU A 68 -10.159 -2.617 0.506 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.568 -0.713 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.385 0.543 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.949 -0.716 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.584 0.315 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.248 1.668 0.711 1.00 0.00 H new ATOM 930 N LEU A 69 -9.425 0.441 -1.670 1.00 0.00 N ATOM 931 CA LEU A 69 -8.133 0.961 -2.082 1.00 0.00 C ATOM 932 C LEU A 69 -8.243 2.471 -2.304 1.00 0.00 C ATOM 933 O LEU A 69 -9.157 2.937 -2.982 1.00 0.00 O ATOM 934 CB LEU A 69 -7.613 0.197 -3.302 1.00 0.00 C ATOM 935 CG LEU A 69 -7.423 1.019 -4.577 1.00 0.00 C ATOM 936 CD1 LEU A 69 -6.151 1.866 -4.499 1.00 0.00 C ATOM 937 CD2 LEU A 69 -7.437 0.121 -5.816 1.00 0.00 C ATOM 0 H LEU A 69 -10.217 0.787 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.392 0.807 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.657 -0.258 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.305 -0.617 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.264 1.707 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.040 2.441 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.219 2.547 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.287 1.214 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.300 0.731 -6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.629 -0.607 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.392 -0.401 -5.876 1.00 0.00 H new ATOM 948 N HIS A 70 -7.297 3.192 -1.719 1.00 0.00 N ATOM 949 CA HIS A 70 -7.276 4.640 -1.846 1.00 0.00 C ATOM 950 C HIS A 70 -5.828 5.127 -1.932 1.00 0.00 C ATOM 951 O HIS A 70 -4.955 4.616 -1.233 1.00 0.00 O ATOM 952 CB HIS A 70 -8.054 5.295 -0.702 1.00 0.00 C ATOM 953 CG HIS A 70 -8.816 6.534 -1.109 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.894 6.501 -1.977 1.00 0.00 N ATOM 955 CD2 HIS A 70 -8.645 7.841 -0.758 1.00 0.00 C ATOM 956 CE1 HIS A 70 -10.342 7.737 -2.134 1.00 0.00 C ATOM 957 NE2 HIS A 70 -9.567 8.566 -1.378 1.00 0.00 N ATOM 0 H HIS A 70 -6.541 2.801 -1.157 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.777 4.936 -2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.755 4.569 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.358 5.554 0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.887 8.221 -0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.175 8.036 -2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.678 9.577 -1.302 1.00 0.00 H new ATOM 964 N ILE A 71 -5.619 6.107 -2.798 1.00 0.00 N ATOM 965 CA ILE A 71 -4.291 6.669 -2.986 1.00 0.00 C ATOM 966 C ILE A 71 -4.388 8.195 -3.018 1.00 0.00 C ATOM 967 O ILE A 71 -5.207 8.754 -3.745 1.00 0.00 O ATOM 968 CB ILE A 71 -3.627 6.068 -4.228 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.739 7.017 -5.423 1.00 0.00 C ATOM 970 CG2 ILE A 71 -4.198 4.683 -4.539 1.00 0.00 C ATOM 971 CD1 ILE A 71 -3.261 6.339 -6.708 1.00 0.00 C ATOM 0 H ILE A 71 -6.346 6.527 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.644 6.408 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.565 5.938 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.774 7.339 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.146 7.912 -5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.709 4.279 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.022 4.019 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.270 4.764 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.351 7.035 -7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.219 6.040 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.872 5.458 -6.903 1.00 0.00 H new ATOM 982 N ASP A 72 -3.538 8.826 -2.221 1.00 0.00 N ATOM 983 CA ASP A 72 -3.517 10.277 -2.149 1.00 0.00 C ATOM 984 C ASP A 72 -2.075 10.753 -1.961 1.00 0.00 C ATOM 985 O ASP A 72 -1.309 10.144 -1.217 1.00 0.00 O ATOM 986 CB ASP A 72 -4.340 10.781 -0.960 1.00 0.00 C ATOM 987 CG ASP A 72 -5.771 10.246 -0.891 1.00 0.00 C ATOM 988 OD1 ASP A 72 -6.173 9.623 0.104 1.00 0.00 O ATOM 989 OD2 ASP A 72 -6.497 10.493 -1.929 1.00 0.00 O ATOM 0 H ASP A 72 -2.859 8.359 -1.620 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.942 10.667 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.823 10.512 -0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.377 11.870 -0.998 1.00 0.00 H new ATOM 994 N GLY A 73 -1.750 11.837 -2.649 1.00 0.00 N ATOM 995 CA GLY A 73 -0.414 12.402 -2.568 1.00 0.00 C ATOM 996 C GLY A 73 -0.470 13.923 -2.410 1.00 0.00 C ATOM 997 O GLY A 73 -1.161 14.604 -3.165 1.00 0.00 O ATOM 0 H GLY A 73 -2.389 12.339 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.119 11.965 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.148 12.147 -3.467 1.00 0.00 H new ATOM 1001 N ASN A 74 0.266 14.410 -1.421 1.00 0.00 N ATOM 1002 CA ASN A 74 0.309 15.838 -1.154 1.00 0.00 C ATOM 1003 C ASN A 74 1.716 16.225 -0.693 1.00 0.00 C ATOM 1004 O ASN A 74 2.342 15.497 0.076 1.00 0.00 O ATOM 1005 CB ASN A 74 -0.674 16.220 -0.045 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.297 17.592 -0.313 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.451 18.021 -1.444 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -1.645 18.252 0.788 1.00 0.00 N ATOM 0 H ASN A 74 0.837 13.841 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 74 0.039 16.361 -2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.459 15.467 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.158 16.232 0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.069 19.177 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.487 17.833 1.705 1.00 0.00 H new ATOM 1014 N TYR A 75 2.171 17.367 -1.183 1.00 0.00 N ATOM 1015 CA TYR A 75 3.492 17.859 -0.831 1.00 0.00 C ATOM 1016 C TYR A 75 3.624 18.042 0.683 1.00 0.00 C ATOM 1017 O TYR A 75 4.729 18.203 1.198 1.00 0.00 O ATOM 1018 CB TYR A 75 3.630 19.223 -1.511 1.00 0.00 C ATOM 1019 CG TYR A 75 5.022 19.494 -2.087 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.139 18.983 -1.460 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.158 20.249 -3.235 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.448 19.237 -2.002 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.468 20.503 -3.777 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.548 19.985 -3.133 1.00 0.00 C ATOM 1025 OH TYR A 75 8.785 20.226 -3.646 1.00 0.00 O ATOM 0 H TYR A 75 1.649 17.967 -1.821 1.00 0.00 H new ATOM 0 HA TYR A 75 4.260 17.154 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.896 19.293 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.389 20.003 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.032 18.392 -0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.283 20.649 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.331 18.842 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.590 21.091 -4.674 1.00 0.00 H new ATOM 0 HH TYR A 75 8.703 20.772 -4.455 1.00 0.00 H new ATOM 1034 N GLN A 76 2.481 18.011 1.352 1.00 0.00 N ATOM 1035 CA GLN A 76 2.455 18.171 2.796 1.00 0.00 C ATOM 1036 C GLN A 76 2.330 16.808 3.479 1.00 0.00 C ATOM 1037 O GLN A 76 2.424 16.710 4.701 1.00 0.00 O ATOM 1038 CB GLN A 76 1.321 19.105 3.224 1.00 0.00 C ATOM 1039 CG GLN A 76 1.872 20.438 3.732 1.00 0.00 C ATOM 1040 CD GLN A 76 1.152 20.877 5.010 1.00 0.00 C ATOM 1041 OE1 GLN A 76 -0.049 20.719 5.161 1.00 0.00 O ATOM 1042 NE2 GLN A 76 1.950 21.436 5.915 1.00 0.00 N ATOM 0 H GLN A 76 1.566 17.877 0.921 1.00 0.00 H new ATOM 0 HA GLN A 76 3.394 18.627 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.652 19.281 2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.729 18.630 4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.940 20.344 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.754 21.201 2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.947 21.537 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.565 21.764 6.801 1.00 0.00 H new ATOM 1049 N LEU A 77 2.118 15.788 2.659 1.00 0.00 N ATOM 1050 CA LEU A 77 1.979 14.434 3.169 1.00 0.00 C ATOM 1051 C LEU A 77 3.146 14.125 4.108 1.00 0.00 C ATOM 1052 O LEU A 77 2.943 13.621 5.212 1.00 0.00 O ATOM 1053 CB LEU A 77 1.839 13.439 2.015 1.00 0.00 C ATOM 1054 CG LEU A 77 1.893 11.958 2.396 1.00 0.00 C ATOM 1055 CD1 LEU A 77 1.154 11.100 1.367 1.00 0.00 C ATOM 1056 CD2 LEU A 77 3.338 11.497 2.596 1.00 0.00 C ATOM 0 H LEU A 77 2.039 15.872 1.646 1.00 0.00 H new ATOM 0 HA LEU A 77 1.064 14.340 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.892 13.630 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.631 13.637 1.293 1.00 0.00 H new ATOM 0 HG LEU A 77 1.379 11.831 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.208 10.052 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.110 11.410 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.617 11.226 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.349 10.441 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.897 11.641 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.799 12.080 3.393 1.00 0.00 H new ATOM 1067 N GLY A 78 4.344 14.440 3.637 1.00 0.00 N ATOM 1068 CA GLY A 78 5.542 14.202 4.422 1.00 0.00 C ATOM 1069 C GLY A 78 6.696 13.734 3.532 1.00 0.00 C ATOM 1070 O GLY A 78 7.567 12.988 3.980 1.00 0.00 O ATOM 0 H GLY A 78 4.510 14.858 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.827 15.116 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.338 13.450 5.185 1.00 0.00 H new ATOM 1074 N ARG A 79 6.664 14.188 2.287 1.00 0.00 N ATOM 1075 CA ARG A 79 7.695 13.823 1.331 1.00 0.00 C ATOM 1076 C ARG A 79 7.933 12.312 1.357 1.00 0.00 C ATOM 1077 O ARG A 79 9.076 11.862 1.414 1.00 0.00 O ATOM 1078 CB ARG A 79 9.010 14.545 1.637 1.00 0.00 C ATOM 1079 CG ARG A 79 8.996 15.970 1.079 1.00 0.00 C ATOM 1080 CD ARG A 79 10.364 16.347 0.507 1.00 0.00 C ATOM 1081 NE ARG A 79 10.654 15.530 -0.693 1.00 0.00 N ATOM 1082 CZ ARG A 79 11.896 15.183 -1.092 1.00 0.00 C ATOM 1083 NH1 ARG A 79 12.977 15.579 -0.386 1.00 0.00 N ATOM 1084 NH2 ARG A 79 12.038 14.451 -2.180 1.00 0.00 N ATOM 0 H ARG A 79 5.940 14.805 1.919 1.00 0.00 H new ATOM 0 HA ARG A 79 7.350 14.123 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.171 14.574 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.843 13.990 1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.237 16.053 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.722 16.671 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.380 17.406 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.137 16.191 1.259 1.00 0.00 H new ATOM 0 HE ARG A 79 9.865 15.209 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.858 16.144 0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.912 15.313 -0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.216 14.155 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.970 14.181 -2.495 1.00 0.00 H new ATOM 1094 N ASN A 80 6.836 11.572 1.312 1.00 0.00 N ATOM 1095 CA ASN A 80 6.910 10.122 1.329 1.00 0.00 C ATOM 1096 C ASN A 80 6.177 9.563 0.108 1.00 0.00 C ATOM 1097 O ASN A 80 4.979 9.788 -0.058 1.00 0.00 O ATOM 1098 CB ASN A 80 6.245 9.550 2.583 1.00 0.00 C ATOM 1099 CG ASN A 80 6.767 10.241 3.844 1.00 0.00 C ATOM 1100 OD1 ASN A 80 7.945 10.526 3.985 1.00 0.00 O ATOM 1101 ND2 ASN A 80 5.827 10.495 4.751 1.00 0.00 N ATOM 0 H ASN A 80 5.890 11.950 1.264 1.00 0.00 H new ATOM 0 HA ASN A 80 7.963 9.839 1.318 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.164 9.676 2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.438 8.479 2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.075 10.955 5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.859 10.230 4.570 1.00 0.00 H new ATOM 1107 N VAL A 81 6.926 8.844 -0.715 1.00 0.00 N ATOM 1108 CA VAL A 81 6.362 8.252 -1.916 1.00 0.00 C ATOM 1109 C VAL A 81 6.455 6.728 -1.819 1.00 0.00 C ATOM 1110 O VAL A 81 7.546 6.164 -1.878 1.00 0.00 O ATOM 1111 CB VAL A 81 7.060 8.816 -3.155 1.00 0.00 C ATOM 1112 CG1 VAL A 81 8.581 8.718 -3.020 1.00 0.00 C ATOM 1113 CG2 VAL A 81 6.575 8.114 -4.425 1.00 0.00 C ATOM 0 H VAL A 81 7.919 8.658 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 81 5.307 8.508 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 81 6.799 9.871 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.053 9.126 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.906 9.285 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.869 7.673 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.087 8.534 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.792 7.048 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.500 8.259 -4.533 1.00 0.00 H new ATOM 1123 N LEU A 82 5.295 6.104 -1.672 1.00 0.00 N ATOM 1124 CA LEU A 82 5.232 4.656 -1.567 1.00 0.00 C ATOM 1125 C LEU A 82 4.281 4.113 -2.634 1.00 0.00 C ATOM 1126 O LEU A 82 3.100 4.458 -2.653 1.00 0.00 O ATOM 1127 CB LEU A 82 4.861 4.238 -0.143 1.00 0.00 C ATOM 1128 CG LEU A 82 5.606 4.960 0.983 1.00 0.00 C ATOM 1129 CD1 LEU A 82 5.064 4.544 2.352 1.00 0.00 C ATOM 1130 CD2 LEU A 82 7.115 4.738 0.872 1.00 0.00 C ATOM 0 H LEU A 82 4.392 6.575 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 82 6.211 4.217 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.792 4.398 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.039 3.167 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 82 5.430 6.031 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.610 5.071 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.005 4.795 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.190 3.469 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.620 5.261 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.332 3.672 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.470 5.122 -0.084 1.00 0.00 H new ATOM 1141 N LEU A 83 4.830 3.272 -3.498 1.00 0.00 N ATOM 1142 CA LEU A 83 4.045 2.677 -4.567 1.00 0.00 C ATOM 1143 C LEU A 83 3.960 1.165 -4.350 1.00 0.00 C ATOM 1144 O LEU A 83 4.979 0.475 -4.356 1.00 0.00 O ATOM 1145 CB LEU A 83 4.613 3.072 -5.932 1.00 0.00 C ATOM 1146 CG LEU A 83 4.008 2.356 -7.142 1.00 0.00 C ATOM 1147 CD1 LEU A 83 4.182 3.187 -8.414 1.00 0.00 C ATOM 1148 CD2 LEU A 83 4.589 0.949 -7.292 1.00 0.00 C ATOM 0 H LEU A 83 5.810 2.988 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 83 3.025 3.060 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.476 4.145 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.687 2.886 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 83 2.937 2.246 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.744 2.656 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.683 4.148 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.244 3.350 -8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.143 0.462 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.669 1.014 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.370 0.368 -6.396 1.00 0.00 H new ATOM 1159 N LYS A 84 2.736 0.694 -4.165 1.00 0.00 N ATOM 1160 CA LYS A 84 2.505 -0.724 -3.947 1.00 0.00 C ATOM 1161 C LYS A 84 1.495 -1.236 -4.976 1.00 0.00 C ATOM 1162 O LYS A 84 0.363 -0.758 -5.031 1.00 0.00 O ATOM 1163 CB LYS A 84 2.089 -0.982 -2.497 1.00 0.00 C ATOM 1164 CG LYS A 84 1.168 -2.201 -2.400 1.00 0.00 C ATOM 1165 CD LYS A 84 1.903 -3.478 -2.813 1.00 0.00 C ATOM 1166 CE LYS A 84 1.447 -4.670 -1.970 1.00 0.00 C ATOM 1167 NZ LYS A 84 1.966 -4.557 -0.589 1.00 0.00 N ATOM 0 H LYS A 84 1.893 1.269 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 84 3.426 -1.287 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.976 -1.142 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.580 -0.104 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.800 -2.303 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.297 -2.055 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.719 -3.683 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.978 -3.337 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.358 -4.715 -1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.798 -5.598 -2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.965 -5.495 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.937 -4.185 -0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.361 -3.911 -0.043 1.00 0.00 H new ATOM 1176 N ASN A 85 1.941 -2.200 -5.767 1.00 0.00 N ATOM 1177 CA ASN A 85 1.091 -2.782 -6.792 1.00 0.00 C ATOM 1178 C ASN A 85 0.830 -4.253 -6.458 1.00 0.00 C ATOM 1179 O ASN A 85 1.761 -5.056 -6.412 1.00 0.00 O ATOM 1180 CB ASN A 85 1.763 -2.721 -8.165 1.00 0.00 C ATOM 1181 CG ASN A 85 3.101 -3.462 -8.154 1.00 0.00 C ATOM 1182 OD1 ASN A 85 3.737 -3.634 -7.128 1.00 0.00 O ATOM 1183 ND2 ASN A 85 3.492 -3.890 -9.352 1.00 0.00 N ATOM 0 H ASN A 85 2.881 -2.593 -5.719 1.00 0.00 H new ATOM 0 HA ASN A 85 0.161 -2.215 -6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.106 -3.161 -8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 85 1.922 -1.681 -8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.372 -4.396 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.911 -3.712 -10.172 1.00 0.00 H new ATOM 1189 N GLY A 86 -0.439 -4.559 -6.234 1.00 0.00 N ATOM 1190 CA GLY A 86 -0.832 -5.920 -5.906 1.00 0.00 C ATOM 1191 C GLY A 86 -1.765 -6.492 -6.974 1.00 0.00 C ATOM 1192 O GLY A 86 -2.842 -5.950 -7.219 1.00 0.00 O ATOM 0 H GLY A 86 -1.208 -3.890 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.055 -6.548 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.330 -5.935 -4.937 1.00 0.00 H new ATOM 1196 N GLU A 87 -1.319 -7.582 -7.582 1.00 0.00 N ATOM 1197 CA GLU A 87 -2.101 -8.235 -8.618 1.00 0.00 C ATOM 1198 C GLU A 87 -2.322 -9.707 -8.269 1.00 0.00 C ATOM 1199 O GLU A 87 -1.364 -10.465 -8.121 1.00 0.00 O ATOM 1200 CB GLU A 87 -1.428 -8.091 -9.985 1.00 0.00 C ATOM 1201 CG GLU A 87 0.056 -8.453 -9.906 1.00 0.00 C ATOM 1202 CD GLU A 87 0.728 -8.319 -11.274 1.00 0.00 C ATOM 1203 OE1 GLU A 87 1.730 -7.601 -11.405 1.00 0.00 O ATOM 1204 OE2 GLU A 87 0.173 -8.993 -12.222 1.00 0.00 O ATOM 0 H GLU A 87 -0.426 -8.029 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.073 -7.746 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.925 -8.736 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.538 -7.067 -10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.555 -7.803 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.166 -9.474 -9.542 1.00 0.00 H new ATOM 1210 N ASP A 88 -3.591 -10.068 -8.144 1.00 0.00 N ATOM 1211 CA ASP A 88 -3.951 -11.436 -7.814 1.00 0.00 C ATOM 1212 C ASP A 88 -4.707 -12.059 -8.990 1.00 0.00 C ATOM 1213 O ASP A 88 -5.795 -11.606 -9.341 1.00 0.00 O ATOM 1214 CB ASP A 88 -4.862 -11.486 -6.587 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.322 -11.111 -6.850 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -6.658 -9.929 -7.012 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -7.143 -12.105 -6.885 1.00 0.00 O ATOM 0 H ASP A 88 -4.383 -9.436 -8.265 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.032 -11.984 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.831 -12.493 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.461 -10.814 -5.828 1.00 0.00 H new ATOM 1222 N ARG A 89 -4.100 -13.087 -9.565 1.00 0.00 N ATOM 1223 CA ARG A 89 -4.702 -13.775 -10.694 1.00 0.00 C ATOM 1224 C ARG A 89 -4.217 -15.225 -10.751 1.00 0.00 C ATOM 1225 O ARG A 89 -3.135 -15.541 -10.259 1.00 0.00 O ATOM 1226 CB ARG A 89 -4.360 -13.078 -12.011 1.00 0.00 C ATOM 1227 CG ARG A 89 -3.085 -13.658 -12.624 1.00 0.00 C ATOM 1228 CD ARG A 89 -2.445 -12.669 -13.600 1.00 0.00 C ATOM 1229 NE ARG A 89 -1.360 -11.921 -12.924 1.00 0.00 N ATOM 1230 CZ ARG A 89 -0.169 -12.458 -12.584 1.00 0.00 C ATOM 1231 NH1 ARG A 89 0.101 -13.753 -12.855 1.00 0.00 N ATOM 1232 NH2 ARG A 89 0.727 -11.698 -11.983 1.00 0.00 N ATOM 0 H ARG A 89 -3.198 -13.460 -9.270 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.783 -13.754 -10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.188 -13.190 -12.711 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.231 -12.010 -11.838 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.376 -13.903 -11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.318 -14.588 -13.143 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.047 -13.203 -14.463 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.198 -11.975 -13.974 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.523 -10.939 -12.701 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.597 -14.333 -13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.003 -14.151 -12.595 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.515 -10.721 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.632 -12.088 -11.719 1.00 0.00 H new ATOM 1242 N LEU A 90 -5.042 -16.068 -11.356 1.00 0.00 N ATOM 1243 CA LEU A 90 -4.710 -17.477 -11.484 1.00 0.00 C ATOM 1244 C LEU A 90 -5.377 -18.041 -12.740 1.00 0.00 C ATOM 1245 O LEU A 90 -6.368 -17.493 -13.221 1.00 0.00 O ATOM 1246 CB LEU A 90 -5.073 -18.231 -10.204 1.00 0.00 C ATOM 1247 CG LEU A 90 -6.269 -17.686 -9.420 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -7.389 -18.725 -9.336 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -5.839 -17.193 -8.037 1.00 0.00 C ATOM 0 H LEU A 90 -5.939 -15.802 -11.763 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.635 -17.606 -11.608 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.277 -19.270 -10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.203 -18.231 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.668 -16.826 -9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.227 -18.312 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.720 -18.985 -10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.019 -19.618 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.708 -16.811 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.401 -18.019 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.102 -16.398 -8.147 1.00 0.00 H new ATOM 1260 N ARG A 91 -4.807 -19.129 -13.237 1.00 0.00 N ATOM 1261 CA ARG A 91 -5.333 -19.774 -14.428 1.00 0.00 C ATOM 1262 C ARG A 91 -6.748 -20.294 -14.168 1.00 0.00 C ATOM 1263 O ARG A 91 -7.585 -20.303 -15.069 1.00 0.00 O ATOM 1264 CB ARG A 91 -4.441 -20.937 -14.865 1.00 0.00 C ATOM 1265 CG ARG A 91 -3.996 -21.768 -13.660 1.00 0.00 C ATOM 1266 CD ARG A 91 -2.491 -21.626 -13.421 1.00 0.00 C ATOM 1267 NE ARG A 91 -1.743 -22.410 -14.430 1.00 0.00 N ATOM 1268 CZ ARG A 91 -0.497 -22.896 -14.239 1.00 0.00 C ATOM 1269 NH1 ARG A 91 0.151 -22.681 -13.074 1.00 0.00 N ATOM 1270 NH2 ARG A 91 0.076 -23.583 -15.208 1.00 0.00 N ATOM 0 H ARG A 91 -3.985 -19.581 -12.836 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.356 -19.031 -15.225 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.981 -21.570 -15.569 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.566 -20.552 -15.389 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.541 -21.448 -12.772 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.244 -22.816 -13.825 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.203 -20.576 -13.477 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.239 -21.973 -12.419 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.197 -22.595 -15.325 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.300 -22.148 -12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.092 -23.051 -12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.421 -23.740 -16.085 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.016 -23.957 -15.081 1.00 0.00 H new ATOM 1280 N PHE A 92 -6.972 -20.713 -12.932 1.00 0.00 N ATOM 1281 CA PHE A 92 -8.272 -21.233 -12.541 1.00 0.00 C ATOM 1282 C PHE A 92 -9.278 -20.099 -12.335 1.00 0.00 C ATOM 1283 O PHE A 92 -10.427 -20.342 -11.968 1.00 0.00 O ATOM 1284 CB PHE A 92 -8.078 -21.974 -11.218 1.00 0.00 C ATOM 1285 CG PHE A 92 -6.749 -22.725 -11.113 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -6.411 -23.642 -12.058 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -5.907 -22.475 -10.076 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -5.177 -24.340 -11.961 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -4.673 -23.171 -9.978 1.00 0.00 C ATOM 1290 CZ PHE A 92 -4.334 -24.088 -10.924 1.00 0.00 C ATOM 0 H PHE A 92 -6.275 -20.703 -12.187 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.660 -21.888 -13.321 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.144 -21.257 -10.399 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.895 -22.683 -11.088 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.080 -23.840 -12.882 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.177 -21.746 -9.326 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.909 -25.070 -12.710 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.004 -22.973 -9.153 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.395 -24.616 -10.851 1.00 0.00 H new ATOM 1299 N TYR A 93 -8.809 -18.884 -12.580 1.00 0.00 N ATOM 1300 CA TYR A 93 -9.652 -17.711 -12.424 1.00 0.00 C ATOM 1301 C TYR A 93 -10.214 -17.257 -13.773 1.00 0.00 C ATOM 1302 O TYR A 93 -9.583 -17.457 -14.810 1.00 0.00 O ATOM 1303 CB TYR A 93 -8.747 -16.611 -11.865 1.00 0.00 C ATOM 1304 CG TYR A 93 -9.328 -15.884 -10.652 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -10.048 -16.586 -9.706 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -9.132 -14.527 -10.501 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -10.595 -15.902 -8.562 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -9.679 -13.842 -9.357 1.00 0.00 C ATOM 1309 CZ TYR A 93 -10.383 -14.564 -8.445 1.00 0.00 C ATOM 1310 OH TYR A 93 -10.899 -13.919 -7.365 1.00 0.00 O ATOM 0 H TYR A 93 -7.856 -18.687 -12.885 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.496 -17.929 -11.770 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.788 -17.049 -11.588 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.549 -15.883 -12.652 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.201 -17.649 -9.824 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.568 -13.978 -11.240 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.160 -16.439 -7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.533 -12.780 -9.227 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.669 -12.968 -7.411 1.00 0.00 H new ATOM 1319 N VAL A 94 -11.392 -16.654 -13.716 1.00 0.00 N ATOM 1320 CA VAL A 94 -12.045 -16.171 -14.920 1.00 0.00 C ATOM 1321 C VAL A 94 -12.026 -14.641 -14.926 1.00 0.00 C ATOM 1322 O VAL A 94 -12.345 -14.017 -15.937 1.00 0.00 O ATOM 1323 CB VAL A 94 -13.458 -16.751 -15.019 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -14.314 -15.944 -15.996 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -13.417 -18.229 -15.414 1.00 0.00 C ATOM 0 H VAL A 94 -11.911 -16.489 -12.854 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.507 -16.507 -15.807 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.920 -16.681 -14.034 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.313 -16.377 -16.048 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -14.383 -14.912 -15.652 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.857 -15.967 -16.985 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -14.434 -18.617 -15.477 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.928 -18.333 -16.382 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.860 -18.791 -14.664 1.00 0.00 H new ATOM 1335 N LYS A 95 -11.648 -14.080 -13.786 1.00 0.00 N ATOM 1336 CA LYS A 95 -11.583 -12.636 -13.648 1.00 0.00 C ATOM 1337 C LYS A 95 -10.250 -12.135 -14.207 1.00 0.00 C ATOM 1338 O LYS A 95 -10.225 -11.255 -15.066 1.00 0.00 O ATOM 1339 CB LYS A 95 -11.835 -12.226 -12.196 1.00 0.00 C ATOM 1340 CG LYS A 95 -11.184 -10.876 -11.886 1.00 0.00 C ATOM 1341 CD LYS A 95 -11.731 -9.780 -12.804 1.00 0.00 C ATOM 1342 CE LYS A 95 -13.193 -9.470 -12.476 1.00 0.00 C ATOM 1343 NZ LYS A 95 -13.306 -8.889 -11.119 1.00 0.00 N ATOM 0 H LYS A 95 -11.384 -14.601 -12.950 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.372 -12.160 -14.231 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -12.908 -12.167 -12.012 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -11.438 -12.988 -11.525 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.369 -10.610 -10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.104 -10.952 -12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.131 -8.877 -12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.647 -10.096 -13.844 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.598 -8.774 -13.211 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.788 -10.381 -12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.209 -8.381 -11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.268 -9.650 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.520 -8.227 -10.958 1.00 0.00 H new ATOM 1352 N PHE A 96 -9.174 -12.715 -13.695 1.00 0.00 N ATOM 1353 CA PHE A 96 -7.841 -12.337 -14.132 1.00 0.00 C ATOM 1354 C PHE A 96 -7.774 -10.844 -14.463 1.00 0.00 C ATOM 1355 O PHE A 96 -7.455 -10.469 -15.589 1.00 0.00 O ATOM 1356 CB PHE A 96 -7.541 -13.141 -15.399 1.00 0.00 C ATOM 1357 CG PHE A 96 -8.358 -12.709 -16.618 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -9.655 -13.100 -16.741 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -7.786 -11.935 -17.579 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -10.411 -12.699 -17.874 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -8.544 -11.534 -18.711 1.00 0.00 C ATOM 1362 CZ PHE A 96 -9.841 -11.924 -18.835 1.00 0.00 C ATOM 0 H PHE A 96 -9.198 -13.444 -12.982 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.119 -12.539 -13.340 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.481 -13.048 -15.634 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.732 -14.196 -15.201 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -10.109 -13.715 -15.978 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -6.756 -11.626 -17.481 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -11.441 -13.010 -17.973 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.090 -10.919 -19.474 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.418 -11.619 -19.696 1.00 0.00 H new ATOM 1371 N GLY A 97 -8.081 -10.035 -13.460 1.00 0.00 N ATOM 1372 CA GLY A 97 -8.060 -8.593 -13.630 1.00 0.00 C ATOM 1373 C GLY A 97 -6.677 -8.022 -13.310 1.00 0.00 C ATOM 1374 O GLY A 97 -6.164 -8.210 -12.208 1.00 0.00 O ATOM 0 H GLY A 97 -8.346 -10.351 -12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.333 -8.340 -14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.805 -8.136 -12.979 1.00 0.00 H new ATOM 1378 N PRO A 98 -6.096 -7.321 -14.320 1.00 0.00 N ATOM 1379 CA PRO A 98 -4.782 -6.723 -14.157 1.00 0.00 C ATOM 1380 C PRO A 98 -4.855 -5.470 -13.282 1.00 0.00 C ATOM 1381 O PRO A 98 -5.735 -4.631 -13.463 1.00 0.00 O ATOM 1382 CB PRO A 98 -4.305 -6.432 -15.571 1.00 0.00 C ATOM 1383 CG PRO A 98 -5.549 -6.448 -16.442 1.00 0.00 C ATOM 1384 CD PRO A 98 -6.674 -7.078 -15.638 1.00 0.00 C ATOM 0 HA PRO A 98 -4.082 -7.380 -13.641 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -3.804 -5.465 -15.623 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.586 -7.181 -15.903 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -5.816 -5.435 -16.744 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -5.368 -7.015 -17.355 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -7.536 -6.414 -15.576 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -7.018 -8.005 -16.097 1.00 0.00 H new ATOM 1389 N GLY A 99 -3.916 -5.382 -12.349 1.00 0.00 N ATOM 1390 CA GLY A 99 -3.862 -4.247 -11.445 1.00 0.00 C ATOM 1391 C GLY A 99 -2.591 -3.427 -11.670 1.00 0.00 C ATOM 1392 O GLY A 99 -1.600 -3.604 -10.963 1.00 0.00 O ATOM 0 H GLY A 99 -3.187 -6.080 -12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.738 -3.616 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.895 -4.597 -10.413 1.00 0.00 H new ATOM 1396 N ALA A 100 -2.659 -2.547 -12.658 1.00 0.00 N ATOM 1397 CA ALA A 100 -1.525 -1.699 -12.985 1.00 0.00 C ATOM 1398 C ALA A 100 -1.649 -0.375 -12.227 1.00 0.00 C ATOM 1399 O ALA A 100 -2.755 0.103 -11.981 1.00 0.00 O ATOM 1400 CB ALA A 100 -1.457 -1.499 -14.501 1.00 0.00 C ATOM 0 H ALA A 100 -3.482 -2.403 -13.243 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.592 -2.170 -12.676 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.606 -0.863 -14.746 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.340 -2.466 -14.991 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -2.376 -1.026 -14.847 1.00 0.00 H new ATOM 1406 N VAL A 101 -0.497 0.181 -11.880 1.00 0.00 N ATOM 1407 CA VAL A 101 -0.463 1.440 -11.155 1.00 0.00 C ATOM 1408 C VAL A 101 -1.400 2.440 -11.835 1.00 0.00 C ATOM 1409 O VAL A 101 -2.032 3.257 -11.167 1.00 0.00 O ATOM 1410 CB VAL A 101 0.978 1.945 -11.053 1.00 0.00 C ATOM 1411 CG1 VAL A 101 1.810 1.045 -10.137 1.00 0.00 C ATOM 1412 CG2 VAL A 101 1.619 2.060 -12.438 1.00 0.00 C ATOM 0 H VAL A 101 0.419 -0.217 -12.087 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.819 1.303 -10.134 1.00 0.00 H new ATOM 0 HB VAL A 101 0.953 2.942 -10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.830 1.426 -10.082 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.371 1.036 -9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.822 0.031 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.642 2.421 -12.336 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.625 1.082 -12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.046 2.760 -13.047 1.00 0.00 H new ATOM 1422 N ILE A 102 -1.461 2.343 -13.155 1.00 0.00 N ATOM 1423 CA ILE A 102 -2.310 3.229 -13.932 1.00 0.00 C ATOM 1424 C ILE A 102 -3.772 2.993 -13.549 1.00 0.00 C ATOM 1425 O ILE A 102 -4.543 3.941 -13.416 1.00 0.00 O ATOM 1426 CB ILE A 102 -2.032 3.063 -15.427 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -2.037 4.417 -16.140 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -3.015 2.077 -16.062 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -1.001 4.448 -17.266 1.00 0.00 C ATOM 0 H ILE A 102 -0.936 1.664 -13.706 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.084 4.270 -13.703 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.033 2.642 -15.543 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.029 4.614 -16.548 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.824 5.210 -15.423 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.795 1.978 -17.125 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.918 1.105 -15.579 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.033 2.445 -15.935 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.025 5.421 -17.756 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.008 4.275 -16.851 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.231 3.669 -17.993 1.00 0.00 H new ATOM 1440 N LYS A 103 -4.109 1.722 -13.382 1.00 0.00 N ATOM 1441 CA LYS A 103 -5.466 1.349 -13.017 1.00 0.00 C ATOM 1442 C LYS A 103 -5.793 1.924 -11.636 1.00 0.00 C ATOM 1443 O LYS A 103 -6.930 2.315 -11.377 1.00 0.00 O ATOM 1444 CB LYS A 103 -5.648 -0.167 -13.112 1.00 0.00 C ATOM 1445 CG LYS A 103 -7.128 -0.533 -13.231 1.00 0.00 C ATOM 1446 CD LYS A 103 -7.759 0.124 -14.460 1.00 0.00 C ATOM 1447 CE LYS A 103 -6.818 0.048 -15.665 1.00 0.00 C ATOM 1448 NZ LYS A 103 -6.495 -1.361 -15.983 1.00 0.00 N ATOM 0 H LYS A 103 -3.466 0.938 -13.493 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.182 1.777 -13.719 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.104 -0.549 -13.976 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.221 -0.644 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.234 -1.616 -13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.658 -0.216 -12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.701 -0.370 -14.698 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.992 1.166 -14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.284 0.524 -16.528 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.901 0.598 -15.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.495 -1.546 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.097 -1.992 -15.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.665 -1.537 -16.994 1.00 0.00 H new ATOM 1457 N GLU A 104 -4.776 1.955 -10.787 1.00 0.00 N ATOM 1458 CA GLU A 104 -4.942 2.474 -9.440 1.00 0.00 C ATOM 1459 C GLU A 104 -5.723 3.789 -9.470 1.00 0.00 C ATOM 1460 O GLU A 104 -6.707 3.947 -8.751 1.00 0.00 O ATOM 1461 CB GLU A 104 -3.587 2.656 -8.752 1.00 0.00 C ATOM 1462 CG GLU A 104 -3.760 2.854 -7.245 1.00 0.00 C ATOM 1463 CD GLU A 104 -3.828 1.508 -6.520 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -3.162 1.326 -5.490 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -4.607 0.635 -7.061 1.00 0.00 O ATOM 0 H GLU A 104 -3.835 1.629 -11.006 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.513 1.749 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.960 1.784 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.071 3.516 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.929 3.440 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.670 3.422 -7.051 1.00 0.00 H new ATOM 1471 N PHE A 105 -5.254 4.699 -10.312 1.00 0.00 N ATOM 1472 CA PHE A 105 -5.897 5.996 -10.445 1.00 0.00 C ATOM 1473 C PHE A 105 -7.413 5.845 -10.584 1.00 0.00 C ATOM 1474 O PHE A 105 -8.170 6.678 -10.090 1.00 0.00 O ATOM 1475 CB PHE A 105 -5.342 6.640 -11.718 1.00 0.00 C ATOM 1476 CG PHE A 105 -6.418 7.054 -12.725 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -7.227 8.115 -12.458 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -6.565 6.363 -13.886 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -8.224 8.499 -13.392 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -7.563 6.747 -14.820 1.00 0.00 C ATOM 1481 CZ PHE A 105 -8.372 7.808 -14.553 1.00 0.00 C ATOM 0 H PHE A 105 -4.437 4.564 -10.908 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.699 6.602 -9.561 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.758 7.519 -11.444 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.659 5.940 -12.199 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.110 8.665 -11.536 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.922 5.521 -14.098 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.866 9.341 -13.180 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.680 6.197 -15.742 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.131 8.101 -15.263 1.00 0.00 H new ATOM 1490 N LYS A 106 -7.810 4.775 -11.257 1.00 0.00 N ATOM 1491 CA LYS A 106 -9.223 4.504 -11.466 1.00 0.00 C ATOM 1492 C LYS A 106 -9.934 4.458 -10.111 1.00 0.00 C ATOM 1493 O LYS A 106 -11.161 4.525 -10.048 1.00 0.00 O ATOM 1494 CB LYS A 106 -9.408 3.236 -12.301 1.00 0.00 C ATOM 1495 CG LYS A 106 -9.828 2.056 -11.422 1.00 0.00 C ATOM 1496 CD LYS A 106 -10.284 0.872 -12.275 1.00 0.00 C ATOM 1497 CE LYS A 106 -10.935 -0.209 -11.409 1.00 0.00 C ATOM 1498 NZ LYS A 106 -9.905 -0.971 -10.669 1.00 0.00 N ATOM 0 H LYS A 106 -7.178 4.085 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.684 5.306 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.162 3.409 -13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.478 2.997 -12.816 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.993 1.753 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.636 2.362 -10.757 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.992 1.214 -13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.430 0.452 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.631 0.250 -10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.515 -0.885 -12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.364 -1.700 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.257 -1.425 -11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.369 -0.325 -10.055 1.00 0.00 H new ATOM 1507 N ILE A 107 -9.134 4.344 -9.062 1.00 0.00 N ATOM 1508 CA ILE A 107 -9.672 4.288 -7.714 1.00 0.00 C ATOM 1509 C ILE A 107 -11.016 5.016 -7.674 1.00 0.00 C ATOM 1510 O ILE A 107 -11.997 4.489 -7.151 1.00 0.00 O ATOM 1511 CB ILE A 107 -8.652 4.825 -6.707 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -7.992 6.105 -7.226 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -7.620 3.754 -6.346 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -6.947 6.622 -6.236 1.00 0.00 C ATOM 0 H ILE A 107 -8.117 4.289 -9.118 1.00 0.00 H new ATOM 0 HA ILE A 107 -9.860 3.255 -7.423 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.181 5.083 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -7.521 5.911 -8.190 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.752 6.869 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -6.908 4.162 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.126 2.895 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.090 3.441 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.493 7.532 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.426 6.838 -5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -6.176 5.865 -6.092 1.00 0.00 H new ATOM 1525 N THR A 108 -11.020 6.217 -8.235 1.00 0.00 N ATOM 1526 CA THR A 108 -12.228 7.023 -8.271 1.00 0.00 C ATOM 1527 C THR A 108 -12.216 7.947 -9.490 1.00 0.00 C ATOM 1528 O THR A 108 -13.181 7.989 -10.252 1.00 0.00 O ATOM 1529 CB THR A 108 -12.337 7.772 -6.942 1.00 0.00 C ATOM 1530 OG1 THR A 108 -11.048 8.352 -6.764 1.00 0.00 O ATOM 1531 CG2 THR A 108 -12.488 6.826 -5.748 1.00 0.00 C ATOM 0 H THR A 108 -10.205 6.651 -8.668 1.00 0.00 H new ATOM 0 HA THR A 108 -13.116 6.400 -8.383 1.00 0.00 H new ATOM 0 HB THR A 108 -13.188 8.452 -6.977 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.030 8.859 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.561 7.408 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.390 6.227 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.620 6.169 -5.693 1.00 0.00 H new ATOM 1539 N ASP A 109 -11.113 8.666 -9.637 1.00 0.00 N ATOM 1540 CA ASP A 109 -10.962 9.587 -10.750 1.00 0.00 C ATOM 1541 C ASP A 109 -11.159 8.829 -12.064 1.00 0.00 C ATOM 1542 O ASP A 109 -11.009 7.609 -12.109 1.00 0.00 O ATOM 1543 CB ASP A 109 -9.564 10.208 -10.767 1.00 0.00 C ATOM 1544 CG ASP A 109 -9.453 11.531 -11.527 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -10.414 11.982 -12.168 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -8.305 12.113 -11.444 1.00 0.00 O ATOM 0 H ASP A 109 -10.315 8.629 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.705 10.376 -10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.242 10.369 -9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.871 9.493 -11.210 1.00 0.00 H new