USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -163:sc=-0.00102 (180deg=-0.0805) USER MOD Set 2.1: A 10 CYS SG : rot 180:sc= 0.657 USER MOD Set 2.2: A 81 THR OG1 : rot -74:sc= 0.764 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.21) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 14 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.29) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc=-0.00263 X(o=-0.0026,f=-0.45) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.051 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 171:sc= -0.602 (180deg=-0.965) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.977! F(o=-2.1,f=-0.98!) USER MOD Single : A 48 THR OG1 : rot 65:sc= 0.578 USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= -0.0521 (180deg=-0.33) USER MOD Single : A 56 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.8!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 62 HIS :FLIP no HD1:sc= 0.00573 F(o=-0.84,f=0.0057) USER MOD Single : A 63 SER OG : rot 180:sc= -0.195 USER MOD Single : A 64 ASN : amide:sc= -0.341 X(o=-0.34,f=0.01) USER MOD Single : A 65 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-5.1!) USER MOD Single : A 74 SER OG : rot -36:sc= 0.716 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.63 K(o=-1.6,f=-4.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.756 19.609 -9.726 1.00 0.00 N ATOM 2 CA GLY A 1 12.078 18.888 -10.838 1.00 0.00 C ATOM 3 C GLY A 1 12.831 17.644 -11.267 1.00 0.00 C ATOM 4 O GLY A 1 12.998 17.394 -12.461 1.00 0.00 O ATOM 0 H1 GLY A 1 12.202 20.451 -9.470 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.833 18.981 -8.901 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.707 19.899 -10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.071 18.610 -10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.974 19.558 -11.691 1.00 0.00 H new ATOM 10 N SER A 2 13.287 16.865 -10.292 1.00 0.00 N ATOM 11 CA SER A 2 14.028 15.641 -10.575 1.00 0.00 C ATOM 12 C SER A 2 13.335 14.431 -9.955 1.00 0.00 C ATOM 13 O SER A 2 12.385 14.573 -9.185 1.00 0.00 O ATOM 14 CB SER A 2 15.458 15.750 -10.044 1.00 0.00 C ATOM 15 OG SER A 2 16.067 16.958 -10.465 1.00 0.00 O ATOM 0 H SER A 2 13.157 17.059 -9.299 1.00 0.00 H new ATOM 0 HA SER A 2 14.059 15.507 -11.656 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.450 15.704 -8.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.045 14.901 -10.395 1.00 0.00 H new ATOM 0 HG SER A 2 16.980 17.005 -10.111 1.00 0.00 H new ATOM 21 N HIS A 3 13.818 13.241 -10.295 1.00 0.00 N ATOM 22 CA HIS A 3 13.245 12.005 -9.772 1.00 0.00 C ATOM 23 C HIS A 3 13.768 11.717 -8.367 1.00 0.00 C ATOM 24 O HIS A 3 13.040 11.203 -7.518 1.00 0.00 O ATOM 25 CB HIS A 3 13.571 10.834 -10.703 1.00 0.00 C ATOM 26 CG HIS A 3 12.393 10.345 -11.489 1.00 0.00 C ATOM 27 ND1 HIS A 3 12.498 9.419 -12.505 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.077 10.658 -11.401 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.299 9.183 -13.008 1.00 0.00 C ATOM 30 NE2 HIS A 3 10.420 9.922 -12.356 1.00 0.00 N ATOM 0 H HIS A 3 14.605 13.106 -10.930 1.00 0.00 H new ATOM 0 HA HIS A 3 12.163 12.127 -9.719 1.00 0.00 H new ATOM 0 HB2 HIS A 3 14.357 11.138 -11.394 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.969 10.010 -10.111 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.629 11.356 -10.709 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.076 8.501 -13.815 1.00 0.00 H new ATOM 0 HE2 HIS A 3 9.416 9.943 -12.533 1.00 0.00 H new ATOM 39 N MET A 4 15.031 12.051 -8.131 1.00 0.00 N ATOM 40 CA MET A 4 15.651 11.829 -6.831 1.00 0.00 C ATOM 41 C MET A 4 14.955 12.650 -5.749 1.00 0.00 C ATOM 42 O MET A 4 15.408 13.738 -5.394 1.00 0.00 O ATOM 43 CB MET A 4 17.137 12.187 -6.881 1.00 0.00 C ATOM 44 CG MET A 4 17.934 11.647 -5.705 1.00 0.00 C ATOM 45 SD MET A 4 17.849 9.850 -5.575 1.00 0.00 S ATOM 46 CE MET A 4 17.930 9.636 -3.798 1.00 0.00 C ATOM 0 H MET A 4 15.646 12.477 -8.824 1.00 0.00 H new ATOM 0 HA MET A 4 15.548 10.772 -6.584 1.00 0.00 H new ATOM 0 HB2 MET A 4 17.564 11.801 -7.806 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.240 13.272 -6.911 1.00 0.00 H new ATOM 0 HG2 MET A 4 18.976 11.951 -5.807 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.561 12.092 -4.783 1.00 0.00 H new ATOM 0 HE1 MET A 4 17.888 8.574 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.863 10.057 -3.423 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.088 10.147 -3.331 1.00 0.00 H new ATOM 56 N GLY A 5 13.852 12.121 -5.231 1.00 0.00 N ATOM 57 CA GLY A 5 13.112 12.819 -4.196 1.00 0.00 C ATOM 58 C GLY A 5 11.764 12.183 -3.916 1.00 0.00 C ATOM 59 O GLY A 5 11.428 11.908 -2.764 1.00 0.00 O ATOM 0 H GLY A 5 13.457 11.222 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.701 12.832 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.965 13.857 -4.496 1.00 0.00 H new ATOM 63 N LEU A 6 10.990 11.951 -4.970 1.00 0.00 N ATOM 64 CA LEU A 6 9.671 11.343 -4.832 1.00 0.00 C ATOM 65 C LEU A 6 9.364 10.433 -6.015 1.00 0.00 C ATOM 66 O LEU A 6 9.216 10.896 -7.146 1.00 0.00 O ATOM 67 CB LEU A 6 8.597 12.428 -4.715 1.00 0.00 C ATOM 68 CG LEU A 6 8.618 13.221 -3.405 1.00 0.00 C ATOM 69 CD1 LEU A 6 8.983 14.675 -3.662 1.00 0.00 C ATOM 70 CD2 LEU A 6 7.272 13.126 -2.700 1.00 0.00 C ATOM 0 H LEU A 6 11.253 12.175 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 6 9.670 10.740 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.713 13.124 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.618 11.962 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 6 9.379 12.787 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.992 15.220 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.971 14.727 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.248 15.122 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.307 13.696 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.493 13.532 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.051 12.082 -2.477 1.00 0.00 H new ATOM 82 N VAL A 7 9.265 9.134 -5.748 1.00 0.00 N ATOM 83 CA VAL A 7 8.972 8.158 -6.791 1.00 0.00 C ATOM 84 C VAL A 7 7.638 7.466 -6.537 1.00 0.00 C ATOM 85 O VAL A 7 7.422 6.881 -5.477 1.00 0.00 O ATOM 86 CB VAL A 7 10.079 7.090 -6.888 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.861 6.203 -8.103 1.00 0.00 C ATOM 88 CG2 VAL A 7 11.451 7.747 -6.936 1.00 0.00 C ATOM 0 H VAL A 7 9.384 8.733 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 7 8.922 8.707 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 7 10.033 6.463 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.653 5.455 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.895 5.704 -8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.879 6.813 -9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.220 6.978 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.512 8.400 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.605 8.335 -6.031 1.00 0.00 H new ATOM 98 N GLN A 8 6.744 7.540 -7.517 1.00 0.00 N ATOM 99 CA GLN A 8 5.428 6.921 -7.401 1.00 0.00 C ATOM 100 C GLN A 8 5.383 5.593 -8.151 1.00 0.00 C ATOM 101 O GLN A 8 5.827 5.500 -9.296 1.00 0.00 O ATOM 102 CB GLN A 8 4.348 7.861 -7.939 1.00 0.00 C ATOM 103 CG GLN A 8 2.938 7.309 -7.802 1.00 0.00 C ATOM 104 CD GLN A 8 2.146 7.405 -9.092 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.975 6.416 -9.803 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.655 8.601 -9.398 1.00 0.00 N ATOM 0 H GLN A 8 6.906 8.023 -8.401 1.00 0.00 H new ATOM 0 HA GLN A 8 5.238 6.728 -6.345 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.410 8.812 -7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.548 8.067 -8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.989 6.266 -7.488 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.413 7.853 -7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.821 9.394 -8.779 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.112 8.726 -10.252 1.00 0.00 H new ATOM 115 N ARG A 9 4.843 4.569 -7.500 1.00 0.00 N ATOM 116 CA ARG A 9 4.741 3.247 -8.106 1.00 0.00 C ATOM 117 C ARG A 9 3.459 2.545 -7.667 1.00 0.00 C ATOM 118 O ARG A 9 3.144 2.489 -6.479 1.00 0.00 O ATOM 119 CB ARG A 9 5.956 2.397 -7.732 1.00 0.00 C ATOM 120 CG ARG A 9 6.474 1.537 -8.874 1.00 0.00 C ATOM 121 CD ARG A 9 7.677 0.713 -8.449 1.00 0.00 C ATOM 122 NE ARG A 9 7.295 -0.429 -7.622 1.00 0.00 N ATOM 123 CZ ARG A 9 6.645 -1.495 -8.084 1.00 0.00 C ATOM 124 NH1 ARG A 9 6.303 -1.569 -9.365 1.00 0.00 N ATOM 125 NH2 ARG A 9 6.336 -2.490 -7.265 1.00 0.00 N ATOM 0 H ARG A 9 4.469 4.629 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 9 4.713 3.371 -9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.757 3.053 -7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.693 1.752 -6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.681 0.874 -9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.747 2.174 -9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.205 0.359 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.372 1.345 -7.896 1.00 0.00 H new ATOM 0 HE ARG A 9 7.541 -0.408 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.538 -0.807 -10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.805 -2.388 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.596 -2.439 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.838 -3.306 -7.620 1.00 0.00 H new ATOM 139 N CYS A 10 2.722 2.011 -8.636 1.00 0.00 N ATOM 140 CA CYS A 10 1.473 1.314 -8.351 1.00 0.00 C ATOM 141 C CYS A 10 1.741 -0.115 -7.886 1.00 0.00 C ATOM 142 O CYS A 10 2.673 -0.766 -8.356 1.00 0.00 O ATOM 143 CB CYS A 10 0.577 1.297 -9.591 1.00 0.00 C ATOM 144 SG CYS A 10 -0.077 2.919 -10.049 1.00 0.00 S ATOM 0 H CYS A 10 2.968 2.048 -9.625 1.00 0.00 H new ATOM 0 HA CYS A 10 0.963 1.850 -7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.144 0.895 -10.431 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.257 0.617 -9.415 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.820 2.804 -11.109 1.00 0.00 H new ATOM 150 N VAL A 11 0.916 -0.593 -6.957 1.00 0.00 N ATOM 151 CA VAL A 11 1.065 -1.944 -6.427 1.00 0.00 C ATOM 152 C VAL A 11 -0.288 -2.635 -6.299 1.00 0.00 C ATOM 153 O VAL A 11 -1.266 -2.030 -5.862 1.00 0.00 O ATOM 154 CB VAL A 11 1.755 -1.933 -5.050 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.231 -1.596 -5.195 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.066 -0.952 -4.115 1.00 0.00 C ATOM 0 H VAL A 11 0.140 -0.066 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 11 1.687 -2.495 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 11 1.675 -2.930 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.702 -1.593 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.714 -2.342 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.336 -0.612 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.568 -0.958 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.112 0.050 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.024 -1.244 -3.985 1.00 0.00 H new ATOM 166 N ILE A 12 -0.337 -3.905 -6.686 1.00 0.00 N ATOM 167 CA ILE A 12 -1.572 -4.679 -6.614 1.00 0.00 C ATOM 168 C ILE A 12 -1.432 -5.848 -5.645 1.00 0.00 C ATOM 169 O ILE A 12 -0.617 -6.746 -5.853 1.00 0.00 O ATOM 170 CB ILE A 12 -1.978 -5.220 -7.997 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.920 -4.105 -9.043 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.372 -5.828 -7.940 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.633 -4.092 -9.840 1.00 0.00 C ATOM 0 H ILE A 12 0.463 -4.420 -7.053 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.348 -4.003 -6.255 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.274 -6.000 -8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.761 -4.216 -9.728 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.039 -3.143 -8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.645 -6.206 -8.925 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.382 -6.647 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.089 -5.067 -7.632 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.661 -3.276 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.211 -3.951 -9.165 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.522 -5.040 -10.367 1.00 0.00 H new ATOM 185 N ILE A 13 -2.233 -5.830 -4.584 1.00 0.00 N ATOM 186 CA ILE A 13 -2.200 -6.890 -3.583 1.00 0.00 C ATOM 187 C ILE A 13 -3.360 -7.861 -3.773 1.00 0.00 C ATOM 188 O ILE A 13 -4.466 -7.460 -4.132 1.00 0.00 O ATOM 189 CB ILE A 13 -2.256 -6.316 -2.154 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.252 -5.171 -1.998 1.00 0.00 C ATOM 191 CG2 ILE A 13 -1.981 -7.411 -1.133 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.867 -3.800 -2.178 1.00 0.00 C ATOM 0 H ILE A 13 -2.913 -5.093 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.258 -7.422 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.257 -5.922 -1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.797 -5.229 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.451 -5.299 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.024 -6.991 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.731 -8.196 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.991 -7.832 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.098 -3.037 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.297 -3.722 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.649 -3.651 -1.433 1.00 0.00 H new ATOM 204 N GLN A 14 -3.100 -9.142 -3.529 1.00 0.00 N ATOM 205 CA GLN A 14 -4.123 -10.171 -3.672 1.00 0.00 C ATOM 206 C GLN A 14 -4.483 -10.773 -2.318 1.00 0.00 C ATOM 207 O GLN A 14 -3.606 -11.193 -1.561 1.00 0.00 O ATOM 208 CB GLN A 14 -3.640 -11.270 -4.621 1.00 0.00 C ATOM 209 CG GLN A 14 -3.737 -10.892 -6.090 1.00 0.00 C ATOM 210 CD GLN A 14 -2.911 -11.799 -6.979 1.00 0.00 C ATOM 211 OE1 GLN A 14 -3.429 -12.744 -7.576 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.617 -11.517 -7.074 1.00 0.00 N ATOM 0 H GLN A 14 -2.189 -9.492 -3.231 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.016 -9.706 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.604 -11.513 -4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.227 -12.172 -4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.780 -10.933 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.405 -9.862 -6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.229 -10.725 -6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.011 -12.093 -7.659 1.00 0.00 H new ATOM 221 N LYS A 15 -5.777 -10.812 -2.018 1.00 0.00 N ATOM 222 CA LYS A 15 -6.253 -11.363 -0.755 1.00 0.00 C ATOM 223 C LYS A 15 -5.964 -12.858 -0.670 1.00 0.00 C ATOM 224 O LYS A 15 -6.038 -13.573 -1.670 1.00 0.00 O ATOM 225 CB LYS A 15 -7.754 -11.111 -0.598 1.00 0.00 C ATOM 226 CG LYS A 15 -8.309 -11.560 0.745 1.00 0.00 C ATOM 227 CD LYS A 15 -9.328 -12.680 0.585 1.00 0.00 C ATOM 228 CE LYS A 15 -10.414 -12.600 1.644 1.00 0.00 C ATOM 229 NZ LYS A 15 -10.921 -13.948 2.022 1.00 0.00 N ATOM 0 H LYS A 15 -6.515 -10.468 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.721 -10.863 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.951 -10.046 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.287 -11.631 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.492 -11.899 1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.775 -10.713 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.779 -12.624 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.824 -13.644 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.022 -12.098 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.239 -11.993 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.660 -13.850 2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.318 -14.417 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.139 -14.519 2.400 1.00 0.00 H new ATOM 243 N ASP A 16 -5.635 -13.326 0.530 1.00 0.00 N ATOM 244 CA ASP A 16 -5.335 -14.737 0.746 1.00 0.00 C ATOM 245 C ASP A 16 -6.370 -15.379 1.664 1.00 0.00 C ATOM 246 O ASP A 16 -7.395 -14.774 1.979 1.00 0.00 O ATOM 247 CB ASP A 16 -3.937 -14.897 1.345 1.00 0.00 C ATOM 248 CG ASP A 16 -2.892 -14.093 0.597 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.724 -12.896 0.913 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.240 -14.660 -0.304 1.00 0.00 O ATOM 0 H ASP A 16 -5.569 -12.748 1.368 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.369 -15.242 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.954 -14.584 2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.658 -15.951 1.333 1.00 0.00 H new ATOM 255 N ASP A 17 -6.094 -16.607 2.091 1.00 0.00 N ATOM 256 CA ASP A 17 -7.003 -17.331 2.975 1.00 0.00 C ATOM 257 C ASP A 17 -7.216 -16.572 4.280 1.00 0.00 C ATOM 258 O ASP A 17 -8.272 -16.677 4.904 1.00 0.00 O ATOM 259 CB ASP A 17 -6.457 -18.731 3.267 1.00 0.00 C ATOM 260 CG ASP A 17 -4.986 -18.715 3.634 1.00 0.00 C ATOM 261 OD1 ASP A 17 -4.546 -17.749 4.292 1.00 0.00 O ATOM 262 OD2 ASP A 17 -4.272 -19.670 3.260 1.00 0.00 O ATOM 0 H ASP A 17 -5.250 -17.122 1.840 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.965 -17.422 2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.027 -19.177 4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.603 -19.364 2.392 1.00 0.00 H new ATOM 267 N ASN A 18 -6.208 -15.807 4.687 1.00 0.00 N ATOM 268 CA ASN A 18 -6.288 -15.031 5.920 1.00 0.00 C ATOM 269 C ASN A 18 -6.880 -13.651 5.656 1.00 0.00 C ATOM 270 O ASN A 18 -7.808 -13.221 6.341 1.00 0.00 O ATOM 271 CB ASN A 18 -4.901 -14.892 6.550 1.00 0.00 C ATOM 272 CG ASN A 18 -4.419 -16.186 7.177 1.00 0.00 C ATOM 273 OD1 ASN A 18 -5.171 -16.870 7.871 1.00 0.00 O ATOM 274 ND2 ASN A 18 -3.158 -16.527 6.936 1.00 0.00 N ATOM 0 H ASN A 18 -5.327 -15.708 4.182 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.942 -15.561 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.189 -14.573 5.789 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.926 -14.111 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.777 -17.386 7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.570 -15.930 6.355 1.00 0.00 H new ATOM 281 N GLY A 19 -6.337 -12.960 4.660 1.00 0.00 N ATOM 282 CA GLY A 19 -6.825 -11.635 4.324 1.00 0.00 C ATOM 283 C GLY A 19 -5.731 -10.733 3.783 1.00 0.00 C ATOM 284 O GLY A 19 -5.017 -11.104 2.851 1.00 0.00 O ATOM 0 H GLY A 19 -5.568 -13.293 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.620 -11.721 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.264 -11.177 5.211 1.00 0.00 H new ATOM 288 N PHE A 20 -5.602 -9.547 4.368 1.00 0.00 N ATOM 289 CA PHE A 20 -4.590 -8.588 3.939 1.00 0.00 C ATOM 290 C PHE A 20 -3.597 -8.306 5.062 1.00 0.00 C ATOM 291 O PHE A 20 -3.956 -7.736 6.092 1.00 0.00 O ATOM 292 CB PHE A 20 -5.251 -7.285 3.489 1.00 0.00 C ATOM 293 CG PHE A 20 -6.277 -7.472 2.407 1.00 0.00 C ATOM 294 CD1 PHE A 20 -7.579 -7.824 2.724 1.00 0.00 C ATOM 295 CD2 PHE A 20 -5.939 -7.298 1.075 1.00 0.00 C ATOM 296 CE1 PHE A 20 -8.526 -7.997 1.731 1.00 0.00 C ATOM 297 CE2 PHE A 20 -6.880 -7.471 0.079 1.00 0.00 C ATOM 298 CZ PHE A 20 -8.176 -7.821 0.407 1.00 0.00 C ATOM 0 H PHE A 20 -6.186 -9.227 5.141 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.048 -9.022 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.725 -6.812 4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.481 -6.601 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.857 -7.965 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.928 -7.024 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.538 -8.269 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.603 -7.333 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.913 -7.957 -0.370 1.00 0.00 H new ATOM 308 N GLY A 21 -2.347 -8.707 4.854 1.00 0.00 N ATOM 309 CA GLY A 21 -1.321 -8.488 5.857 1.00 0.00 C ATOM 310 C GLY A 21 -0.910 -7.033 5.955 1.00 0.00 C ATOM 311 O GLY A 21 -0.515 -6.561 7.022 1.00 0.00 O ATOM 0 H GLY A 21 -2.026 -9.180 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.687 -8.825 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.447 -9.094 5.617 1.00 0.00 H new ATOM 315 N LEU A 22 -1.003 -6.317 4.838 1.00 0.00 N ATOM 316 CA LEU A 22 -0.637 -4.905 4.798 1.00 0.00 C ATOM 317 C LEU A 22 -1.410 -4.108 5.846 1.00 0.00 C ATOM 318 O LEU A 22 -2.629 -3.964 5.756 1.00 0.00 O ATOM 319 CB LEU A 22 -0.905 -4.328 3.407 1.00 0.00 C ATOM 320 CG LEU A 22 0.170 -4.632 2.360 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.268 -5.781 1.464 1.00 0.00 C ATOM 322 CD2 LEU A 22 0.475 -3.394 1.531 1.00 0.00 C ATOM 0 H LEU A 22 -1.329 -6.692 3.947 1.00 0.00 H new ATOM 0 HA LEU A 22 0.427 -4.827 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.859 -4.714 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.011 -3.247 3.493 1.00 0.00 H new ATOM 0 HG LEU A 22 1.081 -4.929 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.508 -5.983 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.434 -6.672 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.193 -5.512 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.241 -3.630 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.431 -3.065 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.833 -2.598 2.184 1.00 0.00 H new ATOM 334 N THR A 23 -0.690 -3.591 6.837 1.00 0.00 N ATOM 335 CA THR A 23 -1.305 -2.807 7.900 1.00 0.00 C ATOM 336 C THR A 23 -1.091 -1.315 7.662 1.00 0.00 C ATOM 337 O THR A 23 0.044 -0.851 7.551 1.00 0.00 O ATOM 338 CB THR A 23 -0.724 -3.207 9.258 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.695 -4.617 9.394 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.501 -2.647 10.430 1.00 0.00 C ATOM 0 H THR A 23 0.320 -3.702 6.925 1.00 0.00 H new ATOM 0 HA THR A 23 -2.376 -3.010 7.898 1.00 0.00 H new ATOM 0 HB THR A 23 0.282 -2.788 9.278 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.319 -4.854 10.267 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.036 -2.969 11.362 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.500 -1.558 10.381 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.528 -3.011 10.393 1.00 0.00 H new ATOM 348 N VAL A 24 -2.190 -0.571 7.580 1.00 0.00 N ATOM 349 CA VAL A 24 -2.127 0.868 7.349 1.00 0.00 C ATOM 350 C VAL A 24 -2.984 1.627 8.359 1.00 0.00 C ATOM 351 O VAL A 24 -4.073 1.182 8.722 1.00 0.00 O ATOM 352 CB VAL A 24 -2.590 1.227 5.923 1.00 0.00 C ATOM 353 CG1 VAL A 24 -4.028 0.787 5.700 1.00 0.00 C ATOM 354 CG2 VAL A 24 -2.429 2.719 5.661 1.00 0.00 C ATOM 0 H VAL A 24 -3.136 -0.942 7.670 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.085 1.163 7.470 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.958 0.692 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.336 1.049 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.103 -0.292 5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.677 1.288 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.762 2.949 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.029 3.281 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.381 2.996 5.770 1.00 0.00 H new ATOM 364 N SER A 25 -2.486 2.774 8.808 1.00 0.00 N ATOM 365 CA SER A 25 -3.207 3.596 9.773 1.00 0.00 C ATOM 366 C SER A 25 -2.887 5.075 9.574 1.00 0.00 C ATOM 367 O SER A 25 -1.728 5.449 9.394 1.00 0.00 O ATOM 368 CB SER A 25 -2.854 3.172 11.200 1.00 0.00 C ATOM 369 OG SER A 25 -3.076 1.785 11.390 1.00 0.00 O ATOM 0 H SER A 25 -1.585 3.156 8.519 1.00 0.00 H new ATOM 0 HA SER A 25 -4.275 3.449 9.612 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.810 3.408 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.454 3.740 11.911 1.00 0.00 H new ATOM 0 HG SER A 25 -2.841 1.539 12.309 1.00 0.00 H new ATOM 375 N GLY A 26 -3.919 5.911 9.611 1.00 0.00 N ATOM 376 CA GLY A 26 -3.724 7.339 9.433 1.00 0.00 C ATOM 377 C GLY A 26 -5.029 8.110 9.447 1.00 0.00 C ATOM 378 O GLY A 26 -6.025 7.670 8.870 1.00 0.00 O ATOM 0 H GLY A 26 -4.887 5.626 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.075 7.715 10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.211 7.517 8.488 1.00 0.00 H new ATOM 382 N ASP A 27 -5.026 9.264 10.105 1.00 0.00 N ATOM 383 CA ASP A 27 -6.219 10.099 10.190 1.00 0.00 C ATOM 384 C ASP A 27 -6.618 10.616 8.812 1.00 0.00 C ATOM 385 O ASP A 27 -7.526 10.078 8.177 1.00 0.00 O ATOM 386 CB ASP A 27 -5.979 11.273 11.143 1.00 0.00 C ATOM 387 CG ASP A 27 -6.269 10.915 12.588 1.00 0.00 C ATOM 388 OD1 ASP A 27 -5.352 10.412 13.270 1.00 0.00 O ATOM 389 OD2 ASP A 27 -7.414 11.135 13.036 1.00 0.00 O ATOM 0 H ASP A 27 -4.211 9.643 10.587 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.035 9.489 10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.944 11.603 11.054 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.608 12.112 10.846 1.00 0.00 H new ATOM 394 N ASN A 28 -5.935 11.660 8.352 1.00 0.00 N ATOM 395 CA ASN A 28 -6.220 12.244 7.047 1.00 0.00 C ATOM 396 C ASN A 28 -5.611 11.398 5.930 1.00 0.00 C ATOM 397 O ASN A 28 -6.327 10.876 5.076 1.00 0.00 O ATOM 398 CB ASN A 28 -5.685 13.677 6.977 1.00 0.00 C ATOM 399 CG ASN A 28 -6.797 14.704 6.874 1.00 0.00 C ATOM 400 OD1 ASN A 28 -7.126 15.173 5.786 1.00 0.00 O ATOM 401 ND2 ASN A 28 -7.379 15.061 8.013 1.00 0.00 N ATOM 0 H ASN A 28 -5.181 12.118 8.864 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.301 12.265 6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.085 13.882 7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.024 13.774 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.131 15.750 8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.074 14.646 8.893 1.00 0.00 H new ATOM 408 N PRO A 29 -4.273 11.247 5.924 1.00 0.00 N ATOM 409 CA PRO A 29 -3.574 10.458 4.908 1.00 0.00 C ATOM 410 C PRO A 29 -3.713 8.959 5.149 1.00 0.00 C ATOM 411 O PRO A 29 -4.530 8.523 5.959 1.00 0.00 O ATOM 412 CB PRO A 29 -2.120 10.895 5.073 1.00 0.00 C ATOM 413 CG PRO A 29 -2.003 11.267 6.510 1.00 0.00 C ATOM 414 CD PRO A 29 -3.341 11.833 6.908 1.00 0.00 C ATOM 0 HA PRO A 29 -3.974 10.623 3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.432 10.090 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.883 11.738 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.752 10.398 7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.210 12.000 6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.607 11.554 7.928 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.345 12.922 6.864 1.00 0.00 H new ATOM 422 N VAL A 30 -2.909 8.172 4.441 1.00 0.00 N ATOM 423 CA VAL A 30 -2.945 6.721 4.580 1.00 0.00 C ATOM 424 C VAL A 30 -1.633 6.091 4.128 1.00 0.00 C ATOM 425 O VAL A 30 -1.364 5.980 2.931 1.00 0.00 O ATOM 426 CB VAL A 30 -4.103 6.102 3.772 1.00 0.00 C ATOM 427 CG1 VAL A 30 -5.422 6.281 4.508 1.00 0.00 C ATOM 428 CG2 VAL A 30 -4.171 6.713 2.381 1.00 0.00 C ATOM 0 H VAL A 30 -2.225 8.515 3.766 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.100 6.513 5.639 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.916 5.034 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.228 5.838 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.366 5.790 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.618 7.344 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.994 6.263 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.333 7.788 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.235 6.526 1.855 1.00 0.00 H new ATOM 438 N PHE A 31 -0.819 5.676 5.093 1.00 0.00 N ATOM 439 CA PHE A 31 0.467 5.053 4.797 1.00 0.00 C ATOM 440 C PHE A 31 0.553 3.669 5.430 1.00 0.00 C ATOM 441 O PHE A 31 0.161 3.477 6.580 1.00 0.00 O ATOM 442 CB PHE A 31 1.612 5.932 5.303 1.00 0.00 C ATOM 443 CG PHE A 31 1.548 6.213 6.776 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.623 7.113 7.282 1.00 0.00 C ATOM 445 CD2 PHE A 31 2.411 5.580 7.655 1.00 0.00 C ATOM 446 CE1 PHE A 31 0.561 7.375 8.639 1.00 0.00 C ATOM 447 CE2 PHE A 31 2.353 5.837 9.011 1.00 0.00 C ATOM 448 CZ PHE A 31 1.428 6.735 9.504 1.00 0.00 C ATOM 0 H PHE A 31 -1.027 5.760 6.088 1.00 0.00 H new ATOM 0 HA PHE A 31 0.554 4.946 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.560 5.445 5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.600 6.877 4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.057 7.615 6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.138 4.877 7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.164 8.078 9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.031 5.335 9.685 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.382 6.937 10.564 1.00 0.00 H new ATOM 458 N VAL A 32 1.069 2.706 4.673 1.00 0.00 N ATOM 459 CA VAL A 32 1.205 1.341 5.165 1.00 0.00 C ATOM 460 C VAL A 32 2.462 1.191 6.011 1.00 0.00 C ATOM 461 O VAL A 32 3.571 1.421 5.535 1.00 0.00 O ATOM 462 CB VAL A 32 1.252 0.326 4.006 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.232 -1.098 4.542 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.095 0.556 3.045 1.00 0.00 C ATOM 0 H VAL A 32 1.399 2.846 3.718 1.00 0.00 H new ATOM 0 HA VAL A 32 0.328 1.135 5.779 1.00 0.00 H new ATOM 0 HB VAL A 32 2.183 0.472 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.266 -1.801 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.097 -1.257 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.319 -1.258 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.146 -0.170 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.849 0.440 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.158 1.564 2.634 1.00 0.00 H new ATOM 474 N GLN A 33 2.279 0.804 7.269 1.00 0.00 N ATOM 475 CA GLN A 33 3.401 0.626 8.184 1.00 0.00 C ATOM 476 C GLN A 33 3.978 -0.782 8.077 1.00 0.00 C ATOM 477 O GLN A 33 5.168 -0.993 8.312 1.00 0.00 O ATOM 478 CB GLN A 33 2.959 0.899 9.622 1.00 0.00 C ATOM 479 CG GLN A 33 4.109 1.245 10.556 1.00 0.00 C ATOM 480 CD GLN A 33 3.785 0.960 12.009 1.00 0.00 C ATOM 481 OE1 GLN A 33 3.090 1.734 12.666 1.00 0.00 O ATOM 482 NE2 GLN A 33 4.290 -0.158 12.518 1.00 0.00 N ATOM 0 H GLN A 33 1.365 0.608 7.678 1.00 0.00 H new ATOM 0 HA GLN A 33 4.178 1.338 7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.241 1.719 9.623 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.440 0.021 10.007 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.992 0.675 10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.359 2.300 10.443 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.861 -0.771 11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.106 -0.404 13.491 1.00 0.00 H new ATOM 491 N SER A 34 3.132 -1.744 7.724 1.00 0.00 N ATOM 492 CA SER A 34 3.568 -3.128 7.590 1.00 0.00 C ATOM 493 C SER A 34 3.038 -3.752 6.304 1.00 0.00 C ATOM 494 O SER A 34 1.953 -3.408 5.835 1.00 0.00 O ATOM 495 CB SER A 34 3.105 -3.948 8.797 1.00 0.00 C ATOM 496 OG SER A 34 3.183 -5.337 8.532 1.00 0.00 O ATOM 0 H SER A 34 2.143 -1.591 7.526 1.00 0.00 H new ATOM 0 HA SER A 34 4.657 -3.134 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.721 -3.705 9.663 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.079 -3.680 9.050 1.00 0.00 H new ATOM 0 HG SER A 34 2.883 -5.838 9.319 1.00 0.00 H new ATOM 502 N VAL A 35 3.811 -4.674 5.738 1.00 0.00 N ATOM 503 CA VAL A 35 3.421 -5.350 4.506 1.00 0.00 C ATOM 504 C VAL A 35 3.708 -6.846 4.590 1.00 0.00 C ATOM 505 O VAL A 35 4.597 -7.277 5.321 1.00 0.00 O ATOM 506 CB VAL A 35 4.155 -4.764 3.286 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.732 -3.323 3.048 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.662 -4.863 3.470 1.00 0.00 C ATOM 0 H VAL A 35 4.712 -4.970 6.114 1.00 0.00 H new ATOM 0 HA VAL A 35 2.349 -5.193 4.383 1.00 0.00 H new ATOM 0 HB VAL A 35 3.881 -5.347 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.262 -2.927 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.658 -3.284 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.973 -2.723 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.163 -4.444 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.957 -4.307 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.947 -5.909 3.584 1.00 0.00 H new ATOM 518 N LYS A 36 2.947 -7.632 3.832 1.00 0.00 N ATOM 519 CA LYS A 36 3.121 -9.080 3.820 1.00 0.00 C ATOM 520 C LYS A 36 4.444 -9.462 3.164 1.00 0.00 C ATOM 521 O LYS A 36 4.655 -9.209 1.977 1.00 0.00 O ATOM 522 CB LYS A 36 1.960 -9.747 3.082 1.00 0.00 C ATOM 523 CG LYS A 36 1.797 -11.223 3.413 1.00 0.00 C ATOM 524 CD LYS A 36 0.335 -11.598 3.592 1.00 0.00 C ATOM 525 CE LYS A 36 0.049 -12.992 3.055 1.00 0.00 C ATOM 526 NZ LYS A 36 0.681 -14.049 3.893 1.00 0.00 N ATOM 0 H LYS A 36 2.206 -7.290 3.220 1.00 0.00 H new ATOM 0 HA LYS A 36 3.134 -9.429 4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.036 -9.224 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.112 -9.638 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.233 -11.825 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.347 -11.455 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.073 -11.553 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.294 -10.872 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.028 -13.153 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.418 -13.070 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.463 -14.985 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.712 -13.910 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.310 -13.991 4.863 1.00 0.00 H new ATOM 540 N GLU A 37 5.332 -10.075 3.943 1.00 0.00 N ATOM 541 CA GLU A 37 6.633 -10.492 3.436 1.00 0.00 C ATOM 542 C GLU A 37 6.527 -11.825 2.701 1.00 0.00 C ATOM 543 O GLU A 37 5.885 -12.759 3.177 1.00 0.00 O ATOM 544 CB GLU A 37 7.638 -10.604 4.586 1.00 0.00 C ATOM 545 CG GLU A 37 8.839 -9.685 4.432 1.00 0.00 C ATOM 546 CD GLU A 37 10.134 -10.340 4.870 1.00 0.00 C ATOM 547 OE1 GLU A 37 10.625 -11.230 4.144 1.00 0.00 O ATOM 548 OE2 GLU A 37 10.659 -9.963 5.939 1.00 0.00 O ATOM 0 H GLU A 37 5.173 -10.293 4.927 1.00 0.00 H new ATOM 0 HA GLU A 37 6.982 -9.738 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.132 -10.374 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.986 -11.635 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.926 -9.378 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.677 -8.780 5.018 1.00 0.00 H new ATOM 555 N ASP A 38 7.164 -11.903 1.535 1.00 0.00 N ATOM 556 CA ASP A 38 7.142 -13.121 0.730 1.00 0.00 C ATOM 557 C ASP A 38 5.710 -13.550 0.428 1.00 0.00 C ATOM 558 O ASP A 38 5.418 -14.741 0.326 1.00 0.00 O ATOM 559 CB ASP A 38 7.883 -14.248 1.453 1.00 0.00 C ATOM 560 CG ASP A 38 8.636 -15.150 0.497 1.00 0.00 C ATOM 561 OD1 ASP A 38 7.987 -15.992 -0.160 1.00 0.00 O ATOM 562 OD2 ASP A 38 9.874 -15.017 0.405 1.00 0.00 O ATOM 0 H ASP A 38 7.701 -11.138 1.127 1.00 0.00 H new ATOM 0 HA ASP A 38 7.645 -12.911 -0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.583 -13.818 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.168 -14.842 2.022 1.00 0.00 H new ATOM 567 N GLY A 39 4.822 -12.573 0.285 1.00 0.00 N ATOM 568 CA GLY A 39 3.432 -12.871 -0.005 1.00 0.00 C ATOM 569 C GLY A 39 2.848 -11.953 -1.060 1.00 0.00 C ATOM 570 O GLY A 39 3.538 -11.554 -1.997 1.00 0.00 O ATOM 0 H GLY A 39 5.040 -11.580 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.348 -13.905 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.847 -12.785 0.911 1.00 0.00 H new ATOM 574 N ALA A 40 1.571 -11.616 -0.907 1.00 0.00 N ATOM 575 CA ALA A 40 0.892 -10.739 -1.854 1.00 0.00 C ATOM 576 C ALA A 40 1.558 -9.369 -1.907 1.00 0.00 C ATOM 577 O ALA A 40 1.780 -8.817 -2.985 1.00 0.00 O ATOM 578 CB ALA A 40 -0.576 -10.602 -1.481 1.00 0.00 C ATOM 0 H ALA A 40 0.986 -11.937 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 40 0.964 -11.186 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.073 -9.945 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.050 -11.584 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.659 -10.179 -0.480 1.00 0.00 H new ATOM 584 N ALA A 41 1.875 -8.824 -0.737 1.00 0.00 N ATOM 585 CA ALA A 41 2.515 -7.516 -0.651 1.00 0.00 C ATOM 586 C ALA A 41 3.902 -7.542 -1.283 1.00 0.00 C ATOM 587 O ALA A 41 4.253 -6.663 -2.071 1.00 0.00 O ATOM 588 CB ALA A 41 2.602 -7.068 0.800 1.00 0.00 C ATOM 0 H ALA A 41 1.699 -9.268 0.165 1.00 0.00 H new ATOM 0 HA ALA A 41 1.906 -6.802 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.082 -6.090 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.599 -7.002 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.188 -7.790 1.369 1.00 0.00 H new ATOM 594 N MET A 42 4.689 -8.555 -0.935 1.00 0.00 N ATOM 595 CA MET A 42 6.037 -8.693 -1.470 1.00 0.00 C ATOM 596 C MET A 42 6.005 -8.901 -2.979 1.00 0.00 C ATOM 597 O MET A 42 6.847 -8.376 -3.708 1.00 0.00 O ATOM 598 CB MET A 42 6.758 -9.863 -0.797 1.00 0.00 C ATOM 599 CG MET A 42 8.270 -9.699 -0.748 1.00 0.00 C ATOM 600 SD MET A 42 9.149 -11.094 -1.478 1.00 0.00 S ATOM 601 CE MET A 42 8.519 -11.051 -3.153 1.00 0.00 C ATOM 0 H MET A 42 4.416 -9.292 -0.285 1.00 0.00 H new ATOM 0 HA MET A 42 6.580 -7.771 -1.260 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.380 -9.976 0.219 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.518 -10.783 -1.331 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.549 -8.785 -1.273 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.584 -9.580 0.289 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.083 -11.748 -3.772 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.467 -11.335 -3.153 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.623 -10.043 -3.555 1.00 0.00 H new ATOM 611 N ARG A 43 5.027 -9.673 -3.444 1.00 0.00 N ATOM 612 CA ARG A 43 4.883 -9.950 -4.868 1.00 0.00 C ATOM 613 C ARG A 43 4.404 -8.709 -5.617 1.00 0.00 C ATOM 614 O ARG A 43 4.732 -8.515 -6.787 1.00 0.00 O ATOM 615 CB ARG A 43 3.902 -11.104 -5.088 1.00 0.00 C ATOM 616 CG ARG A 43 4.570 -12.469 -5.126 1.00 0.00 C ATOM 617 CD ARG A 43 3.650 -13.523 -5.721 1.00 0.00 C ATOM 618 NE ARG A 43 4.397 -14.619 -6.335 1.00 0.00 N ATOM 619 CZ ARG A 43 5.171 -14.477 -7.408 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.304 -13.291 -7.989 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.815 -15.527 -7.902 1.00 0.00 N ATOM 0 H ARG A 43 4.323 -10.117 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 43 5.860 -10.234 -5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.158 -11.095 -4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.368 -10.943 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.486 -12.411 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.857 -12.763 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.001 -13.920 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.005 -13.061 -6.468 1.00 0.00 H new ATOM 0 HE ARG A 43 4.321 -15.546 -5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.811 -12.481 -7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.899 -13.190 -8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.716 -16.441 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.409 -15.420 -8.724 1.00 0.00 H new ATOM 635 N ALA A 44 3.627 -7.875 -4.934 1.00 0.00 N ATOM 636 CA ALA A 44 3.104 -6.653 -5.535 1.00 0.00 C ATOM 637 C ALA A 44 4.185 -5.581 -5.649 1.00 0.00 C ATOM 638 O ALA A 44 4.026 -4.603 -6.381 1.00 0.00 O ATOM 639 CB ALA A 44 1.926 -6.131 -4.726 1.00 0.00 C ATOM 0 H ALA A 44 3.346 -8.023 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 44 2.765 -6.894 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.545 -5.219 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.137 -6.883 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.250 -5.917 -3.708 1.00 0.00 H new ATOM 645 N GLY A 45 5.286 -5.767 -4.926 1.00 0.00 N ATOM 646 CA GLY A 45 6.371 -4.805 -4.968 1.00 0.00 C ATOM 647 C GLY A 45 6.132 -3.617 -4.055 1.00 0.00 C ATOM 648 O GLY A 45 6.452 -2.482 -4.408 1.00 0.00 O ATOM 0 H GLY A 45 5.445 -6.566 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.300 -5.298 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.500 -4.452 -5.991 1.00 0.00 H new ATOM 652 N VAL A 46 5.568 -3.879 -2.880 1.00 0.00 N ATOM 653 CA VAL A 46 5.287 -2.820 -1.916 1.00 0.00 C ATOM 654 C VAL A 46 6.404 -2.713 -0.882 1.00 0.00 C ATOM 655 O VAL A 46 7.105 -3.686 -0.608 1.00 0.00 O ATOM 656 CB VAL A 46 3.947 -3.057 -1.194 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.981 -4.361 -0.405 1.00 0.00 C ATOM 658 CG2 VAL A 46 3.612 -1.883 -0.287 1.00 0.00 C ATOM 0 H VAL A 46 5.297 -4.813 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 46 5.224 -1.887 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 46 3.163 -3.139 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.024 -4.508 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.166 -5.193 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.777 -4.316 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.662 -2.070 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.398 -1.763 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.536 -0.973 -0.883 1.00 0.00 H new ATOM 668 N GLN A 47 6.561 -1.524 -0.310 1.00 0.00 N ATOM 669 CA GLN A 47 7.594 -1.289 0.694 1.00 0.00 C ATOM 670 C GLN A 47 6.979 -0.843 2.015 1.00 0.00 C ATOM 671 O GLN A 47 6.014 -0.077 2.037 1.00 0.00 O ATOM 672 CB GLN A 47 8.587 -0.236 0.200 1.00 0.00 C ATOM 673 CG GLN A 47 9.323 -0.641 -1.067 1.00 0.00 C ATOM 674 CD GLN A 47 8.452 -0.544 -2.303 1.00 0.00 C ATOM 675 OE1 GLN A 47 7.867 0.627 -2.523 1.00 0.00 O flip ATOM 676 NE2 GLN A 47 8.306 -1.509 -3.052 1.00 0.00 N flip ATOM 0 H GLN A 47 5.987 -0.708 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 47 8.123 -2.228 0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.054 0.697 0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.316 -0.039 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.199 -0.004 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.685 -1.664 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.775 -2.391 -2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.716 -1.427 -3.880 1.00 0.00 H new ATOM 685 N THR A 48 7.546 -1.326 3.117 1.00 0.00 N ATOM 686 CA THR A 48 7.055 -0.974 4.443 1.00 0.00 C ATOM 687 C THR A 48 7.159 0.527 4.678 1.00 0.00 C ATOM 688 O THR A 48 8.193 1.139 4.411 1.00 0.00 O ATOM 689 CB THR A 48 7.837 -1.727 5.521 1.00 0.00 C ATOM 690 OG1 THR A 48 7.598 -1.165 6.798 1.00 0.00 O ATOM 691 CG2 THR A 48 9.333 -1.725 5.291 1.00 0.00 C ATOM 0 H THR A 48 8.344 -1.961 3.117 1.00 0.00 H new ATOM 0 HA THR A 48 6.005 -1.262 4.501 1.00 0.00 H new ATOM 0 HB THR A 48 7.481 -2.756 5.468 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.655 -1.284 7.036 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.825 -2.276 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.555 -2.199 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.698 -0.698 5.280 1.00 0.00 H new ATOM 699 N GLY A 49 6.078 1.115 5.175 1.00 0.00 N ATOM 700 CA GLY A 49 6.061 2.542 5.433 1.00 0.00 C ATOM 701 C GLY A 49 5.861 3.350 4.167 1.00 0.00 C ATOM 702 O GLY A 49 6.361 4.469 4.049 1.00 0.00 O ATOM 0 H GLY A 49 5.211 0.628 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.263 2.772 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.999 2.835 5.905 1.00 0.00 H new ATOM 706 N ASP A 50 5.128 2.780 3.218 1.00 0.00 N ATOM 707 CA ASP A 50 4.861 3.448 1.951 1.00 0.00 C ATOM 708 C ASP A 50 3.635 4.349 2.060 1.00 0.00 C ATOM 709 O ASP A 50 2.694 4.048 2.794 1.00 0.00 O ATOM 710 CB ASP A 50 4.660 2.416 0.839 1.00 0.00 C ATOM 711 CG ASP A 50 3.435 1.550 1.067 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.310 2.046 0.850 1.00 0.00 O ATOM 713 OD2 ASP A 50 3.603 0.377 1.460 1.00 0.00 O ATOM 0 H ASP A 50 4.707 1.855 3.303 1.00 0.00 H new ATOM 0 HA ASP A 50 5.722 4.069 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.565 2.930 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.543 1.781 0.773 1.00 0.00 H new ATOM 718 N ARG A 51 3.653 5.458 1.326 1.00 0.00 N ATOM 719 CA ARG A 51 2.542 6.403 1.343 1.00 0.00 C ATOM 720 C ARG A 51 1.541 6.084 0.239 1.00 0.00 C ATOM 721 O ARG A 51 1.918 5.866 -0.912 1.00 0.00 O ATOM 722 CB ARG A 51 3.059 7.833 1.182 1.00 0.00 C ATOM 723 CG ARG A 51 3.720 8.385 2.436 1.00 0.00 C ATOM 724 CD ARG A 51 5.106 8.936 2.143 1.00 0.00 C ATOM 725 NE ARG A 51 5.053 10.282 1.582 1.00 0.00 N ATOM 726 CZ ARG A 51 6.060 10.851 0.921 1.00 0.00 C ATOM 727 NH1 ARG A 51 7.198 10.192 0.737 1.00 0.00 N ATOM 728 NH2 ARG A 51 5.928 12.079 0.441 1.00 0.00 N ATOM 0 H ARG A 51 4.424 5.724 0.713 1.00 0.00 H new ATOM 0 HA ARG A 51 2.036 6.314 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.775 7.861 0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.229 8.482 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.097 9.173 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.792 7.598 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.692 8.949 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.620 8.273 1.447 1.00 0.00 H new ATOM 0 HE ARG A 51 4.194 10.819 1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.304 9.246 1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.966 10.632 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.055 12.589 0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.699 12.514 -0.065 1.00 0.00 H new ATOM 742 N ILE A 52 0.260 6.058 0.599 1.00 0.00 N ATOM 743 CA ILE A 52 -0.797 5.766 -0.361 1.00 0.00 C ATOM 744 C ILE A 52 -1.426 7.049 -0.892 1.00 0.00 C ATOM 745 O ILE A 52 -1.910 7.879 -0.123 1.00 0.00 O ATOM 746 CB ILE A 52 -1.898 4.887 0.265 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.281 3.664 0.949 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.901 4.457 -0.796 1.00 0.00 C ATOM 749 CD1 ILE A 52 -1.898 3.352 2.296 1.00 0.00 C ATOM 0 H ILE A 52 -0.069 6.236 1.548 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.335 5.223 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.424 5.474 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.393 2.798 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.211 3.830 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.672 3.837 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.361 5.339 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.389 3.886 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.413 2.474 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.763 4.203 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.963 3.154 2.171 1.00 0.00 H new ATOM 761 N ILE A 53 -1.416 7.204 -2.212 1.00 0.00 N ATOM 762 CA ILE A 53 -1.986 8.386 -2.847 1.00 0.00 C ATOM 763 C ILE A 53 -3.448 8.158 -3.215 1.00 0.00 C ATOM 764 O ILE A 53 -4.292 9.031 -3.014 1.00 0.00 O ATOM 765 CB ILE A 53 -1.203 8.776 -4.115 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.296 8.857 -3.815 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.711 10.103 -4.666 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.161 8.257 -4.902 1.00 0.00 C ATOM 0 H ILE A 53 -1.019 6.526 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.918 9.199 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.361 8.006 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.575 9.901 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.499 8.344 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.148 10.365 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.768 10.012 -4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.581 10.882 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.211 8.349 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.910 7.204 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.987 8.786 -5.839 1.00 0.00 H new ATOM 780 N LYS A 54 -3.740 6.979 -3.756 1.00 0.00 N ATOM 781 CA LYS A 54 -5.101 6.636 -4.152 1.00 0.00 C ATOM 782 C LYS A 54 -5.351 5.140 -3.997 1.00 0.00 C ATOM 783 O LYS A 54 -4.465 4.323 -4.252 1.00 0.00 O ATOM 784 CB LYS A 54 -5.356 7.062 -5.598 1.00 0.00 C ATOM 785 CG LYS A 54 -4.974 8.505 -5.883 1.00 0.00 C ATOM 786 CD LYS A 54 -5.201 8.863 -7.342 1.00 0.00 C ATOM 787 CE LYS A 54 -4.167 9.861 -7.838 1.00 0.00 C ATOM 788 NZ LYS A 54 -2.806 9.262 -7.909 1.00 0.00 N ATOM 0 H LYS A 54 -3.053 6.246 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.790 7.170 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.795 6.408 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.412 6.922 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.560 9.170 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.926 8.662 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.157 7.960 -7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.200 9.282 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.456 10.223 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.149 10.725 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.127 9.885 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.812 8.332 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.528 9.150 -8.905 1.00 0.00 H new ATOM 802 N VAL A 55 -6.562 4.786 -3.577 1.00 0.00 N ATOM 803 CA VAL A 55 -6.927 3.387 -3.388 1.00 0.00 C ATOM 804 C VAL A 55 -7.947 2.938 -4.429 1.00 0.00 C ATOM 805 O VAL A 55 -9.053 3.474 -4.501 1.00 0.00 O ATOM 806 CB VAL A 55 -7.507 3.143 -1.982 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.400 3.150 -0.939 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.566 4.185 -1.651 1.00 0.00 C ATOM 0 H VAL A 55 -7.307 5.449 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.013 2.805 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.980 2.161 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.829 2.976 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.681 2.363 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.896 4.116 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.964 3.996 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.120 5.179 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.374 4.127 -2.381 1.00 0.00 H new ATOM 818 N ASN A 56 -7.568 1.950 -5.233 1.00 0.00 N ATOM 819 CA ASN A 56 -8.450 1.427 -6.270 1.00 0.00 C ATOM 820 C ASN A 56 -8.817 2.514 -7.274 1.00 0.00 C ATOM 821 O ASN A 56 -9.918 2.516 -7.826 1.00 0.00 O ATOM 822 CB ASN A 56 -9.717 0.843 -5.643 1.00 0.00 C ATOM 823 CG ASN A 56 -9.538 -0.602 -5.215 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.434 -1.028 -4.879 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.627 -1.361 -5.228 1.00 0.00 N ATOM 0 H ASN A 56 -6.656 1.495 -5.186 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.918 0.637 -6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.001 1.443 -4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.537 0.908 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.569 -2.341 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.522 -0.964 -5.514 1.00 0.00 H new ATOM 832 N GLY A 57 -7.889 3.437 -7.506 1.00 0.00 N ATOM 833 CA GLY A 57 -8.135 4.516 -8.443 1.00 0.00 C ATOM 834 C GLY A 57 -9.274 5.418 -8.009 1.00 0.00 C ATOM 835 O GLY A 57 -9.931 6.043 -8.842 1.00 0.00 O ATOM 0 H GLY A 57 -6.971 3.456 -7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.228 5.110 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.362 4.096 -9.423 1.00 0.00 H new ATOM 839 N THR A 58 -9.507 5.488 -6.703 1.00 0.00 N ATOM 840 CA THR A 58 -10.576 6.320 -6.161 1.00 0.00 C ATOM 841 C THR A 58 -10.156 6.951 -4.837 1.00 0.00 C ATOM 842 O THR A 58 -10.122 6.284 -3.803 1.00 0.00 O ATOM 843 CB THR A 58 -11.847 5.494 -5.965 1.00 0.00 C ATOM 844 OG1 THR A 58 -12.792 6.203 -5.184 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.597 4.164 -5.288 1.00 0.00 C ATOM 0 H THR A 58 -8.971 4.979 -6.000 1.00 0.00 H new ATOM 0 HA THR A 58 -10.778 7.118 -6.876 1.00 0.00 H new ATOM 0 HB THR A 58 -12.227 5.307 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.599 5.658 -5.072 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.540 3.628 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.910 3.571 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.160 4.333 -4.304 1.00 0.00 H new ATOM 853 N LEU A 59 -9.836 8.241 -4.877 1.00 0.00 N ATOM 854 CA LEU A 59 -9.418 8.963 -3.680 1.00 0.00 C ATOM 855 C LEU A 59 -10.486 9.961 -3.246 1.00 0.00 C ATOM 856 O LEU A 59 -11.257 10.458 -4.066 1.00 0.00 O ATOM 857 CB LEU A 59 -8.096 9.690 -3.934 1.00 0.00 C ATOM 858 CG LEU A 59 -7.562 10.497 -2.750 1.00 0.00 C ATOM 859 CD1 LEU A 59 -7.042 9.568 -1.663 1.00 0.00 C ATOM 860 CD2 LEU A 59 -6.469 11.452 -3.205 1.00 0.00 C ATOM 0 H LEU A 59 -9.858 8.807 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.278 8.238 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.344 8.955 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.226 10.362 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.381 11.085 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.666 10.159 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.851 8.925 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.236 8.953 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.101 12.018 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.649 10.884 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.873 12.140 -3.948 1.00 0.00 H new ATOM 872 N VAL A 60 -10.527 10.249 -1.949 1.00 0.00 N ATOM 873 CA VAL A 60 -11.501 11.188 -1.404 1.00 0.00 C ATOM 874 C VAL A 60 -10.902 12.002 -0.264 1.00 0.00 C ATOM 875 O VAL A 60 -9.789 11.731 0.187 1.00 0.00 O ATOM 876 CB VAL A 60 -12.757 10.460 -0.893 1.00 0.00 C ATOM 877 CG1 VAL A 60 -13.564 9.901 -2.054 1.00 0.00 C ATOM 878 CG2 VAL A 60 -12.374 9.356 0.080 1.00 0.00 C ATOM 0 H VAL A 60 -9.897 9.846 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.783 11.858 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.381 11.181 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -14.447 9.390 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.872 10.716 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.952 9.195 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -13.274 8.852 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.728 8.636 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.845 9.787 0.930 1.00 0.00 H new ATOM 888 N THR A 61 -11.648 12.998 0.202 1.00 0.00 N ATOM 889 CA THR A 61 -11.191 13.849 1.294 1.00 0.00 C ATOM 890 C THR A 61 -11.272 13.112 2.627 1.00 0.00 C ATOM 891 O THR A 61 -10.341 13.158 3.432 1.00 0.00 O ATOM 892 CB THR A 61 -12.028 15.129 1.356 1.00 0.00 C ATOM 893 OG1 THR A 61 -12.643 15.387 0.106 1.00 0.00 O ATOM 894 CG2 THR A 61 -11.221 16.354 1.731 1.00 0.00 C ATOM 0 H THR A 61 -12.572 13.236 -0.160 1.00 0.00 H new ATOM 0 HA THR A 61 -10.150 14.112 1.106 1.00 0.00 H new ATOM 0 HB THR A 61 -12.771 14.951 2.133 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.175 16.208 0.166 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.874 17.226 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.772 16.207 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.435 16.512 0.993 1.00 0.00 H new ATOM 902 N HIS A 62 -12.389 12.429 2.853 1.00 0.00 N ATOM 903 CA HIS A 62 -12.593 11.679 4.086 1.00 0.00 C ATOM 904 C HIS A 62 -12.750 10.189 3.796 1.00 0.00 C ATOM 905 O HIS A 62 -13.603 9.788 3.004 1.00 0.00 O ATOM 906 CB HIS A 62 -13.827 12.199 4.826 1.00 0.00 C ATOM 907 CG HIS A 62 -15.077 12.172 4.003 1.00 0.00 C ATOM 908 ND1 HIS A 62 -15.430 12.883 2.904 1.00 0.00 N flip ATOM 909 CD2 HIS A 62 -16.142 11.340 4.277 1.00 0.00 C flip ATOM 910 CE1 HIS A 62 -16.689 12.471 2.541 1.00 0.00 C flip ATOM 911 NE2 HIS A 62 -17.095 11.540 3.384 1.00 0.00 N flip ATOM 0 H HIS A 62 -13.168 12.380 2.197 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.715 11.818 4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -13.981 11.600 5.724 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -13.640 13.222 5.153 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -16.190 10.635 5.094 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -17.255 12.848 1.702 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -17.993 11.057 3.352 1.00 0.00 H new ATOM 920 N SER A 63 -11.920 9.374 4.440 1.00 0.00 N ATOM 921 CA SER A 63 -11.966 7.930 4.248 1.00 0.00 C ATOM 922 C SER A 63 -11.713 7.195 5.561 1.00 0.00 C ATOM 923 O SER A 63 -12.546 6.410 6.014 1.00 0.00 O ATOM 924 CB SER A 63 -10.934 7.500 3.203 1.00 0.00 C ATOM 925 OG SER A 63 -9.622 7.846 3.611 1.00 0.00 O ATOM 0 H SER A 63 -11.208 9.690 5.099 1.00 0.00 H new ATOM 0 HA SER A 63 -12.963 7.669 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.997 6.423 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.159 7.975 2.248 1.00 0.00 H new ATOM 0 HG SER A 63 -8.981 7.559 2.928 1.00 0.00 H new ATOM 931 N ASN A 64 -10.559 7.454 6.167 1.00 0.00 N ATOM 932 CA ASN A 64 -10.192 6.815 7.429 1.00 0.00 C ATOM 933 C ASN A 64 -9.806 5.355 7.209 1.00 0.00 C ATOM 934 O ASN A 64 -9.797 4.870 6.078 1.00 0.00 O ATOM 935 CB ASN A 64 -11.342 6.910 8.437 1.00 0.00 C ATOM 936 CG ASN A 64 -10.868 7.312 9.820 1.00 0.00 C ATOM 937 OD1 ASN A 64 -10.591 8.484 10.077 1.00 0.00 O ATOM 938 ND2 ASN A 64 -10.772 6.340 10.719 1.00 0.00 N ATOM 0 H ASN A 64 -9.860 8.103 5.805 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.328 7.343 7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.074 7.636 8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.850 5.948 8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.458 6.551 11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.012 5.382 10.462 1.00 0.00 H new ATOM 945 N HIS A 65 -9.483 4.664 8.297 1.00 0.00 N ATOM 946 CA HIS A 65 -9.090 3.260 8.225 1.00 0.00 C ATOM 947 C HIS A 65 -10.249 2.380 7.767 1.00 0.00 C ATOM 948 O HIS A 65 -10.067 1.472 6.953 1.00 0.00 O ATOM 949 CB HIS A 65 -8.583 2.784 9.587 1.00 0.00 C ATOM 950 CG HIS A 65 -7.696 1.580 9.508 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.901 0.550 8.613 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.593 1.243 10.219 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.966 -0.367 8.777 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.159 0.029 9.744 1.00 0.00 N ATOM 0 H HIS A 65 -9.485 5.053 9.240 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.289 3.175 7.490 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.037 3.596 10.067 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.437 2.555 10.224 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.658 0.504 7.931 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.140 1.821 11.011 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.876 -1.285 8.216 1.00 0.00 H new ATOM 963 N LEU A 66 -11.441 2.645 8.300 1.00 0.00 N ATOM 964 CA LEU A 66 -12.623 1.864 7.948 1.00 0.00 C ATOM 965 C LEU A 66 -12.848 1.858 6.439 1.00 0.00 C ATOM 966 O LEU A 66 -13.137 0.814 5.848 1.00 0.00 O ATOM 967 CB LEU A 66 -13.857 2.424 8.657 1.00 0.00 C ATOM 968 CG LEU A 66 -14.061 3.934 8.507 1.00 0.00 C ATOM 969 CD1 LEU A 66 -15.075 4.229 7.411 1.00 0.00 C ATOM 970 CD2 LEU A 66 -14.506 4.547 9.826 1.00 0.00 C ATOM 0 H LEU A 66 -11.612 3.391 8.974 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.457 0.837 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.740 1.914 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.787 2.186 9.718 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.109 4.383 8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.207 5.307 7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.716 3.825 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.029 3.767 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.646 5.621 9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.446 4.093 10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.745 4.367 10.586 1.00 0.00 H new ATOM 982 N GLU A 67 -12.701 3.021 5.817 1.00 0.00 N ATOM 983 CA GLU A 67 -12.877 3.137 4.378 1.00 0.00 C ATOM 984 C GLU A 67 -11.800 2.348 3.650 1.00 0.00 C ATOM 985 O GLU A 67 -12.065 1.695 2.641 1.00 0.00 O ATOM 986 CB GLU A 67 -12.840 4.604 3.945 1.00 0.00 C ATOM 987 CG GLU A 67 -13.152 4.813 2.473 1.00 0.00 C ATOM 988 CD GLU A 67 -14.571 5.295 2.241 1.00 0.00 C ATOM 989 OE1 GLU A 67 -15.414 5.116 3.145 1.00 0.00 O ATOM 990 OE2 GLU A 67 -14.839 5.853 1.157 1.00 0.00 O ATOM 0 H GLU A 67 -12.461 3.894 6.286 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.852 2.725 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.555 5.169 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.853 5.013 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.453 5.538 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.998 3.877 1.936 1.00 0.00 H new ATOM 997 N VAL A 68 -10.580 2.403 4.178 1.00 0.00 N ATOM 998 CA VAL A 68 -9.462 1.682 3.587 1.00 0.00 C ATOM 999 C VAL A 68 -9.680 0.179 3.689 1.00 0.00 C ATOM 1000 O VAL A 68 -9.507 -0.552 2.709 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.130 2.049 4.271 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -6.960 1.404 3.543 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -7.959 3.559 4.338 1.00 0.00 C ATOM 0 H VAL A 68 -10.343 2.939 5.013 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.408 1.973 2.538 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.150 1.665 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.028 1.674 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.077 0.320 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.936 1.755 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.013 3.797 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.962 3.971 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.780 3.993 4.909 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.075 -0.281 4.876 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.327 -1.699 5.088 1.00 0.00 C ATOM 1015 C VAL A 69 -11.515 -2.153 4.250 1.00 0.00 C ATOM 1016 O VAL A 69 -11.489 -3.227 3.648 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.588 -2.022 6.573 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -11.774 -1.231 7.092 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -10.800 -3.517 6.773 1.00 0.00 C ATOM 0 H VAL A 69 -10.225 0.305 5.697 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.431 -2.238 4.780 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.708 -1.729 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.942 -1.473 8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.571 -0.165 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.662 -1.486 6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.982 -3.721 7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.659 -3.844 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.911 -4.057 6.448 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.555 -1.324 4.200 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.739 -1.648 3.413 1.00 0.00 C ATOM 1031 C LYS A 70 -13.396 -1.668 1.926 1.00 0.00 C ATOM 1032 O LYS A 70 -13.860 -2.533 1.183 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.864 -0.645 3.684 1.00 0.00 C ATOM 1034 CG LYS A 70 -16.044 -1.242 4.434 1.00 0.00 C ATOM 1035 CD LYS A 70 -15.609 -1.883 5.742 1.00 0.00 C ATOM 1036 CE LYS A 70 -16.799 -2.176 6.641 1.00 0.00 C ATOM 1037 NZ LYS A 70 -17.425 -3.490 6.324 1.00 0.00 N ATOM 0 H LYS A 70 -12.601 -0.431 4.691 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.085 -2.638 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.464 0.190 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.215 -0.240 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.779 -0.463 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.534 -1.988 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.072 -2.809 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.915 -1.221 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.477 -2.169 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.541 -1.385 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.232 -3.652 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.755 -3.488 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.725 -4.248 6.454 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.575 -0.710 1.503 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.166 -0.620 0.107 1.00 0.00 C ATOM 1053 C LEU A 71 -11.278 -1.801 -0.268 1.00 0.00 C ATOM 1054 O LEU A 71 -11.485 -2.442 -1.298 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.426 0.696 -0.150 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.266 1.796 -0.801 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.538 1.465 -2.261 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -13.572 1.993 -0.045 1.00 0.00 C ATOM 0 H LEU A 71 -12.182 0.012 2.106 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.062 -0.646 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.039 1.069 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.565 0.492 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.703 2.728 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.137 2.258 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.593 1.378 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.080 0.521 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.155 2.780 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.141 1.063 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.357 2.277 0.985 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.290 -2.087 0.573 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.381 -3.197 0.323 1.00 0.00 C ATOM 1072 C ILE A 72 -10.105 -4.534 0.459 1.00 0.00 C ATOM 1073 O ILE A 72 -9.820 -5.482 -0.273 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.168 -3.171 1.278 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.164 -4.258 0.892 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -8.620 -3.349 2.718 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -5.734 -3.912 1.248 1.00 0.00 C ATOM 0 H ILE A 72 -10.099 -1.567 1.430 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.018 -3.085 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.678 -2.201 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.439 -5.189 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.230 -4.438 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.752 -3.328 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.300 -2.541 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.132 -4.305 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.076 -4.727 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.441 -2.999 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.653 -3.761 2.324 1.00 0.00 H new ATOM 1089 N LYS A 73 -11.044 -4.603 1.400 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.807 -5.826 1.627 1.00 0.00 C ATOM 1091 C LYS A 73 -12.818 -6.052 0.508 1.00 0.00 C ATOM 1092 O LYS A 73 -13.170 -7.192 0.199 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.527 -5.761 2.974 1.00 0.00 C ATOM 1094 CG LYS A 73 -13.108 -7.095 3.416 1.00 0.00 C ATOM 1095 CD LYS A 73 -13.525 -7.068 4.880 1.00 0.00 C ATOM 1096 CE LYS A 73 -15.011 -7.346 5.044 1.00 0.00 C ATOM 1097 NZ LYS A 73 -15.847 -6.293 4.401 1.00 0.00 N ATOM 0 H LYS A 73 -11.294 -3.829 2.015 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.109 -6.663 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.829 -5.408 3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.330 -5.026 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.970 -7.340 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.370 -7.883 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.952 -7.810 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.287 -6.095 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.249 -8.316 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.254 -7.406 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.819 -6.349 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.450 -5.356 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.857 -6.438 3.371 1.00 0.00 H new ATOM 1111 N SER A 74 -13.282 -4.964 -0.098 1.00 0.00 N ATOM 1112 CA SER A 74 -14.253 -5.049 -1.183 1.00 0.00 C ATOM 1113 C SER A 74 -13.621 -5.663 -2.430 1.00 0.00 C ATOM 1114 O SER A 74 -13.369 -4.971 -3.417 1.00 0.00 O ATOM 1115 CB SER A 74 -14.811 -3.660 -1.506 1.00 0.00 C ATOM 1116 OG SER A 74 -13.851 -2.870 -2.187 1.00 0.00 O ATOM 0 H SER A 74 -13.001 -4.014 0.144 1.00 0.00 H new ATOM 0 HA SER A 74 -15.071 -5.693 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.707 -3.758 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.109 -3.161 -0.584 1.00 0.00 H new ATOM 0 HG SER A 74 -12.957 -3.067 -1.836 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.369 -6.966 -2.376 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.769 -7.653 -3.507 1.00 0.00 C ATOM 1124 C GLY A 75 -11.410 -8.238 -3.174 1.00 0.00 C ATOM 1125 O GLY A 75 -10.641 -7.647 -2.415 1.00 0.00 O ATOM 0 H GLY A 75 -13.569 -7.559 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.434 -8.451 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.668 -6.957 -4.339 1.00 0.00 H new ATOM 1129 N SER A 76 -11.114 -9.401 -3.743 1.00 0.00 N ATOM 1130 CA SER A 76 -9.838 -10.067 -3.503 1.00 0.00 C ATOM 1131 C SER A 76 -8.693 -9.307 -4.166 1.00 0.00 C ATOM 1132 O SER A 76 -7.564 -9.316 -3.677 1.00 0.00 O ATOM 1133 CB SER A 76 -9.883 -11.504 -4.028 1.00 0.00 C ATOM 1134 OG SER A 76 -10.541 -11.569 -5.281 1.00 0.00 O ATOM 0 H SER A 76 -11.740 -9.903 -4.374 1.00 0.00 H new ATOM 0 HA SER A 76 -9.663 -10.085 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.869 -11.891 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.399 -12.141 -3.309 1.00 0.00 H new ATOM 0 HG SER A 76 -10.555 -12.497 -5.595 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.994 -8.650 -5.282 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.990 -7.885 -6.011 1.00 0.00 C ATOM 1142 C TYR A 77 -8.039 -6.410 -5.620 1.00 0.00 C ATOM 1143 O TYR A 77 -9.045 -5.734 -5.836 1.00 0.00 O ATOM 1144 CB TYR A 77 -8.201 -8.035 -7.520 1.00 0.00 C ATOM 1145 CG TYR A 77 -6.943 -8.402 -8.274 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -6.313 -9.622 -8.058 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -6.388 -7.531 -9.202 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.165 -9.963 -8.746 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.239 -7.864 -9.893 1.00 0.00 C ATOM 1150 CZ TYR A 77 -4.630 -9.080 -9.662 1.00 0.00 C ATOM 1151 OH TYR A 77 -3.486 -9.417 -10.349 1.00 0.00 O ATOM 0 H TYR A 77 -9.924 -8.632 -5.700 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.008 -8.278 -5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.957 -8.799 -7.698 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.593 -7.099 -7.918 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.728 -10.314 -7.341 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.862 -6.578 -9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.688 -10.916 -8.568 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.819 -7.175 -10.611 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.242 -8.687 -10.956 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.947 -5.919 -5.044 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.866 -4.525 -4.623 1.00 0.00 C ATOM 1163 C VAL A 78 -5.629 -3.847 -5.204 1.00 0.00 C ATOM 1164 O VAL A 78 -4.527 -4.396 -5.155 1.00 0.00 O ATOM 1165 CB VAL A 78 -6.839 -4.403 -3.086 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.616 -5.104 -2.511 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -6.871 -2.942 -2.662 1.00 0.00 C ATOM 0 H VAL A 78 -6.106 -6.465 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.758 -4.026 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.729 -4.892 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.617 -5.005 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.642 -6.160 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.712 -4.649 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.851 -2.878 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.003 -2.425 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.782 -2.474 -3.036 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.819 -2.652 -5.753 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.717 -1.900 -6.344 1.00 0.00 C ATOM 1179 C ALA A 79 -4.771 -0.433 -5.931 1.00 0.00 C ATOM 1180 O ALA A 79 -5.686 0.298 -6.315 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.747 -2.025 -7.860 1.00 0.00 C ATOM 0 H ALA A 79 -6.724 -2.184 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.782 -2.321 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.920 -1.459 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.653 -3.074 -8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.690 -1.631 -8.239 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.784 -0.007 -5.148 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.719 1.374 -4.683 1.00 0.00 C ATOM 1189 C LEU A 80 -2.368 1.998 -5.020 1.00 0.00 C ATOM 1190 O LEU A 80 -1.320 1.391 -4.796 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.958 1.434 -3.172 1.00 0.00 C ATOM 1192 CG LEU A 80 -3.048 0.533 -2.337 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.805 1.290 -1.896 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.799 -0.012 -1.131 1.00 0.00 C ATOM 0 H LEU A 80 -3.019 -0.598 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.498 1.941 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.828 2.464 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.995 1.163 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.735 -0.308 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.170 0.632 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.256 1.630 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.097 2.151 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.136 -0.651 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.142 0.816 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.658 -0.592 -1.469 1.00 0.00 H new ATOM 1206 N THR A 81 -2.400 3.213 -5.558 1.00 0.00 N ATOM 1207 CA THR A 81 -1.177 3.919 -5.925 1.00 0.00 C ATOM 1208 C THR A 81 -0.480 4.475 -4.688 1.00 0.00 C ATOM 1209 O THR A 81 -1.086 5.195 -3.893 1.00 0.00 O ATOM 1210 CB THR A 81 -1.491 5.053 -6.902 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.166 4.558 -8.044 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.259 5.789 -7.381 1.00 0.00 C ATOM 0 H THR A 81 -3.259 3.729 -5.750 1.00 0.00 H new ATOM 0 HA THR A 81 -0.507 3.208 -6.409 1.00 0.00 H new ATOM 0 HB THR A 81 -2.117 5.750 -6.344 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.531 4.082 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.553 6.580 -8.071 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.259 6.226 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.406 5.092 -7.891 1.00 0.00 H new ATOM 1220 N VAL A 82 0.795 4.136 -4.530 1.00 0.00 N ATOM 1221 CA VAL A 82 1.575 4.602 -3.388 1.00 0.00 C ATOM 1222 C VAL A 82 2.869 5.267 -3.841 1.00 0.00 C ATOM 1223 O VAL A 82 3.185 5.292 -5.030 1.00 0.00 O ATOM 1224 CB VAL A 82 1.914 3.446 -2.428 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.666 2.978 -1.694 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.558 2.296 -3.186 1.00 0.00 C ATOM 0 H VAL A 82 1.311 3.540 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 82 0.959 5.331 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 82 2.628 3.809 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.925 2.161 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.251 3.805 -1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.073 2.632 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.791 1.488 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.870 1.932 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.476 2.642 -3.661 1.00 0.00 H new ATOM 1236 N GLN A 83 3.617 5.807 -2.884 1.00 0.00 N ATOM 1237 CA GLN A 83 4.879 6.475 -3.182 1.00 0.00 C ATOM 1238 C GLN A 83 5.972 6.032 -2.216 1.00 0.00 C ATOM 1239 O GLN A 83 5.765 5.997 -1.004 1.00 0.00 O ATOM 1240 CB GLN A 83 4.706 7.993 -3.114 1.00 0.00 C ATOM 1241 CG GLN A 83 5.562 8.750 -4.117 1.00 0.00 C ATOM 1242 CD GLN A 83 4.987 10.108 -4.467 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.482 11.139 -4.013 1.00 0.00 O ATOM 1244 NE2 GLN A 83 3.936 10.114 -5.279 1.00 0.00 N ATOM 0 H GLN A 83 3.371 5.795 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 83 5.178 6.196 -4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.658 8.239 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.953 8.334 -2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.565 8.878 -3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.661 8.156 -5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.559 9.234 -5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.506 10.998 -5.550 1.00 0.00 H new ATOM 1253 N GLY A 84 7.135 5.693 -2.761 1.00 0.00 N ATOM 1254 CA GLY A 84 8.244 5.256 -1.932 1.00 0.00 C ATOM 1255 C GLY A 84 9.553 5.912 -2.322 1.00 0.00 C ATOM 1256 O GLY A 84 10.149 5.566 -3.342 1.00 0.00 O ATOM 0 H GLY A 84 7.330 5.713 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.025 5.482 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.347 4.174 -2.009 1.00 0.00 H new ATOM 1260 N ARG A 85 10.001 6.865 -1.510 1.00 0.00 N ATOM 1261 CA ARG A 85 11.246 7.572 -1.776 1.00 0.00 C ATOM 1262 C ARG A 85 11.572 8.546 -0.646 1.00 0.00 C ATOM 1263 O ARG A 85 11.070 9.671 -0.624 1.00 0.00 O ATOM 1264 CB ARG A 85 11.152 8.329 -3.102 1.00 0.00 C ATOM 1265 CG ARG A 85 12.469 8.945 -3.546 1.00 0.00 C ATOM 1266 CD ARG A 85 13.355 7.926 -4.243 1.00 0.00 C ATOM 1267 NE ARG A 85 14.096 7.102 -3.292 1.00 0.00 N ATOM 1268 CZ ARG A 85 14.812 6.035 -3.637 1.00 0.00 C ATOM 1269 NH1 ARG A 85 14.889 5.660 -4.908 1.00 0.00 N ATOM 1270 NH2 ARG A 85 15.455 5.340 -2.708 1.00 0.00 N ATOM 0 H ARG A 85 9.519 7.164 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 85 12.047 6.835 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.800 7.647 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.405 9.117 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.273 9.779 -4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.992 9.351 -2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.741 7.285 -4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.056 8.443 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 85 14.063 7.360 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.398 6.191 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.440 4.841 -5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.400 5.624 -1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.004 4.522 -2.972 1.00 0.00 H new ATOM 1284 N PRO A 86 12.422 8.133 0.312 1.00 0.00 N ATOM 1285 CA PRO A 86 12.806 8.985 1.444 1.00 0.00 C ATOM 1286 C PRO A 86 13.635 10.188 1.003 1.00 0.00 C ATOM 1287 O PRO A 86 14.045 10.279 -0.154 1.00 0.00 O ATOM 1288 CB PRO A 86 13.639 8.055 2.329 1.00 0.00 C ATOM 1289 CG PRO A 86 14.143 6.998 1.408 1.00 0.00 C ATOM 1290 CD PRO A 86 13.073 6.810 0.369 1.00 0.00 C ATOM 0 HA PRO A 86 11.937 9.405 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.461 8.592 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.036 7.627 3.129 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.085 7.297 0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.332 6.069 1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.494 6.526 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.370 6.027 0.652 1.00 0.00 H new ATOM 1298 N PRO A 87 13.895 11.130 1.925 1.00 0.00 N ATOM 1299 CA PRO A 87 14.680 12.333 1.625 1.00 0.00 C ATOM 1300 C PRO A 87 16.130 12.005 1.284 1.00 0.00 C ATOM 1301 O PRO A 87 16.563 10.860 1.404 1.00 0.00 O ATOM 1302 CB PRO A 87 14.606 13.147 2.921 1.00 0.00 C ATOM 1303 CG PRO A 87 14.296 12.150 3.984 1.00 0.00 C ATOM 1304 CD PRO A 87 13.445 11.100 3.328 1.00 0.00 C ATOM 0 HA PRO A 87 14.293 12.863 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.548 13.657 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.834 13.914 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.209 11.715 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.768 12.617 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.597 10.119 3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.383 11.330 3.415 1.00 0.00 H new ATOM 1312 N GLY A 88 16.875 13.019 0.856 1.00 0.00 N ATOM 1313 CA GLY A 88 18.267 12.818 0.502 1.00 0.00 C ATOM 1314 C GLY A 88 19.219 13.252 1.603 1.00 0.00 C ATOM 1315 O GLY A 88 20.400 13.489 1.351 1.00 0.00 O ATOM 0 H GLY A 88 16.539 13.976 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 88 18.433 11.764 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.491 13.376 -0.407 1.00 0.00 H new ATOM 1319 N SER A 89 18.704 13.355 2.825 1.00 0.00 N ATOM 1320 CA SER A 89 19.520 13.761 3.965 1.00 0.00 C ATOM 1321 C SER A 89 20.185 15.111 3.709 1.00 0.00 C ATOM 1322 O SER A 89 19.601 16.142 4.105 1.00 0.00 O ATOM 1323 CB SER A 89 20.583 12.702 4.262 1.00 0.00 C ATOM 1324 OG SER A 89 20.126 11.775 5.231 1.00 0.00 O ATOM 1325 OXT SER A 89 21.284 15.123 3.116 1.00 0.00 O ATOM 0 H SER A 89 17.728 13.163 3.051 1.00 0.00 H new ATOM 0 HA SER A 89 18.865 13.860 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 89 20.841 12.175 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.492 13.186 4.618 1.00 0.00 H new ATOM 0 HG SER A 89 20.824 11.108 5.401 1.00 0.00 H new TER 1331 SER A 89