USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 16 TYR OH : rot -62:sc= 0.618 USER MOD Set 1.2: A 62 ASN : amide:sc= -2.49! C(o=-5.4!,f=-16!) USER MOD Set 1.3: A 65 ASN : amide:sc= -3.51 X(o=-5.4,f=-5.8!) USER MOD Single : A 1 ILE N :NH3+ -129:sc= 0.837 (180deg=-0.349) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.895 F(o=-1.8!,f=-0.9) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00364 USER MOD Single : A 15 SER OG : rot 111:sc= 0.31 USER MOD Single : A 18 GLN :FLIP amide:sc= -2.43! C(o=-4.3!,f=-2.4!) USER MOD Single : A 24 SER OG : rot -108:sc= -0.524 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.718 K(o=0.72,f=-0.43) USER MOD Single : A 35 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.7!) USER MOD Single : A 36 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.4) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.301 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 85:sc= 1.15 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0137 F(o=-0.61,f=-0.014) USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= 0.245 (180deg=0.0657) USER MOD Single : A 59 HIS : no HE2:sc= -0.577! C(o=-0.58!,f=-5!) USER MOD Single : A 60 ASN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 68 SER OG : rot 107:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= -0.287 (180deg=-1.39) USER MOD Single : A 76 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.03) USER MOD Single : A 79 TYR OH : rot 0:sc= -1.96 USER MOD Single : A 80 THR OG1 : rot 136:sc= 0.411 USER MOD Single : A 82 SER OG : rot 144:sc= 0.792! USER MOD Single : A 84 ASN : amide:sc= 0.557 K(o=0.56,f=-0.013) USER MOD Single : A 88 SER OG : rot -78:sc= 0.853 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.268 7.352 14.158 1.00 0.00 N ATOM 2 CA ILE A 1 -1.746 7.130 12.778 1.00 0.00 C ATOM 3 C ILE A 1 -2.857 7.502 11.776 1.00 0.00 C ATOM 4 O ILE A 1 -2.699 8.436 11.008 1.00 0.00 O ATOM 5 CB ILE A 1 -1.317 5.614 12.585 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.176 5.241 13.607 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.789 5.422 11.183 1.00 0.00 C ATOM 8 CD1 ILE A 1 0.276 3.747 13.454 1.00 0.00 C ATOM 0 H1 ILE A 1 -1.594 7.934 14.695 1.00 0.00 H new ATOM 0 H2 ILE A 1 -3.184 7.841 14.108 1.00 0.00 H new ATOM 0 H3 ILE A 1 -2.390 6.436 14.634 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.866 7.751 12.609 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.184 4.976 12.756 1.00 0.00 H new ATOM 0 HG12 ILE A 1 0.680 5.898 13.452 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.529 5.412 14.624 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.493 4.382 11.045 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.567 5.676 10.463 1.00 0.00 H new ATOM 0 HG23 ILE A 1 0.074 6.069 11.028 1.00 0.00 H new ATOM 0 HD11 ILE A 1 1.063 3.529 14.176 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.574 3.089 13.635 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.653 3.583 12.445 1.00 0.00 H new ATOM 22 N ASP A 2 -3.945 6.764 11.806 1.00 0.00 N ATOM 23 CA ASP A 2 -5.100 7.034 10.879 1.00 0.00 C ATOM 24 C ASP A 2 -4.606 7.008 9.418 1.00 0.00 C ATOM 25 O ASP A 2 -4.674 5.968 8.793 1.00 0.00 O ATOM 26 CB ASP A 2 -5.678 8.406 11.336 1.00 0.00 C ATOM 27 CG ASP A 2 -5.876 8.356 12.867 1.00 0.00 C ATOM 28 OD1 ASP A 2 -4.857 8.494 13.544 1.00 0.00 O ATOM 29 OD2 ASP A 2 -7.004 8.172 13.277 1.00 0.00 O ATOM 0 H ASP A 2 -4.085 5.977 12.440 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.887 6.281 10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.999 9.214 11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.626 8.606 10.836 1.00 0.00 H new ATOM 34 N CYS A 3 -4.128 8.105 8.898 1.00 0.00 N ATOM 35 CA CYS A 3 -3.622 8.109 7.485 1.00 0.00 C ATOM 36 C CYS A 3 -2.907 9.426 7.163 1.00 0.00 C ATOM 37 O CYS A 3 -2.991 9.959 6.076 1.00 0.00 O ATOM 38 CB CYS A 3 -4.763 7.908 6.461 1.00 0.00 C ATOM 39 SG CYS A 3 -4.086 7.548 4.821 1.00 0.00 S ATOM 0 H CYS A 3 -4.064 8.999 9.384 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.924 7.276 7.406 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.408 7.090 6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.382 8.804 6.417 1.00 0.00 H new ATOM 44 N GLY A 4 -2.190 9.930 8.132 1.00 0.00 N ATOM 45 CA GLY A 4 -1.453 11.215 7.904 1.00 0.00 C ATOM 46 C GLY A 4 -0.057 10.923 7.339 1.00 0.00 C ATOM 47 O GLY A 4 0.304 11.395 6.280 1.00 0.00 O ATOM 0 H GLY A 4 -2.081 9.518 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.010 11.846 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.368 11.767 8.840 1.00 0.00 H new ATOM 51 N HIS A 5 0.698 10.130 8.048 1.00 0.00 N ATOM 52 CA HIS A 5 2.080 9.795 7.577 1.00 0.00 C ATOM 53 C HIS A 5 2.022 8.584 6.633 1.00 0.00 C ATOM 54 O HIS A 5 2.790 8.485 5.699 1.00 0.00 O ATOM 55 CB HIS A 5 2.934 9.511 8.843 1.00 0.00 C ATOM 56 CG HIS A 5 4.436 9.552 8.524 1.00 0.00 C ATOM 57 ND1 HIS A 5 5.417 8.590 8.675 1.00 0.00 N flip ATOM 58 CD2 HIS A 5 5.066 10.566 8.032 1.00 0.00 C flip ATOM 59 CE1 HIS A 5 6.582 9.054 8.270 1.00 0.00 C flip ATOM 60 NE2 HIS A 5 6.320 10.276 7.881 1.00 0.00 N flip ATOM 0 H HIS A 5 0.423 9.699 8.930 1.00 0.00 H new ATOM 0 HA HIS A 5 2.529 10.613 7.013 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.703 10.248 9.613 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.673 8.534 9.249 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.615 11.515 7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.534 8.544 8.261 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.016 10.920 7.506 1.00 0.00 H new ATOM 68 N VAL A 6 1.110 7.683 6.882 1.00 0.00 N ATOM 69 CA VAL A 6 1.000 6.484 6.002 1.00 0.00 C ATOM 70 C VAL A 6 0.701 6.897 4.549 1.00 0.00 C ATOM 71 O VAL A 6 1.173 6.265 3.625 1.00 0.00 O ATOM 72 CB VAL A 6 -0.125 5.563 6.478 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.129 4.230 5.817 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.120 5.415 7.980 1.00 0.00 C ATOM 0 H VAL A 6 0.441 7.724 7.651 1.00 0.00 H new ATOM 0 HA VAL A 6 1.954 5.960 6.049 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.101 5.971 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.644 3.522 6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.109 4.351 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.105 3.853 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.932 4.754 8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.832 4.991 8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.256 6.393 8.442 1.00 0.00 H new ATOM 84 N ASP A 7 -0.075 7.940 4.372 1.00 0.00 N ATOM 85 CA ASP A 7 -0.413 8.409 2.987 1.00 0.00 C ATOM 86 C ASP A 7 0.867 8.629 2.178 1.00 0.00 C ATOM 87 O ASP A 7 1.121 7.955 1.201 1.00 0.00 O ATOM 88 CB ASP A 7 -1.202 9.755 3.027 1.00 0.00 C ATOM 89 CG ASP A 7 -1.592 10.235 1.602 1.00 0.00 C ATOM 90 OD1 ASP A 7 -1.635 9.422 0.688 1.00 0.00 O ATOM 91 OD2 ASP A 7 -1.838 11.428 1.517 1.00 0.00 O ATOM 0 H ASP A 7 -0.490 8.488 5.126 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.030 7.640 2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.103 9.631 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.595 10.518 3.515 1.00 0.00 H new ATOM 96 N SER A 8 1.675 9.569 2.599 1.00 0.00 N ATOM 97 CA SER A 8 2.954 9.847 1.860 1.00 0.00 C ATOM 98 C SER A 8 3.827 8.590 1.764 1.00 0.00 C ATOM 99 O SER A 8 4.689 8.527 0.906 1.00 0.00 O ATOM 100 CB SER A 8 3.768 10.948 2.577 1.00 0.00 C ATOM 101 OG SER A 8 4.994 11.098 1.849 1.00 0.00 O ATOM 0 H SER A 8 1.510 10.155 3.417 1.00 0.00 H new ATOM 0 HA SER A 8 2.679 10.175 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.214 11.886 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.965 10.671 3.613 1.00 0.00 H new ATOM 0 HG SER A 8 5.543 11.792 2.271 1.00 0.00 H new ATOM 107 N LEU A 9 3.620 7.632 2.628 1.00 0.00 N ATOM 108 CA LEU A 9 4.435 6.408 2.575 1.00 0.00 C ATOM 109 C LEU A 9 3.908 5.445 1.505 1.00 0.00 C ATOM 110 O LEU A 9 4.692 4.715 0.930 1.00 0.00 O ATOM 111 CB LEU A 9 4.386 5.828 3.969 1.00 0.00 C ATOM 112 CG LEU A 9 5.269 6.658 4.944 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.967 6.218 6.355 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.741 6.423 4.694 1.00 0.00 C ATOM 0 H LEU A 9 2.917 7.655 3.366 1.00 0.00 H new ATOM 0 HA LEU A 9 5.467 6.608 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.356 5.814 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.731 4.794 3.950 1.00 0.00 H new ATOM 0 HG LEU A 9 5.047 7.714 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.578 6.790 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.912 6.389 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.192 5.157 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.328 7.019 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.970 5.367 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.988 6.714 3.673 1.00 0.00 H new ATOM 126 N VAL A 10 2.629 5.442 1.252 1.00 0.00 N ATOM 127 CA VAL A 10 2.065 4.522 0.205 1.00 0.00 C ATOM 128 C VAL A 10 1.810 5.256 -1.129 1.00 0.00 C ATOM 129 O VAL A 10 1.642 4.645 -2.169 1.00 0.00 O ATOM 130 CB VAL A 10 0.761 3.916 0.779 1.00 0.00 C ATOM 131 CG1 VAL A 10 1.130 3.161 2.035 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.294 4.949 1.090 1.00 0.00 C ATOM 0 H VAL A 10 1.944 6.034 1.721 1.00 0.00 H new ATOM 0 HA VAL A 10 2.781 3.733 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 10 0.322 3.263 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.234 2.718 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.842 2.373 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.581 3.847 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.180 4.455 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.092 5.653 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.557 5.486 0.179 1.00 0.00 H new ATOM 142 N ARG A 11 1.778 6.554 -1.073 1.00 0.00 N ATOM 143 CA ARG A 11 1.552 7.392 -2.289 1.00 0.00 C ATOM 144 C ARG A 11 2.622 7.177 -3.391 1.00 0.00 C ATOM 145 O ARG A 11 2.272 7.078 -4.553 1.00 0.00 O ATOM 146 CB ARG A 11 1.528 8.870 -1.808 1.00 0.00 C ATOM 147 CG ARG A 11 0.609 9.747 -2.641 1.00 0.00 C ATOM 148 CD ARG A 11 -0.817 9.171 -2.538 1.00 0.00 C ATOM 149 NE ARG A 11 -1.750 10.221 -3.030 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.325 10.088 -4.184 1.00 0.00 C ATOM 151 NH1 ARG A 11 -3.459 9.465 -4.217 1.00 0.00 N ATOM 152 NH2 ARG A 11 -1.717 10.586 -5.222 1.00 0.00 N ATOM 0 H ARG A 11 1.902 7.088 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 11 0.611 7.106 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.208 8.903 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.539 9.275 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.632 10.775 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.939 9.767 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.910 8.263 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.050 8.901 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.937 11.045 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.866 9.101 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.946 9.338 -5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.821 11.060 -5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.137 10.502 -6.148 1.00 0.00 H new ATOM 166 N PRO A 12 3.891 7.125 -3.045 1.00 0.00 N ATOM 167 CA PRO A 12 4.961 6.922 -4.055 1.00 0.00 C ATOM 168 C PRO A 12 4.865 5.592 -4.806 1.00 0.00 C ATOM 169 O PRO A 12 5.352 5.504 -5.916 1.00 0.00 O ATOM 170 CB PRO A 12 6.272 7.054 -3.264 1.00 0.00 C ATOM 171 CG PRO A 12 5.854 6.577 -1.859 1.00 0.00 C ATOM 172 CD PRO A 12 4.487 7.256 -1.679 1.00 0.00 C ATOM 0 HA PRO A 12 4.881 7.657 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.065 6.436 -3.685 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.639 8.080 -3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.780 5.491 -1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.567 6.887 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.882 6.759 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.586 8.298 -1.376 1.00 0.00 H new ATOM 180 N CYS A 13 4.268 4.565 -4.232 1.00 0.00 N ATOM 181 CA CYS A 13 4.185 3.299 -4.969 1.00 0.00 C ATOM 182 C CYS A 13 3.120 3.371 -6.067 1.00 0.00 C ATOM 183 O CYS A 13 3.125 2.582 -6.993 1.00 0.00 O ATOM 184 CB CYS A 13 3.890 2.253 -3.959 1.00 0.00 C ATOM 185 SG CYS A 13 5.272 1.744 -2.912 1.00 0.00 S ATOM 0 H CYS A 13 3.848 4.567 -3.302 1.00 0.00 H new ATOM 0 HA CYS A 13 5.116 3.071 -5.487 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.088 2.614 -3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.511 1.373 -4.478 1.00 0.00 H new ATOM 190 N LEU A 14 2.213 4.312 -5.973 1.00 0.00 N ATOM 191 CA LEU A 14 1.144 4.442 -7.024 1.00 0.00 C ATOM 192 C LEU A 14 1.740 4.801 -8.393 1.00 0.00 C ATOM 193 O LEU A 14 1.159 4.531 -9.428 1.00 0.00 O ATOM 194 CB LEU A 14 0.144 5.552 -6.669 1.00 0.00 C ATOM 195 CG LEU A 14 -0.980 5.004 -5.781 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.508 4.882 -4.354 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.175 5.918 -5.886 1.00 0.00 C ATOM 0 H LEU A 14 2.163 4.996 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 14 0.646 3.473 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.660 6.362 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.279 5.973 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.266 4.007 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.316 4.492 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.343 4.203 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.209 5.863 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.981 5.537 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.898 6.919 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.511 5.960 -6.922 1.00 0.00 H new ATOM 209 N SER A 15 2.881 5.429 -8.370 1.00 0.00 N ATOM 210 CA SER A 15 3.588 5.835 -9.622 1.00 0.00 C ATOM 211 C SER A 15 3.705 4.658 -10.606 1.00 0.00 C ATOM 212 O SER A 15 3.770 4.823 -11.805 1.00 0.00 O ATOM 213 CB SER A 15 4.930 6.351 -9.159 1.00 0.00 C ATOM 214 OG SER A 15 4.548 7.318 -8.184 1.00 0.00 O ATOM 0 H SER A 15 3.369 5.686 -7.512 1.00 0.00 H new ATOM 0 HA SER A 15 3.047 6.601 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.547 5.561 -8.732 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.501 6.795 -9.974 1.00 0.00 H new ATOM 0 HG SER A 15 4.802 7.001 -7.292 1.00 0.00 H new ATOM 220 N TYR A 16 3.724 3.476 -10.060 1.00 0.00 N ATOM 221 CA TYR A 16 3.838 2.243 -10.895 1.00 0.00 C ATOM 222 C TYR A 16 2.436 1.665 -11.102 1.00 0.00 C ATOM 223 O TYR A 16 2.058 1.263 -12.186 1.00 0.00 O ATOM 224 CB TYR A 16 4.726 1.272 -10.142 1.00 0.00 C ATOM 225 CG TYR A 16 4.863 -0.062 -10.881 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.901 -0.139 -12.259 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.931 -1.224 -10.144 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.999 -1.358 -12.876 1.00 0.00 C ATOM 229 CE2 TYR A 16 5.030 -2.451 -10.768 1.00 0.00 C ATOM 230 CZ TYR A 16 5.059 -2.519 -12.142 1.00 0.00 C ATOM 231 OH TYR A 16 5.114 -3.714 -12.818 1.00 0.00 O ATOM 0 H TYR A 16 3.665 3.307 -9.056 1.00 0.00 H new ATOM 0 HA TYR A 16 4.271 2.448 -11.874 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.713 1.714 -10.003 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.313 1.097 -9.149 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.853 0.763 -12.851 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.907 -1.174 -9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.030 -1.408 -13.954 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.085 -3.355 -10.180 1.00 0.00 H new ATOM 0 HH TYR A 16 4.298 -3.827 -13.349 1.00 0.00 H new ATOM 241 N VAL A 17 1.703 1.644 -10.029 1.00 0.00 N ATOM 242 CA VAL A 17 0.307 1.105 -10.101 1.00 0.00 C ATOM 243 C VAL A 17 -0.543 1.856 -11.131 1.00 0.00 C ATOM 244 O VAL A 17 -1.436 1.293 -11.729 1.00 0.00 O ATOM 245 CB VAL A 17 -0.403 1.217 -8.753 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.649 0.371 -8.841 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.511 0.692 -7.682 1.00 0.00 C ATOM 0 H VAL A 17 2.000 1.972 -9.110 1.00 0.00 H new ATOM 0 HA VAL A 17 0.406 0.060 -10.393 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.662 2.248 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.190 0.421 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.285 0.743 -9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.373 -0.663 -9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.017 0.766 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.751 -0.351 -7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.429 1.280 -7.667 1.00 0.00 H new ATOM 257 N GLN A 18 -0.292 3.121 -11.324 1.00 0.00 N ATOM 258 CA GLN A 18 -1.080 3.886 -12.306 1.00 0.00 C ATOM 259 C GLN A 18 -0.925 3.318 -13.721 1.00 0.00 C ATOM 260 O GLN A 18 -1.797 3.484 -14.551 1.00 0.00 O ATOM 261 CB GLN A 18 -0.597 5.302 -12.179 1.00 0.00 C ATOM 262 CG GLN A 18 0.892 5.498 -12.595 1.00 0.00 C ATOM 263 CD GLN A 18 1.373 6.819 -12.002 1.00 0.00 C ATOM 264 OE1 GLN A 18 1.064 7.065 -10.768 1.00 0.00 O flip ATOM 265 NE2 GLN A 18 2.025 7.634 -12.615 1.00 0.00 N flip ATOM 0 H GLN A 18 0.430 3.652 -10.837 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.151 3.826 -12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.224 5.947 -12.795 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.722 5.627 -11.146 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.502 4.671 -12.231 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.987 5.510 -13.681 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.278 7.458 -13.587 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.322 8.497 -12.159 1.00 0.00 H new ATOM 274 N GLY A 19 0.177 2.658 -13.970 1.00 0.00 N ATOM 275 CA GLY A 19 0.427 2.060 -15.323 1.00 0.00 C ATOM 276 C GLY A 19 1.503 2.840 -16.071 1.00 0.00 C ATOM 277 O GLY A 19 1.453 2.978 -17.273 1.00 0.00 O ATOM 0 H GLY A 19 0.922 2.505 -13.291 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.735 1.020 -15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.497 2.060 -15.902 1.00 0.00 H new ATOM 281 N GLY A 20 2.467 3.336 -15.347 1.00 0.00 N ATOM 282 CA GLY A 20 3.574 4.121 -15.975 1.00 0.00 C ATOM 283 C GLY A 20 4.912 3.709 -15.356 1.00 0.00 C ATOM 284 O GLY A 20 4.990 2.694 -14.689 1.00 0.00 O ATOM 0 H GLY A 20 2.538 3.231 -14.335 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.591 3.948 -17.051 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.406 5.188 -15.827 1.00 0.00 H new ATOM 288 N PRO A 21 5.940 4.496 -15.582 1.00 0.00 N ATOM 289 CA PRO A 21 7.277 4.197 -15.003 1.00 0.00 C ATOM 290 C PRO A 21 7.251 4.431 -13.482 1.00 0.00 C ATOM 291 O PRO A 21 6.634 5.364 -13.006 1.00 0.00 O ATOM 292 CB PRO A 21 8.213 5.134 -15.767 1.00 0.00 C ATOM 293 CG PRO A 21 7.302 6.374 -15.995 1.00 0.00 C ATOM 294 CD PRO A 21 5.947 5.745 -16.398 1.00 0.00 C ATOM 0 HA PRO A 21 7.602 3.162 -15.109 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.104 5.382 -15.190 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.552 4.697 -16.706 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.213 6.980 -15.093 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.694 7.023 -16.778 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.106 6.396 -16.158 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.894 5.536 -17.467 1.00 0.00 H new ATOM 302 N GLY A 22 7.925 3.594 -12.738 1.00 0.00 N ATOM 303 CA GLY A 22 7.941 3.757 -11.261 1.00 0.00 C ATOM 304 C GLY A 22 8.330 2.421 -10.617 1.00 0.00 C ATOM 305 O GLY A 22 8.954 1.608 -11.264 1.00 0.00 O ATOM 0 H GLY A 22 8.465 2.805 -13.093 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.650 4.534 -10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.961 4.075 -10.906 1.00 0.00 H new ATOM 309 N PRO A 23 7.956 2.230 -9.373 1.00 0.00 N ATOM 310 CA PRO A 23 7.209 3.221 -8.567 1.00 0.00 C ATOM 311 C PRO A 23 8.037 4.466 -8.229 1.00 0.00 C ATOM 312 O PRO A 23 7.736 5.555 -8.675 1.00 0.00 O ATOM 313 CB PRO A 23 6.780 2.434 -7.343 1.00 0.00 C ATOM 314 CG PRO A 23 7.908 1.382 -7.173 1.00 0.00 C ATOM 315 CD PRO A 23 8.220 0.995 -8.624 1.00 0.00 C ATOM 0 HA PRO A 23 6.359 3.641 -9.105 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.693 3.074 -6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.809 1.961 -7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.779 1.799 -6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.579 0.525 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.254 0.669 -8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.588 0.176 -8.966 1.00 0.00 H new ATOM 323 N SER A 24 9.074 4.269 -7.464 1.00 0.00 N ATOM 324 CA SER A 24 9.960 5.400 -7.040 1.00 0.00 C ATOM 325 C SER A 24 11.047 4.866 -6.126 1.00 0.00 C ATOM 326 O SER A 24 10.982 3.735 -5.675 1.00 0.00 O ATOM 327 CB SER A 24 9.103 6.426 -6.275 1.00 0.00 C ATOM 328 OG SER A 24 8.468 5.593 -5.305 1.00 0.00 O ATOM 0 H SER A 24 9.354 3.356 -7.106 1.00 0.00 H new ATOM 0 HA SER A 24 10.420 5.870 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.709 7.205 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.383 6.925 -6.923 1.00 0.00 H new ATOM 0 HG SER A 24 7.519 5.495 -5.529 1.00 0.00 H new ATOM 334 N GLY A 25 12.022 5.689 -5.866 1.00 0.00 N ATOM 335 CA GLY A 25 13.125 5.260 -4.962 1.00 0.00 C ATOM 336 C GLY A 25 12.575 5.350 -3.527 1.00 0.00 C ATOM 337 O GLY A 25 13.263 4.987 -2.596 1.00 0.00 O ATOM 0 H GLY A 25 12.104 6.635 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.442 4.243 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.998 5.901 -5.084 1.00 0.00 H new ATOM 341 N GLN A 26 11.355 5.826 -3.379 1.00 0.00 N ATOM 342 CA GLN A 26 10.771 5.932 -1.997 1.00 0.00 C ATOM 343 C GLN A 26 9.713 4.839 -1.796 1.00 0.00 C ATOM 344 O GLN A 26 9.294 4.611 -0.683 1.00 0.00 O ATOM 345 CB GLN A 26 10.123 7.316 -1.784 1.00 0.00 C ATOM 346 CG GLN A 26 11.248 8.357 -1.621 1.00 0.00 C ATOM 347 CD GLN A 26 10.656 9.666 -1.106 1.00 0.00 C ATOM 348 OE1 GLN A 26 10.063 9.736 -0.052 1.00 0.00 O ATOM 349 NE2 GLN A 26 10.777 10.757 -1.793 1.00 0.00 N ATOM 0 H GLN A 26 10.750 6.139 -4.138 1.00 0.00 H new ATOM 0 HA GLN A 26 11.575 5.805 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.488 7.573 -2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.485 7.305 -0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.002 7.988 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.747 8.522 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.269 10.745 -2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.381 11.628 -1.441 1.00 0.00 H new ATOM 358 N CYS A 27 9.313 4.173 -2.844 1.00 0.00 N ATOM 359 CA CYS A 27 8.292 3.093 -2.681 1.00 0.00 C ATOM 360 C CYS A 27 8.854 1.977 -1.794 1.00 0.00 C ATOM 361 O CYS A 27 8.206 1.537 -0.870 1.00 0.00 O ATOM 362 CB CYS A 27 7.928 2.564 -4.072 1.00 0.00 C ATOM 363 SG CYS A 27 6.765 1.176 -4.153 1.00 0.00 S ATOM 0 H CYS A 27 9.643 4.325 -3.797 1.00 0.00 H new ATOM 0 HA CYS A 27 7.395 3.481 -2.197 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.510 3.389 -4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.849 2.262 -4.570 1.00 0.00 H new ATOM 368 N CYS A 28 10.071 1.575 -2.044 1.00 0.00 N ATOM 369 CA CYS A 28 10.657 0.479 -1.216 1.00 0.00 C ATOM 370 C CYS A 28 11.211 0.917 0.125 1.00 0.00 C ATOM 371 O CYS A 28 11.323 0.124 1.033 1.00 0.00 O ATOM 372 CB CYS A 28 11.723 -0.191 -2.068 1.00 0.00 C ATOM 373 SG CYS A 28 10.939 -1.263 -3.287 1.00 0.00 S ATOM 0 H CYS A 28 10.677 1.950 -2.773 1.00 0.00 H new ATOM 0 HA CYS A 28 9.858 -0.211 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.329 0.564 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.395 -0.772 -1.437 1.00 0.00 H new ATOM 378 N ASP A 29 11.535 2.163 0.243 1.00 0.00 N ATOM 379 CA ASP A 29 12.083 2.692 1.520 1.00 0.00 C ATOM 380 C ASP A 29 10.893 3.133 2.376 1.00 0.00 C ATOM 381 O ASP A 29 10.791 2.762 3.529 1.00 0.00 O ATOM 382 CB ASP A 29 12.986 3.880 1.170 1.00 0.00 C ATOM 383 CG ASP A 29 13.657 4.343 2.446 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.625 3.691 2.783 1.00 0.00 O ATOM 385 OD2 ASP A 29 13.162 5.301 3.010 1.00 0.00 O ATOM 0 H ASP A 29 11.444 2.854 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 29 12.665 1.953 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.732 3.588 0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.401 4.688 0.731 1.00 0.00 H new ATOM 390 N GLY A 30 10.007 3.869 1.774 1.00 0.00 N ATOM 391 CA GLY A 30 8.802 4.376 2.489 1.00 0.00 C ATOM 392 C GLY A 30 7.883 3.240 2.944 1.00 0.00 C ATOM 393 O GLY A 30 7.473 3.172 4.094 1.00 0.00 O ATOM 0 H GLY A 30 10.066 4.148 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.114 4.959 3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.249 5.049 1.834 1.00 0.00 H new ATOM 397 N VAL A 31 7.606 2.319 2.060 1.00 0.00 N ATOM 398 CA VAL A 31 6.700 1.192 2.431 1.00 0.00 C ATOM 399 C VAL A 31 7.379 0.147 3.323 1.00 0.00 C ATOM 400 O VAL A 31 6.742 -0.337 4.245 1.00 0.00 O ATOM 401 CB VAL A 31 6.191 0.635 1.072 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.363 -0.621 1.166 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.346 1.706 0.422 1.00 0.00 C ATOM 0 H VAL A 31 7.964 2.297 1.105 1.00 0.00 H new ATOM 0 HA VAL A 31 5.868 1.521 3.054 1.00 0.00 H new ATOM 0 HB VAL A 31 7.078 0.370 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.056 -0.930 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.954 -1.413 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.479 -0.429 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.973 1.344 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.504 1.949 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.950 2.599 0.262 1.00 0.00 H new ATOM 413 N LYS A 32 8.625 -0.167 3.051 1.00 0.00 N ATOM 414 CA LYS A 32 9.333 -1.178 3.884 1.00 0.00 C ATOM 415 C LYS A 32 9.328 -0.665 5.325 1.00 0.00 C ATOM 416 O LYS A 32 9.031 -1.396 6.255 1.00 0.00 O ATOM 417 CB LYS A 32 10.734 -1.296 3.340 1.00 0.00 C ATOM 418 CG LYS A 32 11.508 -2.443 3.965 1.00 0.00 C ATOM 419 CD LYS A 32 12.908 -2.397 3.326 1.00 0.00 C ATOM 420 CE LYS A 32 13.584 -3.755 3.441 1.00 0.00 C ATOM 421 NZ LYS A 32 14.925 -3.672 2.793 1.00 0.00 N ATOM 0 H LYS A 32 9.175 0.234 2.291 1.00 0.00 H new ATOM 0 HA LYS A 32 8.860 -2.160 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.690 -1.438 2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.268 -0.363 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.568 -2.331 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.019 -3.398 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.828 -2.110 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.515 -1.638 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.686 -4.040 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.977 -4.522 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.402 -4.594 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.811 -3.416 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.498 -2.949 3.272 1.00 0.00 H new ATOM 435 N ASN A 33 9.631 0.601 5.471 1.00 0.00 N ATOM 436 CA ASN A 33 9.661 1.213 6.832 1.00 0.00 C ATOM 437 C ASN A 33 8.287 1.129 7.496 1.00 0.00 C ATOM 438 O ASN A 33 8.142 0.562 8.561 1.00 0.00 O ATOM 439 CB ASN A 33 10.145 2.683 6.660 1.00 0.00 C ATOM 440 CG ASN A 33 11.691 2.694 6.623 1.00 0.00 C ATOM 441 OD1 ASN A 33 12.337 2.258 7.553 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.345 3.168 5.602 1.00 0.00 N ATOM 0 H ASN A 33 9.859 1.236 4.706 1.00 0.00 H new ATOM 0 HA ASN A 33 10.343 0.676 7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.742 3.109 5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.782 3.299 7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.365 3.164 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.837 3.543 4.801 1.00 0.00 H new ATOM 449 N LEU A 34 7.284 1.673 6.861 1.00 0.00 N ATOM 450 CA LEU A 34 5.901 1.634 7.437 1.00 0.00 C ATOM 451 C LEU A 34 5.532 0.204 7.825 1.00 0.00 C ATOM 452 O LEU A 34 5.199 -0.069 8.955 1.00 0.00 O ATOM 453 CB LEU A 34 4.872 2.098 6.410 1.00 0.00 C ATOM 454 CG LEU A 34 3.456 2.079 7.058 1.00 0.00 C ATOM 455 CD1 LEU A 34 3.187 3.387 7.763 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.429 1.748 6.006 1.00 0.00 C ATOM 0 H LEU A 34 7.360 2.147 5.961 1.00 0.00 H new ATOM 0 HA LEU A 34 5.894 2.291 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.113 3.103 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.894 1.447 5.536 1.00 0.00 H new ATOM 0 HG LEU A 34 3.398 1.303 7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.194 3.361 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.933 3.541 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.239 4.205 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.437 1.734 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.459 2.501 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.647 0.769 5.580 1.00 0.00 H new ATOM 468 N HIS A 35 5.608 -0.689 6.876 1.00 0.00 N ATOM 469 CA HIS A 35 5.263 -2.123 7.145 1.00 0.00 C ATOM 470 C HIS A 35 5.989 -2.634 8.398 1.00 0.00 C ATOM 471 O HIS A 35 5.386 -3.154 9.320 1.00 0.00 O ATOM 472 CB HIS A 35 5.651 -2.927 5.907 1.00 0.00 C ATOM 473 CG HIS A 35 5.286 -4.396 6.121 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.882 -5.209 6.927 1.00 0.00 N ATOM 475 CD2 HIS A 35 4.291 -5.158 5.545 1.00 0.00 C ATOM 476 CE1 HIS A 35 5.320 -6.375 6.869 1.00 0.00 C ATOM 477 NE2 HIS A 35 4.322 -6.388 6.019 1.00 0.00 N ATOM 0 H HIS A 35 5.896 -0.490 5.918 1.00 0.00 H new ATOM 0 HA HIS A 35 4.196 -2.231 7.340 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.135 -2.537 5.030 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.720 -2.830 5.717 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.586 -4.798 4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.635 -7.230 7.449 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.711 -7.169 5.780 1.00 0.00 H new ATOM 485 N ASN A 36 7.283 -2.467 8.379 1.00 0.00 N ATOM 486 CA ASN A 36 8.149 -2.901 9.526 1.00 0.00 C ATOM 487 C ASN A 36 7.630 -2.272 10.832 1.00 0.00 C ATOM 488 O ASN A 36 7.570 -2.913 11.865 1.00 0.00 O ATOM 489 CB ASN A 36 9.579 -2.421 9.244 1.00 0.00 C ATOM 490 CG ASN A 36 10.590 -3.011 10.226 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.490 -2.891 11.428 1.00 0.00 O ATOM 492 ND2 ASN A 36 11.606 -3.664 9.753 1.00 0.00 N ATOM 0 H ASN A 36 7.791 -2.040 7.604 1.00 0.00 H new ATOM 0 HA ASN A 36 8.130 -3.986 9.633 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.859 -2.697 8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.613 -1.333 9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.297 -4.062 10.389 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.714 -3.779 8.745 1.00 0.00 H new ATOM 499 N GLN A 37 7.278 -1.017 10.736 1.00 0.00 N ATOM 500 CA GLN A 37 6.753 -0.253 11.909 1.00 0.00 C ATOM 501 C GLN A 37 5.392 -0.783 12.375 1.00 0.00 C ATOM 502 O GLN A 37 5.126 -0.892 13.559 1.00 0.00 O ATOM 503 CB GLN A 37 6.690 1.231 11.453 1.00 0.00 C ATOM 504 CG GLN A 37 5.730 2.072 12.324 1.00 0.00 C ATOM 505 CD GLN A 37 5.816 3.559 11.959 1.00 0.00 C ATOM 506 OE1 GLN A 37 6.515 3.949 10.935 1.00 0.00 O flip ATOM 507 NE2 GLN A 37 5.238 4.399 12.618 1.00 0.00 N flip ATOM 0 H GLN A 37 7.333 -0.476 9.873 1.00 0.00 H new ATOM 0 HA GLN A 37 7.401 -0.363 12.778 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.689 1.664 11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.367 1.276 10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.708 1.719 12.189 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.977 1.938 13.377 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.683 4.120 13.427 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.308 5.384 12.363 1.00 0.00 H new ATOM 516 N ALA A 38 4.568 -1.107 11.426 1.00 0.00 N ATOM 517 CA ALA A 38 3.200 -1.637 11.715 1.00 0.00 C ATOM 518 C ALA A 38 3.250 -3.075 12.263 1.00 0.00 C ATOM 519 O ALA A 38 2.997 -4.032 11.551 1.00 0.00 O ATOM 520 CB ALA A 38 2.442 -1.564 10.410 1.00 0.00 C ATOM 0 H ALA A 38 4.786 -1.027 10.433 1.00 0.00 H new ATOM 0 HA ALA A 38 2.707 -1.050 12.490 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.429 -1.939 10.556 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.400 -0.529 10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.949 -2.171 9.660 1.00 0.00 H new ATOM 526 N ARG A 39 3.565 -3.193 13.521 1.00 0.00 N ATOM 527 CA ARG A 39 3.662 -4.532 14.183 1.00 0.00 C ATOM 528 C ARG A 39 2.326 -4.932 14.843 1.00 0.00 C ATOM 529 O ARG A 39 2.142 -6.079 15.195 1.00 0.00 O ATOM 530 CB ARG A 39 4.825 -4.343 15.177 1.00 0.00 C ATOM 531 CG ARG A 39 5.434 -5.646 15.738 1.00 0.00 C ATOM 532 CD ARG A 39 6.693 -5.266 16.578 1.00 0.00 C ATOM 533 NE ARG A 39 7.725 -4.695 15.644 1.00 0.00 N ATOM 534 CZ ARG A 39 8.890 -4.295 16.083 1.00 0.00 C ATOM 535 NH1 ARG A 39 9.700 -5.189 16.569 1.00 0.00 N ATOM 536 NH2 ARG A 39 9.174 -3.029 16.009 1.00 0.00 N ATOM 0 H ARG A 39 3.764 -2.403 14.135 1.00 0.00 H new ATOM 0 HA ARG A 39 3.854 -5.357 13.497 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.614 -3.776 14.683 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.472 -3.738 16.012 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.707 -6.171 16.357 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.707 -6.320 14.926 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.432 -4.539 17.347 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.088 -6.144 17.090 1.00 0.00 H new ATOM 0 HE ARG A 39 7.512 -4.618 14.649 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.419 -6.169 16.599 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.616 -4.910 16.920 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.496 -2.376 15.616 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.075 -2.688 16.344 1.00 0.00 H new ATOM 550 N SER A 40 1.448 -3.977 14.990 1.00 0.00 N ATOM 551 CA SER A 40 0.114 -4.227 15.628 1.00 0.00 C ATOM 552 C SER A 40 -0.999 -4.277 14.569 1.00 0.00 C ATOM 553 O SER A 40 -0.866 -3.756 13.476 1.00 0.00 O ATOM 554 CB SER A 40 -0.197 -3.076 16.598 1.00 0.00 C ATOM 555 OG SER A 40 -0.424 -1.953 15.734 1.00 0.00 O ATOM 0 H SER A 40 1.598 -3.014 14.690 1.00 0.00 H new ATOM 0 HA SER A 40 0.154 -5.183 16.151 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.073 -3.294 17.210 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.632 -2.894 17.282 1.00 0.00 H new ATOM 0 HG SER A 40 -0.634 -1.162 16.274 1.00 0.00 H new ATOM 561 N GLN A 41 -2.108 -4.894 14.893 1.00 0.00 N ATOM 562 CA GLN A 41 -3.230 -4.964 13.898 1.00 0.00 C ATOM 563 C GLN A 41 -3.652 -3.512 13.589 1.00 0.00 C ATOM 564 O GLN A 41 -3.964 -3.183 12.467 1.00 0.00 O ATOM 565 CB GLN A 41 -4.429 -5.788 14.510 1.00 0.00 C ATOM 566 CG GLN A 41 -5.366 -6.347 13.382 1.00 0.00 C ATOM 567 CD GLN A 41 -6.509 -7.196 13.975 1.00 0.00 C ATOM 568 OE1 GLN A 41 -6.335 -8.029 14.837 1.00 0.00 O ATOM 569 NE2 GLN A 41 -7.732 -7.053 13.564 1.00 0.00 N ATOM 0 H GLN A 41 -2.287 -5.347 15.789 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.922 -5.466 12.981 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.040 -6.614 15.106 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.005 -5.153 15.183 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.784 -5.519 12.810 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.783 -6.952 12.688 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.950 -6.369 12.840 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.475 -7.625 13.966 1.00 0.00 H new ATOM 578 N SER A 42 -3.645 -2.668 14.580 1.00 0.00 N ATOM 579 CA SER A 42 -4.031 -1.241 14.401 1.00 0.00 C ATOM 580 C SER A 42 -3.239 -0.583 13.263 1.00 0.00 C ATOM 581 O SER A 42 -3.811 -0.017 12.351 1.00 0.00 O ATOM 582 CB SER A 42 -3.751 -0.503 15.725 1.00 0.00 C ATOM 583 OG SER A 42 -4.009 -1.471 16.740 1.00 0.00 O ATOM 0 H SER A 42 -3.380 -2.915 15.534 1.00 0.00 H new ATOM 0 HA SER A 42 -5.087 -1.185 14.139 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.722 -0.147 15.770 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.395 0.369 15.836 1.00 0.00 H new ATOM 0 HG SER A 42 -3.849 -1.072 17.621 1.00 0.00 H new ATOM 589 N ASP A 43 -1.933 -0.666 13.341 1.00 0.00 N ATOM 590 CA ASP A 43 -1.105 -0.031 12.265 1.00 0.00 C ATOM 591 C ASP A 43 -1.371 -0.721 10.916 1.00 0.00 C ATOM 592 O ASP A 43 -1.347 -0.108 9.864 1.00 0.00 O ATOM 593 CB ASP A 43 0.363 -0.146 12.602 1.00 0.00 C ATOM 594 CG ASP A 43 1.152 0.953 11.841 1.00 0.00 C ATOM 595 OD1 ASP A 43 0.784 1.392 10.759 1.00 0.00 O ATOM 596 OD2 ASP A 43 2.150 1.300 12.439 1.00 0.00 O ATOM 0 H ASP A 43 -1.413 -1.134 14.084 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.379 1.022 12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.511 -0.038 13.677 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.735 -1.133 12.327 1.00 0.00 H new ATOM 601 N ARG A 44 -1.679 -1.979 10.962 1.00 0.00 N ATOM 602 CA ARG A 44 -1.947 -2.739 9.702 1.00 0.00 C ATOM 603 C ARG A 44 -3.319 -2.390 9.119 1.00 0.00 C ATOM 604 O ARG A 44 -3.488 -2.312 7.919 1.00 0.00 O ATOM 605 CB ARG A 44 -1.844 -4.261 10.035 1.00 0.00 C ATOM 606 CG ARG A 44 -0.339 -4.593 10.198 1.00 0.00 C ATOM 607 CD ARG A 44 -0.057 -5.926 10.962 1.00 0.00 C ATOM 608 NE ARG A 44 0.450 -6.953 9.997 1.00 0.00 N ATOM 609 CZ ARG A 44 1.732 -7.036 9.786 1.00 0.00 C ATOM 610 NH1 ARG A 44 2.382 -5.924 9.557 1.00 0.00 N ATOM 611 NH2 ARG A 44 2.301 -8.207 9.821 1.00 0.00 N ATOM 0 H ARG A 44 -1.759 -2.525 11.820 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.214 -2.470 8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.390 -4.493 10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.286 -4.860 9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.118 -4.650 9.210 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.147 -3.774 10.728 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.676 -5.758 11.751 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.968 -6.282 11.444 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.197 -7.576 9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.883 -5.034 9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.387 -5.947 9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.743 -9.040 10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.304 -8.292 9.658 1.00 0.00 H new ATOM 625 N GLN A 45 -4.281 -2.194 9.974 1.00 0.00 N ATOM 626 CA GLN A 45 -5.653 -1.850 9.491 1.00 0.00 C ATOM 627 C GLN A 45 -5.691 -0.375 9.075 1.00 0.00 C ATOM 628 O GLN A 45 -6.349 -0.035 8.111 1.00 0.00 O ATOM 629 CB GLN A 45 -6.673 -2.124 10.631 1.00 0.00 C ATOM 630 CG GLN A 45 -7.888 -2.864 10.012 1.00 0.00 C ATOM 631 CD GLN A 45 -8.968 -3.132 11.061 1.00 0.00 C ATOM 632 OE1 GLN A 45 -10.095 -2.699 10.942 1.00 0.00 O ATOM 633 NE2 GLN A 45 -8.688 -3.844 12.110 1.00 0.00 N ATOM 0 H GLN A 45 -4.181 -2.256 10.987 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.914 -2.461 8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.217 -2.728 11.415 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.990 -1.189 11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.306 -2.267 9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.559 -3.807 9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.748 -4.220 12.235 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.408 -4.027 12.809 1.00 0.00 H new ATOM 642 N SER A 46 -4.976 0.461 9.782 1.00 0.00 N ATOM 643 CA SER A 46 -4.987 1.919 9.413 1.00 0.00 C ATOM 644 C SER A 46 -4.363 2.146 8.031 1.00 0.00 C ATOM 645 O SER A 46 -4.967 2.702 7.128 1.00 0.00 O ATOM 646 CB SER A 46 -4.200 2.692 10.456 1.00 0.00 C ATOM 647 OG SER A 46 -4.917 2.419 11.649 1.00 0.00 O ATOM 0 H SER A 46 -4.395 0.211 10.582 1.00 0.00 H new ATOM 0 HA SER A 46 -6.020 2.265 9.379 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.166 2.352 10.518 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.172 3.759 10.235 1.00 0.00 H new ATOM 0 HG SER A 46 -4.611 1.568 12.027 1.00 0.00 H new ATOM 653 N ALA A 47 -3.151 1.683 7.883 1.00 0.00 N ATOM 654 CA ALA A 47 -2.462 1.862 6.575 1.00 0.00 C ATOM 655 C ALA A 47 -3.288 1.235 5.450 1.00 0.00 C ATOM 656 O ALA A 47 -3.320 1.750 4.353 1.00 0.00 O ATOM 657 CB ALA A 47 -1.105 1.232 6.750 1.00 0.00 C ATOM 0 H ALA A 47 -2.615 1.195 8.601 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.350 2.908 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.538 1.326 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.571 1.737 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.223 0.177 6.998 1.00 0.00 H new ATOM 663 N CYS A 48 -3.950 0.145 5.721 1.00 0.00 N ATOM 664 CA CYS A 48 -4.779 -0.497 4.653 1.00 0.00 C ATOM 665 C CYS A 48 -5.822 0.523 4.135 1.00 0.00 C ATOM 666 O CYS A 48 -6.014 0.682 2.938 1.00 0.00 O ATOM 667 CB CYS A 48 -5.426 -1.735 5.267 1.00 0.00 C ATOM 668 SG CYS A 48 -5.878 -3.039 4.102 1.00 0.00 S ATOM 0 H CYS A 48 -3.956 -0.328 6.625 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.181 -0.801 3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.741 -2.153 6.004 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.323 -1.426 5.804 1.00 0.00 H new ATOM 673 N ASN A 49 -6.469 1.205 5.054 1.00 0.00 N ATOM 674 CA ASN A 49 -7.497 2.227 4.655 1.00 0.00 C ATOM 675 C ASN A 49 -6.891 3.220 3.675 1.00 0.00 C ATOM 676 O ASN A 49 -7.533 3.528 2.699 1.00 0.00 O ATOM 677 CB ASN A 49 -7.997 3.039 5.850 1.00 0.00 C ATOM 678 CG ASN A 49 -8.742 2.163 6.799 1.00 0.00 C ATOM 679 OD1 ASN A 49 -8.336 2.112 8.016 1.00 0.00 O flip ATOM 680 ND2 ASN A 49 -9.706 1.512 6.458 1.00 0.00 N flip ATOM 0 H ASN A 49 -6.331 1.100 6.059 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.326 1.674 4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.153 3.504 6.360 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.644 3.845 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.031 1.550 5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.192 0.926 7.137 1.00 0.00 H new ATOM 687 N CYS A 50 -5.701 3.674 3.967 1.00 0.00 N ATOM 688 CA CYS A 50 -5.013 4.656 3.068 1.00 0.00 C ATOM 689 C CYS A 50 -5.007 4.182 1.607 1.00 0.00 C ATOM 690 O CYS A 50 -5.392 4.896 0.700 1.00 0.00 O ATOM 691 CB CYS A 50 -3.568 4.852 3.549 1.00 0.00 C ATOM 692 SG CYS A 50 -3.304 5.708 5.116 1.00 0.00 S ATOM 0 H CYS A 50 -5.169 3.406 4.795 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.560 5.598 3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.105 3.868 3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.030 5.399 2.775 1.00 0.00 H new ATOM 697 N LEU A 51 -4.590 2.960 1.399 1.00 0.00 N ATOM 698 CA LEU A 51 -4.543 2.421 -0.003 1.00 0.00 C ATOM 699 C LEU A 51 -5.967 2.274 -0.569 1.00 0.00 C ATOM 700 O LEU A 51 -6.240 2.695 -1.684 1.00 0.00 O ATOM 701 CB LEU A 51 -3.854 1.024 -0.046 1.00 0.00 C ATOM 702 CG LEU A 51 -2.332 1.045 0.336 1.00 0.00 C ATOM 703 CD1 LEU A 51 -2.121 1.341 1.800 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.737 -0.309 0.034 1.00 0.00 C ATOM 0 H LEU A 51 -4.282 2.315 2.126 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.969 3.128 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.378 0.352 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.960 0.610 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.852 1.832 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.053 1.346 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.545 2.316 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.612 0.575 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.679 -0.308 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.254 -1.072 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.848 -0.527 -1.028 1.00 0.00 H new ATOM 716 N LYS A 52 -6.845 1.694 0.216 1.00 0.00 N ATOM 717 CA LYS A 52 -8.266 1.498 -0.234 1.00 0.00 C ATOM 718 C LYS A 52 -8.904 2.849 -0.577 1.00 0.00 C ATOM 719 O LYS A 52 -9.409 3.033 -1.671 1.00 0.00 O ATOM 720 CB LYS A 52 -9.153 0.824 0.900 1.00 0.00 C ATOM 721 CG LYS A 52 -9.092 -0.756 0.900 1.00 0.00 C ATOM 722 CD LYS A 52 -10.273 -1.314 1.791 1.00 0.00 C ATOM 723 CE LYS A 52 -10.393 -2.885 1.736 1.00 0.00 C ATOM 724 NZ LYS A 52 -11.685 -3.358 2.362 1.00 0.00 N ATOM 0 H LYS A 52 -6.640 1.346 1.153 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.234 0.847 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.824 1.191 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.189 1.139 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.176 -1.136 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.133 -1.096 1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.121 -1.002 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.212 -0.871 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.344 -3.220 0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.548 -3.335 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.529 -4.273 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.007 -2.660 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.409 -3.467 1.623 1.00 0.00 H new ATOM 738 N GLY A 53 -8.856 3.756 0.357 1.00 0.00 N ATOM 739 CA GLY A 53 -9.434 5.121 0.188 1.00 0.00 C ATOM 740 C GLY A 53 -8.955 5.750 -1.113 1.00 0.00 C ATOM 741 O GLY A 53 -9.715 6.387 -1.817 1.00 0.00 O ATOM 0 H GLY A 53 -8.423 3.601 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.522 5.064 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.146 5.750 1.030 1.00 0.00 H new ATOM 745 N ILE A 54 -7.701 5.553 -1.403 1.00 0.00 N ATOM 746 CA ILE A 54 -7.113 6.119 -2.651 1.00 0.00 C ATOM 747 C ILE A 54 -7.661 5.430 -3.907 1.00 0.00 C ATOM 748 O ILE A 54 -8.298 6.061 -4.728 1.00 0.00 O ATOM 749 CB ILE A 54 -5.572 5.966 -2.473 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.095 7.035 -1.434 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.858 6.091 -3.795 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.600 6.856 -1.029 1.00 0.00 C ATOM 0 H ILE A 54 -7.051 5.020 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.380 7.165 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.330 4.972 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.237 8.031 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.719 6.972 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.785 5.980 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.209 5.313 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.063 7.070 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.324 7.624 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.459 5.871 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.970 6.947 -1.914 1.00 0.00 H new ATOM 764 N ALA A 55 -7.406 4.157 -4.033 1.00 0.00 N ATOM 765 CA ALA A 55 -7.888 3.378 -5.216 1.00 0.00 C ATOM 766 C ALA A 55 -9.357 3.709 -5.509 1.00 0.00 C ATOM 767 O ALA A 55 -9.733 3.893 -6.645 1.00 0.00 O ATOM 768 CB ALA A 55 -7.739 1.913 -4.898 1.00 0.00 C ATOM 0 H ALA A 55 -6.874 3.611 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.303 3.635 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.084 1.320 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.691 1.688 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.334 1.669 -4.018 1.00 0.00 H new ATOM 774 N ARG A 56 -10.127 3.781 -4.462 1.00 0.00 N ATOM 775 CA ARG A 56 -11.583 4.096 -4.555 1.00 0.00 C ATOM 776 C ARG A 56 -11.885 5.363 -5.381 1.00 0.00 C ATOM 777 O ARG A 56 -12.943 5.470 -5.971 1.00 0.00 O ATOM 778 CB ARG A 56 -12.042 4.222 -3.088 1.00 0.00 C ATOM 779 CG ARG A 56 -13.495 4.680 -2.995 1.00 0.00 C ATOM 780 CD ARG A 56 -13.874 4.810 -1.509 1.00 0.00 C ATOM 781 NE ARG A 56 -15.334 5.118 -1.447 1.00 0.00 N ATOM 782 CZ ARG A 56 -16.166 4.171 -1.736 1.00 0.00 C ATOM 783 NH1 ARG A 56 -16.481 3.338 -0.793 1.00 0.00 N ATOM 784 NH2 ARG A 56 -16.608 4.131 -2.957 1.00 0.00 N ATOM 0 H ARG A 56 -9.796 3.629 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.125 3.318 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.929 3.261 -2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.401 4.932 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.624 5.636 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.150 3.964 -3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.653 3.886 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.294 5.600 -1.033 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.665 6.047 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.076 3.444 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.134 2.577 -0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.297 4.826 -3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.266 3.404 -3.238 1.00 0.00 H new ATOM 798 N GLY A 57 -10.960 6.283 -5.385 1.00 0.00 N ATOM 799 CA GLY A 57 -11.141 7.557 -6.143 1.00 0.00 C ATOM 800 C GLY A 57 -10.467 7.483 -7.516 1.00 0.00 C ATOM 801 O GLY A 57 -10.783 8.264 -8.394 1.00 0.00 O ATOM 0 H GLY A 57 -10.073 6.206 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.204 7.762 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.721 8.386 -5.573 1.00 0.00 H new ATOM 805 N ILE A 58 -9.552 6.566 -7.684 1.00 0.00 N ATOM 806 CA ILE A 58 -8.850 6.440 -9.007 1.00 0.00 C ATOM 807 C ILE A 58 -9.771 5.629 -9.942 1.00 0.00 C ATOM 808 O ILE A 58 -10.592 4.855 -9.494 1.00 0.00 O ATOM 809 CB ILE A 58 -7.495 5.677 -8.814 1.00 0.00 C ATOM 810 CG1 ILE A 58 -6.687 6.385 -7.687 1.00 0.00 C ATOM 811 CG2 ILE A 58 -6.686 5.629 -10.094 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.350 5.658 -7.416 1.00 0.00 C ATOM 0 H ILE A 58 -9.257 5.899 -6.970 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.639 7.423 -9.428 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.709 4.645 -8.537 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.491 7.419 -7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.280 6.413 -6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.755 5.091 -9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.259 5.117 -10.867 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.462 6.644 -10.421 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.808 6.176 -6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.550 4.632 -7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.748 5.653 -8.325 1.00 0.00 H new ATOM 824 N HIS A 59 -9.620 5.820 -11.226 1.00 0.00 N ATOM 825 CA HIS A 59 -10.475 5.068 -12.204 1.00 0.00 C ATOM 826 C HIS A 59 -9.616 4.108 -13.031 1.00 0.00 C ATOM 827 O HIS A 59 -9.964 2.954 -13.201 1.00 0.00 O ATOM 828 CB HIS A 59 -11.178 6.043 -13.166 1.00 0.00 C ATOM 829 CG HIS A 59 -12.188 5.285 -14.056 1.00 0.00 C ATOM 830 ND1 HIS A 59 -12.043 4.090 -14.540 1.00 0.00 N ATOM 831 CD2 HIS A 59 -13.425 5.688 -14.535 1.00 0.00 C ATOM 832 CE1 HIS A 59 -13.079 3.772 -15.250 1.00 0.00 C ATOM 833 NE2 HIS A 59 -13.962 4.738 -15.275 1.00 0.00 N ATOM 0 H HIS A 59 -8.945 6.461 -11.643 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.219 4.508 -11.637 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.694 6.817 -12.597 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.439 6.545 -13.790 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -11.233 3.490 -14.385 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.884 6.644 -14.331 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.199 2.827 -15.758 1.00 0.00 H new ATOM 841 N ASN A 60 -8.520 4.590 -13.551 1.00 0.00 N ATOM 842 CA ASN A 60 -7.628 3.714 -14.375 1.00 0.00 C ATOM 843 C ASN A 60 -6.546 3.123 -13.456 1.00 0.00 C ATOM 844 O ASN A 60 -5.429 3.603 -13.413 1.00 0.00 O ATOM 845 CB ASN A 60 -6.975 4.551 -15.481 1.00 0.00 C ATOM 846 CG ASN A 60 -6.164 3.600 -16.348 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.678 2.942 -17.222 1.00 0.00 O ATOM 848 ND2 ASN A 60 -4.892 3.471 -16.148 1.00 0.00 N ATOM 0 H ASN A 60 -8.201 5.553 -13.443 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.203 2.910 -14.834 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.733 5.061 -16.075 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.334 5.322 -15.052 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.348 2.826 -16.721 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.433 4.014 -15.417 1.00 0.00 H new ATOM 855 N LEU A 61 -6.916 2.099 -12.740 1.00 0.00 N ATOM 856 CA LEU A 61 -5.971 1.424 -11.797 1.00 0.00 C ATOM 857 C LEU A 61 -5.348 0.183 -12.475 1.00 0.00 C ATOM 858 O LEU A 61 -5.926 -0.384 -13.382 1.00 0.00 O ATOM 859 CB LEU A 61 -6.807 1.018 -10.558 1.00 0.00 C ATOM 860 CG LEU A 61 -6.209 1.529 -9.241 1.00 0.00 C ATOM 861 CD1 LEU A 61 -7.172 1.214 -8.124 1.00 0.00 C ATOM 862 CD2 LEU A 61 -4.923 0.800 -8.953 1.00 0.00 C ATOM 0 H LEU A 61 -7.851 1.691 -12.767 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.150 2.080 -11.509 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.820 1.406 -10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.885 -0.069 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.027 2.601 -9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.762 1.571 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.125 1.707 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.326 0.136 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.500 1.165 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.121 -0.269 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.216 0.976 -9.764 1.00 0.00 H new ATOM 874 N ASN A 62 -4.189 -0.227 -12.026 1.00 0.00 N ATOM 875 CA ASN A 62 -3.511 -1.421 -12.616 1.00 0.00 C ATOM 876 C ASN A 62 -3.209 -2.463 -11.506 1.00 0.00 C ATOM 877 O ASN A 62 -2.212 -2.356 -10.804 1.00 0.00 O ATOM 878 CB ASN A 62 -2.231 -0.899 -13.274 1.00 0.00 C ATOM 879 CG ASN A 62 -1.574 -1.979 -14.066 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.366 -3.046 -13.547 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.219 -1.779 -15.298 1.00 0.00 N ATOM 0 H ASN A 62 -3.677 0.221 -11.266 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.135 -1.928 -13.352 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.466 -0.056 -13.923 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.546 -0.532 -12.510 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.765 -2.525 -15.825 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.394 -0.876 -15.739 1.00 0.00 H new ATOM 888 N GLU A 63 -4.065 -3.441 -11.347 1.00 0.00 N ATOM 889 CA GLU A 63 -3.825 -4.481 -10.286 1.00 0.00 C ATOM 890 C GLU A 63 -2.480 -5.191 -10.536 1.00 0.00 C ATOM 891 O GLU A 63 -1.778 -5.524 -9.594 1.00 0.00 O ATOM 892 CB GLU A 63 -5.041 -5.496 -10.279 1.00 0.00 C ATOM 893 CG GLU A 63 -4.819 -6.635 -9.195 1.00 0.00 C ATOM 894 CD GLU A 63 -6.090 -7.148 -8.475 1.00 0.00 C ATOM 895 OE1 GLU A 63 -7.059 -6.414 -8.399 1.00 0.00 O ATOM 896 OE2 GLU A 63 -5.986 -8.278 -8.018 1.00 0.00 O ATOM 0 H GLU A 63 -4.914 -3.569 -11.898 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.763 -4.014 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.966 -4.961 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.152 -5.944 -11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.335 -7.482 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.125 -6.261 -8.442 1.00 0.00 H new ATOM 903 N ASP A 64 -2.153 -5.384 -11.781 1.00 0.00 N ATOM 904 CA ASP A 64 -0.876 -6.057 -12.147 1.00 0.00 C ATOM 905 C ASP A 64 0.315 -5.307 -11.524 1.00 0.00 C ATOM 906 O ASP A 64 1.187 -5.911 -10.934 1.00 0.00 O ATOM 907 CB ASP A 64 -0.865 -6.076 -13.683 1.00 0.00 C ATOM 908 CG ASP A 64 0.516 -6.411 -14.210 1.00 0.00 C ATOM 909 OD1 ASP A 64 0.876 -7.555 -13.984 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.093 -5.505 -14.793 1.00 0.00 O ATOM 0 H ASP A 64 -2.726 -5.099 -12.575 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.792 -7.074 -11.764 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.585 -6.809 -14.047 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.179 -5.104 -14.065 1.00 0.00 H new ATOM 915 N ASN A 65 0.340 -4.008 -11.640 1.00 0.00 N ATOM 916 CA ASN A 65 1.477 -3.230 -11.055 1.00 0.00 C ATOM 917 C ASN A 65 1.338 -3.163 -9.527 1.00 0.00 C ATOM 918 O ASN A 65 2.300 -3.402 -8.817 1.00 0.00 O ATOM 919 CB ASN A 65 1.481 -1.836 -11.700 1.00 0.00 C ATOM 920 CG ASN A 65 1.859 -1.962 -13.189 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.670 -2.772 -13.593 1.00 0.00 O ATOM 922 ND2 ASN A 65 1.289 -1.161 -14.039 1.00 0.00 N ATOM 0 H ASN A 65 -0.372 -3.451 -12.111 1.00 0.00 H new ATOM 0 HA ASN A 65 2.431 -3.715 -11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.499 -1.374 -11.601 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.191 -1.188 -11.187 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.524 -1.218 -15.030 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.606 -0.476 -13.715 1.00 0.00 H new ATOM 929 N ALA A 66 0.157 -2.853 -9.042 1.00 0.00 N ATOM 930 CA ALA A 66 -0.077 -2.779 -7.553 1.00 0.00 C ATOM 931 C ALA A 66 0.485 -4.040 -6.860 1.00 0.00 C ATOM 932 O ALA A 66 1.159 -3.974 -5.845 1.00 0.00 O ATOM 933 CB ALA A 66 -1.559 -2.706 -7.270 1.00 0.00 C ATOM 0 H ALA A 66 -0.662 -2.646 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 66 0.426 -1.890 -7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.722 -2.653 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.977 -1.818 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.050 -3.594 -7.668 1.00 0.00 H new ATOM 939 N ARG A 67 0.186 -5.169 -7.437 1.00 0.00 N ATOM 940 CA ARG A 67 0.653 -6.465 -6.885 1.00 0.00 C ATOM 941 C ARG A 67 2.152 -6.658 -7.189 1.00 0.00 C ATOM 942 O ARG A 67 2.832 -7.349 -6.448 1.00 0.00 O ATOM 943 CB ARG A 67 -0.291 -7.495 -7.543 1.00 0.00 C ATOM 944 CG ARG A 67 -0.024 -8.952 -7.111 1.00 0.00 C ATOM 945 CD ARG A 67 -1.367 -9.648 -6.700 1.00 0.00 C ATOM 946 NE ARG A 67 -2.370 -9.537 -7.820 1.00 0.00 N ATOM 947 CZ ARG A 67 -2.987 -10.577 -8.307 1.00 0.00 C ATOM 948 NH1 ARG A 67 -2.256 -11.618 -8.598 1.00 0.00 N ATOM 949 NH2 ARG A 67 -4.279 -10.506 -8.472 1.00 0.00 N ATOM 0 H ARG A 67 -0.374 -5.247 -8.286 1.00 0.00 H new ATOM 0 HA ARG A 67 0.602 -6.553 -5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.321 -7.237 -7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.193 -7.424 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.444 -9.501 -7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.674 -8.969 -6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.186 -10.697 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.765 -9.184 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.573 -8.617 -8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.248 -11.593 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.692 -12.456 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.779 -9.653 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.789 -11.304 -8.851 1.00 0.00 H new ATOM 963 N SER A 68 2.628 -6.026 -8.235 1.00 0.00 N ATOM 964 CA SER A 68 4.077 -6.178 -8.590 1.00 0.00 C ATOM 965 C SER A 68 5.021 -5.292 -7.766 1.00 0.00 C ATOM 966 O SER A 68 6.225 -5.394 -7.904 1.00 0.00 O ATOM 967 CB SER A 68 4.246 -5.898 -10.089 1.00 0.00 C ATOM 968 OG SER A 68 3.608 -7.039 -10.651 1.00 0.00 O ATOM 0 H SER A 68 2.086 -5.420 -8.851 1.00 0.00 H new ATOM 0 HA SER A 68 4.363 -7.202 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.767 -4.967 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.294 -5.826 -10.380 1.00 0.00 H new ATOM 0 HG SER A 68 2.748 -6.775 -11.040 1.00 0.00 H new ATOM 974 N ILE A 69 4.486 -4.456 -6.915 1.00 0.00 N ATOM 975 CA ILE A 69 5.341 -3.567 -6.056 1.00 0.00 C ATOM 976 C ILE A 69 6.100 -4.445 -5.007 1.00 0.00 C ATOM 977 O ILE A 69 7.321 -4.459 -5.001 1.00 0.00 O ATOM 978 CB ILE A 69 4.394 -2.520 -5.358 1.00 0.00 C ATOM 979 CG1 ILE A 69 3.806 -1.545 -6.385 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.143 -1.743 -4.301 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.592 -0.829 -5.751 1.00 0.00 C ATOM 0 H ILE A 69 3.482 -4.346 -6.773 1.00 0.00 H new ATOM 0 HA ILE A 69 6.087 -3.036 -6.647 1.00 0.00 H new ATOM 0 HB ILE A 69 3.581 -3.073 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.558 -0.817 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.501 -2.081 -7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.470 -1.025 -3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.524 -2.430 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.976 -1.212 -4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.164 -0.132 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.841 -1.567 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.914 -0.283 -4.865 1.00 0.00 H new ATOM 993 N PRO A 70 5.383 -5.160 -4.159 1.00 0.00 N ATOM 994 CA PRO A 70 6.032 -5.988 -3.111 1.00 0.00 C ATOM 995 C PRO A 70 7.063 -7.029 -3.584 1.00 0.00 C ATOM 996 O PRO A 70 8.111 -7.077 -2.965 1.00 0.00 O ATOM 997 CB PRO A 70 4.830 -6.600 -2.322 1.00 0.00 C ATOM 998 CG PRO A 70 3.636 -6.553 -3.300 1.00 0.00 C ATOM 999 CD PRO A 70 3.881 -5.259 -4.081 1.00 0.00 C ATOM 0 HA PRO A 70 6.683 -5.369 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.043 -7.622 -2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.621 -6.028 -1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.617 -7.423 -3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.683 -6.531 -2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.432 -5.300 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.450 -4.397 -3.571 1.00 0.00 H new ATOM 1007 N PRO A 71 6.796 -7.817 -4.610 1.00 0.00 N ATOM 1008 CA PRO A 71 7.772 -8.833 -5.091 1.00 0.00 C ATOM 1009 C PRO A 71 9.105 -8.227 -5.534 1.00 0.00 C ATOM 1010 O PRO A 71 10.141 -8.607 -5.027 1.00 0.00 O ATOM 1011 CB PRO A 71 7.036 -9.565 -6.227 1.00 0.00 C ATOM 1012 CG PRO A 71 6.049 -8.492 -6.741 1.00 0.00 C ATOM 1013 CD PRO A 71 5.559 -7.852 -5.439 1.00 0.00 C ATOM 0 HA PRO A 71 8.069 -9.515 -4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.722 -9.892 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.517 -10.453 -5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.538 -7.767 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.231 -8.931 -7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.154 -6.854 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.772 -8.441 -4.968 1.00 0.00 H new ATOM 1021 N LYS A 72 9.047 -7.297 -6.454 1.00 0.00 N ATOM 1022 CA LYS A 72 10.312 -6.668 -6.939 1.00 0.00 C ATOM 1023 C LYS A 72 11.092 -6.012 -5.811 1.00 0.00 C ATOM 1024 O LYS A 72 12.306 -5.997 -5.815 1.00 0.00 O ATOM 1025 CB LYS A 72 10.006 -5.610 -7.990 1.00 0.00 C ATOM 1026 CG LYS A 72 9.199 -4.423 -7.444 1.00 0.00 C ATOM 1027 CD LYS A 72 9.085 -3.402 -8.592 1.00 0.00 C ATOM 1028 CE LYS A 72 8.651 -2.044 -8.070 1.00 0.00 C ATOM 1029 NZ LYS A 72 9.616 -1.578 -7.024 1.00 0.00 N ATOM 0 H LYS A 72 8.190 -6.950 -6.885 1.00 0.00 H new ATOM 0 HA LYS A 72 10.918 -7.467 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.943 -5.241 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.452 -6.071 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.212 -4.745 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.696 -3.981 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.045 -3.311 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.367 -3.758 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.610 -1.325 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.647 -2.108 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.786 -0.558 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.219 -1.759 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.514 -2.093 -7.126 1.00 0.00 H new ATOM 1043 N CYS A 73 10.354 -5.474 -4.883 1.00 0.00 N ATOM 1044 CA CYS A 73 10.976 -4.794 -3.722 1.00 0.00 C ATOM 1045 C CYS A 73 11.605 -5.802 -2.742 1.00 0.00 C ATOM 1046 O CYS A 73 12.783 -5.723 -2.450 1.00 0.00 O ATOM 1047 CB CYS A 73 9.846 -4.006 -3.139 1.00 0.00 C ATOM 1048 SG CYS A 73 10.230 -2.659 -2.012 1.00 0.00 S ATOM 0 H CYS A 73 9.334 -5.478 -4.882 1.00 0.00 H new ATOM 0 HA CYS A 73 11.816 -4.152 -3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.270 -3.592 -3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.193 -4.702 -2.613 1.00 0.00 H new ATOM 1053 N GLY A 74 10.807 -6.713 -2.247 1.00 0.00 N ATOM 1054 CA GLY A 74 11.326 -7.739 -1.285 1.00 0.00 C ATOM 1055 C GLY A 74 10.804 -7.521 0.131 1.00 0.00 C ATOM 1056 O GLY A 74 11.415 -7.976 1.079 1.00 0.00 O ATOM 0 H GLY A 74 9.814 -6.793 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.038 -8.733 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.416 -7.708 -1.277 1.00 0.00 H new ATOM 1060 N VAL A 75 9.697 -6.832 0.247 1.00 0.00 N ATOM 1061 CA VAL A 75 9.112 -6.571 1.591 1.00 0.00 C ATOM 1062 C VAL A 75 7.818 -7.349 1.765 1.00 0.00 C ATOM 1063 O VAL A 75 7.501 -7.714 2.872 1.00 0.00 O ATOM 1064 CB VAL A 75 8.905 -5.035 1.697 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.145 -4.305 1.240 1.00 0.00 C ATOM 1066 CG2 VAL A 75 7.698 -4.531 0.941 1.00 0.00 C ATOM 0 H VAL A 75 9.174 -6.439 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 75 9.770 -6.907 2.392 1.00 0.00 H new ATOM 0 HB VAL A 75 8.717 -4.828 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.985 -3.230 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.989 -4.594 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.358 -4.564 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.618 -3.451 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.805 -4.771 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.799 -5.007 1.332 1.00 0.00 H new ATOM 1076 N ASN A 76 7.117 -7.589 0.689 1.00 0.00 N ATOM 1077 CA ASN A 76 5.830 -8.356 0.780 1.00 0.00 C ATOM 1078 C ASN A 76 4.783 -7.656 1.668 1.00 0.00 C ATOM 1079 O ASN A 76 4.775 -7.824 2.870 1.00 0.00 O ATOM 1080 CB ASN A 76 6.113 -9.736 1.369 1.00 0.00 C ATOM 1081 CG ASN A 76 4.852 -10.573 1.172 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.706 -11.270 0.191 1.00 0.00 O ATOM 1083 ND2 ASN A 76 3.918 -10.517 2.078 1.00 0.00 N ATOM 0 H ASN A 76 7.376 -7.289 -0.251 1.00 0.00 H new ATOM 0 HA ASN A 76 5.423 -8.425 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.965 -10.200 0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.364 -9.660 2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.062 -11.060 1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.042 -9.930 2.903 1.00 0.00 H new ATOM 1090 N LEU A 77 3.893 -6.903 1.088 1.00 0.00 N ATOM 1091 CA LEU A 77 2.864 -6.202 1.930 1.00 0.00 C ATOM 1092 C LEU A 77 1.637 -7.102 2.060 1.00 0.00 C ATOM 1093 O LEU A 77 1.471 -7.992 1.249 1.00 0.00 O ATOM 1094 CB LEU A 77 2.477 -4.857 1.235 1.00 0.00 C ATOM 1095 CG LEU A 77 2.799 -3.619 2.108 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.268 -3.517 2.450 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.402 -2.367 1.360 1.00 0.00 C ATOM 0 H LEU A 77 3.826 -6.739 0.084 1.00 0.00 H new ATOM 0 HA LEU A 77 3.260 -5.991 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.009 -4.776 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.412 -4.866 1.003 1.00 0.00 H new ATOM 0 HG LEU A 77 2.239 -3.727 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.438 -2.632 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.576 -4.405 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.851 -3.440 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.626 -1.492 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.959 -2.310 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.334 -2.395 1.145 1.00 0.00 H new ATOM 1109 N PRO A 78 0.809 -6.864 3.057 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.423 -7.652 3.223 1.00 0.00 C ATOM 1111 C PRO A 78 -1.569 -7.015 2.421 1.00 0.00 C ATOM 1112 O PRO A 78 -2.700 -7.443 2.539 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.592 -7.648 4.723 1.00 0.00 C ATOM 1114 CG PRO A 78 -0.211 -6.197 5.113 1.00 0.00 C ATOM 1115 CD PRO A 78 0.951 -5.851 4.148 1.00 0.00 C ATOM 0 HA PRO A 78 -0.401 -8.672 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.614 -7.889 5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.058 -8.379 5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.052 -5.515 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.101 -6.131 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.866 -4.834 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.920 -5.926 4.642 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.256 -6.008 1.637 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.296 -5.318 0.811 1.00 0.00 C ATOM 1125 C TYR A 79 -1.656 -4.381 -0.212 1.00 0.00 C ATOM 1126 O TYR A 79 -0.501 -4.037 -0.064 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.208 -4.499 1.767 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.437 -3.550 2.733 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.419 -2.695 2.337 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.774 -3.549 4.072 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -0.772 -1.888 3.228 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -2.118 -2.731 4.969 1.00 0.00 C ATOM 1133 CZ TYR A 79 -1.113 -1.899 4.541 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.401 -1.056 5.363 1.00 0.00 O ATOM 0 H TYR A 79 -0.313 -5.632 1.535 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.875 -6.063 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.901 -3.906 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.808 -5.190 2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.131 -2.667 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.563 -4.198 4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.017 -1.236 2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.396 -2.745 6.012 1.00 0.00 H new ATOM 0 HH TYR A 79 0.264 -0.568 4.834 1.00 0.00 H new ATOM 1144 N THR A 80 -2.357 -4.006 -1.249 1.00 0.00 N ATOM 1145 CA THR A 80 -1.754 -3.060 -2.244 1.00 0.00 C ATOM 1146 C THR A 80 -2.878 -2.095 -2.679 1.00 0.00 C ATOM 1147 O THR A 80 -3.974 -2.143 -2.151 1.00 0.00 O ATOM 1148 CB THR A 80 -1.151 -3.825 -3.482 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.559 -2.786 -4.269 1.00 0.00 O ATOM 1150 CG2 THR A 80 -2.168 -4.492 -4.375 1.00 0.00 C ATOM 0 H THR A 80 -3.310 -4.307 -1.452 1.00 0.00 H new ATOM 0 HA THR A 80 -0.924 -2.514 -1.795 1.00 0.00 H new ATOM 0 HB THR A 80 -0.492 -4.613 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.322 -3.076 -4.585 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.657 -4.992 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.732 -5.225 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.850 -3.741 -4.774 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.600 -1.249 -3.627 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.611 -0.269 -4.111 1.00 0.00 C ATOM 1160 C ILE A 81 -4.619 -1.035 -5.002 1.00 0.00 C ATOM 1161 O ILE A 81 -4.606 -0.928 -6.217 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.863 0.865 -4.922 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.728 1.604 -4.110 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.857 1.935 -5.308 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -0.552 0.708 -3.626 1.00 0.00 C ATOM 0 H ILE A 81 -1.697 -1.193 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.151 0.201 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.408 0.358 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.321 2.401 -4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.180 2.079 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.348 2.720 -5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.640 1.498 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.301 2.361 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.169 1.317 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.936 -0.074 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.064 0.252 -4.487 1.00 0.00 H new ATOM 1177 N SER A 82 -5.459 -1.823 -4.376 1.00 0.00 N ATOM 1178 CA SER A 82 -6.487 -2.610 -5.140 1.00 0.00 C ATOM 1179 C SER A 82 -7.659 -2.909 -4.192 1.00 0.00 C ATOM 1180 O SER A 82 -7.716 -2.352 -3.110 1.00 0.00 O ATOM 1181 CB SER A 82 -5.857 -3.949 -5.674 1.00 0.00 C ATOM 1182 OG SER A 82 -6.941 -4.620 -6.319 1.00 0.00 O ATOM 0 H SER A 82 -5.480 -1.958 -3.365 1.00 0.00 H new ATOM 0 HA SER A 82 -6.839 -2.039 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.040 -3.754 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.447 -4.547 -4.860 1.00 0.00 H new ATOM 0 HG SER A 82 -6.609 -5.090 -7.112 1.00 0.00 H new ATOM 1188 N LEU A 83 -8.550 -3.772 -4.604 1.00 0.00 N ATOM 1189 CA LEU A 83 -9.714 -4.125 -3.752 1.00 0.00 C ATOM 1190 C LEU A 83 -9.820 -5.655 -3.620 1.00 0.00 C ATOM 1191 O LEU A 83 -10.888 -6.225 -3.717 1.00 0.00 O ATOM 1192 CB LEU A 83 -10.998 -3.473 -4.388 1.00 0.00 C ATOM 1193 CG LEU A 83 -11.088 -1.921 -4.027 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -10.239 -1.041 -4.916 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -12.519 -1.442 -4.095 1.00 0.00 C ATOM 0 H LEU A 83 -8.517 -4.250 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.600 -3.737 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.976 -3.598 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.889 -3.987 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.699 -1.834 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.351 -0.000 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.193 -1.335 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.560 -1.152 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.560 -0.382 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.906 -1.593 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.125 -2.005 -3.386 1.00 0.00 H new ATOM 1207 N ASN A 84 -8.689 -6.272 -3.406 1.00 0.00 N ATOM 1208 CA ASN A 84 -8.635 -7.761 -3.254 1.00 0.00 C ATOM 1209 C ASN A 84 -8.633 -8.119 -1.749 1.00 0.00 C ATOM 1210 O ASN A 84 -9.466 -8.886 -1.307 1.00 0.00 O ATOM 1211 CB ASN A 84 -7.338 -8.227 -3.991 1.00 0.00 C ATOM 1212 CG ASN A 84 -7.493 -9.623 -4.592 1.00 0.00 C ATOM 1213 OD1 ASN A 84 -7.870 -10.566 -3.931 1.00 0.00 O ATOM 1214 ND2 ASN A 84 -7.215 -9.826 -5.848 1.00 0.00 N ATOM 0 H ASN A 84 -7.786 -5.804 -3.329 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.498 -8.265 -3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.095 -7.517 -4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.502 -8.224 -3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.317 -10.758 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.895 -9.053 -6.431 1.00 0.00 H new ATOM 1221 N ILE A 85 -7.696 -7.576 -1.008 1.00 0.00 N ATOM 1222 CA ILE A 85 -7.649 -7.883 0.461 1.00 0.00 C ATOM 1223 C ILE A 85 -8.727 -7.049 1.156 1.00 0.00 C ATOM 1224 O ILE A 85 -9.053 -5.976 0.672 1.00 0.00 O ATOM 1225 CB ILE A 85 -6.244 -7.529 1.017 1.00 0.00 C ATOM 1226 CG1 ILE A 85 -5.867 -6.044 0.702 1.00 0.00 C ATOM 1227 CG2 ILE A 85 -5.219 -8.482 0.447 1.00 0.00 C ATOM 1228 CD1 ILE A 85 -6.344 -5.058 1.819 1.00 0.00 C ATOM 0 H ILE A 85 -6.972 -6.943 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.833 -8.942 0.641 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.260 -7.634 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.786 -5.963 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.312 -5.753 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.233 -8.232 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.474 -9.503 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.210 -8.399 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.058 -4.041 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.428 -5.116 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.879 -5.329 2.767 1.00 0.00 H new ATOM 1240 N ASP A 86 -9.252 -7.542 2.255 1.00 0.00 N ATOM 1241 CA ASP A 86 -10.301 -6.730 2.936 1.00 0.00 C ATOM 1242 C ASP A 86 -9.797 -6.147 4.246 1.00 0.00 C ATOM 1243 O ASP A 86 -10.570 -5.933 5.164 1.00 0.00 O ATOM 1244 CB ASP A 86 -11.592 -7.582 3.193 1.00 0.00 C ATOM 1245 CG ASP A 86 -12.786 -6.677 2.808 1.00 0.00 C ATOM 1246 OD1 ASP A 86 -12.777 -5.526 3.228 1.00 0.00 O ATOM 1247 OD2 ASP A 86 -13.652 -7.161 2.103 1.00 0.00 O ATOM 0 H ASP A 86 -9.011 -8.432 2.691 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.549 -5.904 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.584 -8.493 2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.656 -7.888 4.237 1.00 0.00 H new ATOM 1252 N CYS A 87 -8.505 -5.911 4.313 1.00 0.00 N ATOM 1253 CA CYS A 87 -7.884 -5.326 5.537 1.00 0.00 C ATOM 1254 C CYS A 87 -8.306 -5.976 6.854 1.00 0.00 C ATOM 1255 O CYS A 87 -7.994 -5.437 7.901 1.00 0.00 O ATOM 1256 CB CYS A 87 -8.249 -3.838 5.551 1.00 0.00 C ATOM 1257 SG CYS A 87 -7.886 -2.911 4.045 1.00 0.00 S ATOM 0 H CYS A 87 -7.849 -6.104 3.556 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.810 -5.503 5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.315 -3.749 5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.722 -3.364 6.380 1.00 0.00 H new ATOM 1262 N SER A 88 -8.976 -7.097 6.788 1.00 0.00 N ATOM 1263 CA SER A 88 -9.401 -7.760 8.058 1.00 0.00 C ATOM 1264 C SER A 88 -8.807 -9.157 8.201 1.00 0.00 C ATOM 1265 O SER A 88 -9.399 -10.029 8.803 1.00 0.00 O ATOM 1266 CB SER A 88 -10.944 -7.764 8.055 1.00 0.00 C ATOM 1267 OG SER A 88 -11.294 -8.088 6.718 1.00 0.00 O ATOM 0 H SER A 88 -9.244 -7.575 5.928 1.00 0.00 H new ATOM 0 HA SER A 88 -9.028 -7.216 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.341 -8.496 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.344 -6.793 8.346 1.00 0.00 H new ATOM 0 HG SER A 88 -11.189 -7.296 6.151 1.00 0.00 H new ATOM 1273 N ARG A 89 -7.634 -9.356 7.650 1.00 0.00 N ATOM 1274 CA ARG A 89 -6.958 -10.697 7.730 1.00 0.00 C ATOM 1275 C ARG A 89 -5.433 -10.512 7.646 1.00 0.00 C ATOM 1276 O ARG A 89 -4.784 -11.306 6.992 1.00 0.00 O ATOM 1277 CB ARG A 89 -7.439 -11.536 6.528 1.00 0.00 C ATOM 1278 CG ARG A 89 -7.564 -13.036 6.839 1.00 0.00 C ATOM 1279 CD ARG A 89 -9.058 -13.348 6.852 1.00 0.00 C ATOM 1280 NE ARG A 89 -9.669 -12.417 7.848 1.00 0.00 N ATOM 1281 CZ ARG A 89 -10.385 -12.869 8.819 1.00 0.00 C ATOM 1282 NH1 ARG A 89 -9.774 -13.234 9.910 1.00 0.00 N ATOM 1283 NH2 ARG A 89 -11.665 -12.924 8.618 1.00 0.00 N ATOM 0 H ARG A 89 -7.109 -8.643 7.143 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.202 -11.193 8.670 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.407 -11.160 6.196 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.744 -11.401 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.049 -13.633 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.109 -13.273 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.495 -13.202 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.236 -14.387 7.130 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.518 -11.412 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.759 -13.157 9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.311 -13.596 10.698 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.055 -12.618 7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.282 -13.273 9.351 1.00 0.00 H new ATOM 1297 N VAL A 90 -4.894 -9.517 8.284 1.00 0.00 N ATOM 1298 CA VAL A 90 -3.420 -9.303 8.202 1.00 0.00 C ATOM 1299 C VAL A 90 -2.796 -8.976 9.561 1.00 0.00 C ATOM 1300 O VAL A 90 -1.587 -8.814 9.530 1.00 0.00 O ATOM 1301 CB VAL A 90 -3.219 -8.156 7.154 1.00 0.00 C ATOM 1302 CG1 VAL A 90 -3.739 -8.613 5.809 1.00 0.00 C ATOM 1303 CG2 VAL A 90 -4.002 -6.933 7.578 1.00 0.00 C ATOM 1304 OXT VAL A 90 -3.537 -8.885 10.528 1.00 0.00 O ATOM 0 H VAL A 90 -5.403 -8.844 8.857 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.907 -10.213 7.891 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.158 -7.914 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.601 -7.818 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.192 -9.500 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.800 -8.851 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.859 -6.138 6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.061 -7.183 7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.651 -6.596 8.553 1.00 0.00 H new TER 1314 VAL A 90