USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 935 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 23 SER OG : rot 118:sc= 1.3 USER MOD Set 1.2: A 28 SER OG : rot 70:sc= 1.48 USER MOD Set 1.3: A 85 ASN :FLIP amide:sc= 0.449 F(o=-0.51!,f=3.2) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.379 (180deg=-0.576) USER MOD Single : A 1 MET N :NH3+ -177:sc= -6.67! (180deg=-6.72!) USER MOD Single : A 5 GLN : amide:sc= 0.791 K(o=0.79,f=-5!) USER MOD Single : A 7 SER OG : rot -38:sc= 0.768 USER MOD Single : A 8 LYS NZ :NH3+ -119:sc= 0.912 (180deg=-0.0613) USER MOD Single : A 13 THR OG1 : rot -51:sc= 0.627 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.788 (180deg=-1.54!) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0236 (180deg=-0.407) USER MOD Single : A 25 ASN :FLIP amide:sc=-0.00785 F(o=-1.6!,f=-0.0078) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 30 MET CE :methyl -124:sc= -0.107 (180deg=-0.678) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0326) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -149:sc=-0.00567 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 143:sc= -1.58 (180deg=-5.37!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 120:sc= -0.393 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= -1.02 (180deg=-1.13) USER MOD Single : A 72 ASN : amide:sc= -0.0584 K(o=-0.058,f=-2!) USER MOD Single : A 76 THR OG1 : rot -120:sc= -0.706 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00661 USER MOD Single : A 87 GLN : amide:sc= -1.86! C(o=-1.9!,f=-1.5!) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 150:sc= -0.416 USER MOD Single : A 104 ASN : amide:sc= 0.643 K(o=0.64,f=-3.5!) USER MOD Single : A 109 SER OG : rot 41:sc= 0.0558 USER MOD Single : A 110 LYS NZ :NH3+ -164:sc=-0.00215 (180deg=-0.29) USER MOD Single : A 111 SER OG : rot 180:sc= -1.75! USER MOD Single : A 115 HIS : no HE2:sc= -0.0788 K(o=-0.079,f=-0.86) USER MOD Single : A 116 HIS : no HE2:sc= -2.26! C(o=-2.3!,f=-8.1!) USER MOD Single : A 117 HIS : no HE2:sc= -2.14! C(o=-2.1!,f=-3.2!) USER MOD Single : A 118 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.71) USER MOD Single : A 120 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.609 -0.598 7.707 1.00 0.00 N ATOM 2 CA MET A 1 4.963 -0.118 6.346 1.00 0.00 C ATOM 3 C MET A 1 6.032 0.963 6.475 1.00 0.00 C ATOM 4 O MET A 1 6.958 1.033 5.693 1.00 0.00 O ATOM 5 CB MET A 1 3.716 0.468 5.672 1.00 0.00 C ATOM 6 CG MET A 1 2.520 -0.456 5.917 1.00 0.00 C ATOM 7 SD MET A 1 2.940 -2.140 5.397 1.00 0.00 S ATOM 8 CE MET A 1 1.522 -2.972 6.152 1.00 0.00 C ATOM 0 H1 MET A 1 3.918 -1.372 7.633 1.00 0.00 H new ATOM 0 H2 MET A 1 5.465 -0.943 8.187 1.00 0.00 H new ATOM 0 H3 MET A 1 4.196 0.184 8.255 1.00 0.00 H new ATOM 0 HA MET A 1 5.340 -0.944 5.742 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.508 1.462 6.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.888 0.582 4.602 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.250 -0.447 6.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.652 -0.099 5.363 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.396 -3.957 5.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.692 -3.081 7.223 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.622 -2.380 5.986 1.00 0.00 H new ATOM 20 N ALA A 2 5.902 1.800 7.474 1.00 0.00 N ATOM 21 CA ALA A 2 6.892 2.892 7.692 1.00 0.00 C ATOM 22 C ALA A 2 6.954 3.789 6.460 1.00 0.00 C ATOM 23 O ALA A 2 6.478 4.908 6.473 1.00 0.00 O ATOM 24 CB ALA A 2 8.274 2.296 7.955 1.00 0.00 C ATOM 0 H ALA A 2 5.142 1.770 8.154 1.00 0.00 H new ATOM 0 HA ALA A 2 6.582 3.482 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.993 3.100 8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.235 1.664 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.582 1.698 7.097 1.00 0.00 H new ATOM 30 N GLU A 3 7.539 3.308 5.393 1.00 0.00 N ATOM 31 CA GLU A 3 7.640 4.126 4.154 1.00 0.00 C ATOM 32 C GLU A 3 7.267 3.274 2.945 1.00 0.00 C ATOM 33 O GLU A 3 7.672 2.132 2.815 1.00 0.00 O ATOM 34 CB GLU A 3 9.071 4.650 4.005 1.00 0.00 C ATOM 35 CG GLU A 3 10.036 3.490 3.757 1.00 0.00 C ATOM 36 CD GLU A 3 11.474 4.013 3.796 1.00 0.00 C ATOM 37 OE1 GLU A 3 11.682 5.144 3.389 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.342 3.273 4.231 1.00 0.00 O ATOM 0 H GLU A 3 7.953 2.378 5.330 1.00 0.00 H new ATOM 0 HA GLU A 3 6.954 4.971 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.122 5.358 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.364 5.190 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.897 2.718 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.830 3.030 2.790 1.00 0.00 H new ATOM 45 N ILE A 4 6.497 3.838 2.051 1.00 0.00 N ATOM 46 CA ILE A 4 6.074 3.102 0.827 1.00 0.00 C ATOM 47 C ILE A 4 6.826 3.673 -0.370 1.00 0.00 C ATOM 48 O ILE A 4 6.867 4.871 -0.574 1.00 0.00 O ATOM 49 CB ILE A 4 4.574 3.289 0.610 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.812 2.715 1.808 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.154 2.557 -0.665 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.338 3.114 1.715 1.00 0.00 C ATOM 0 H ILE A 4 6.140 4.791 2.120 1.00 0.00 H new ATOM 0 HA ILE A 4 6.294 2.040 0.940 1.00 0.00 H new ATOM 0 HB ILE A 4 4.346 4.350 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.905 1.629 1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.242 3.087 2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.084 2.688 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.700 2.965 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.379 1.495 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.796 2.705 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.254 4.201 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.912 2.721 0.792 1.00 0.00 H new ATOM 64 N GLN A 5 7.429 2.821 -1.162 1.00 0.00 N ATOM 65 CA GLN A 5 8.192 3.298 -2.355 1.00 0.00 C ATOM 66 C GLN A 5 7.712 2.565 -3.605 1.00 0.00 C ATOM 67 O GLN A 5 7.515 1.366 -3.608 1.00 0.00 O ATOM 68 CB GLN A 5 9.681 3.029 -2.147 1.00 0.00 C ATOM 69 CG GLN A 5 10.217 3.958 -1.057 1.00 0.00 C ATOM 70 CD GLN A 5 11.708 3.695 -0.849 1.00 0.00 C ATOM 71 OE1 GLN A 5 12.464 3.634 -1.800 1.00 0.00 O ATOM 72 NE2 GLN A 5 12.168 3.542 0.361 1.00 0.00 N ATOM 0 H GLN A 5 7.425 1.809 -1.032 1.00 0.00 H new ATOM 0 HA GLN A 5 8.028 4.368 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.838 1.988 -1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.225 3.191 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.057 4.998 -1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.675 3.794 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.534 3.593 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.162 3.371 0.511 1.00 0.00 H new ATOM 81 N PHE A 6 7.521 3.297 -4.670 1.00 0.00 N ATOM 82 CA PHE A 6 7.054 2.695 -5.953 1.00 0.00 C ATOM 83 C PHE A 6 8.215 2.656 -6.948 1.00 0.00 C ATOM 84 O PHE A 6 8.565 1.618 -7.477 1.00 0.00 O ATOM 85 CB PHE A 6 5.943 3.570 -6.529 1.00 0.00 C ATOM 86 CG PHE A 6 4.708 3.458 -5.670 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.849 2.365 -5.825 1.00 0.00 C ATOM 88 CD2 PHE A 6 4.422 4.445 -4.719 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.704 2.257 -5.029 1.00 0.00 C ATOM 90 CE2 PHE A 6 3.275 4.338 -3.922 1.00 0.00 C ATOM 91 CZ PHE A 6 2.417 3.243 -4.078 1.00 0.00 C ATOM 0 H PHE A 6 7.672 4.305 -4.705 1.00 0.00 H new ATOM 0 HA PHE A 6 6.688 1.684 -5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.272 4.608 -6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.717 3.261 -7.550 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.070 1.604 -6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.086 5.289 -4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.041 1.413 -5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.053 5.099 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.533 3.159 -3.464 1.00 0.00 H new ATOM 101 N SER A 7 8.807 3.791 -7.211 1.00 0.00 N ATOM 102 CA SER A 7 9.946 3.849 -8.175 1.00 0.00 C ATOM 103 C SER A 7 11.265 3.721 -7.410 1.00 0.00 C ATOM 104 O SER A 7 12.331 3.940 -7.951 1.00 0.00 O ATOM 105 CB SER A 7 9.905 5.183 -8.920 1.00 0.00 C ATOM 106 OG SER A 7 10.930 5.203 -9.907 1.00 0.00 O ATOM 0 H SER A 7 8.549 4.687 -6.797 1.00 0.00 H new ATOM 0 HA SER A 7 9.867 3.032 -8.892 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.931 5.321 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.042 6.008 -8.220 1.00 0.00 H new ATOM 0 HG SER A 7 11.732 4.763 -9.555 1.00 0.00 H new ATOM 112 N LYS A 8 11.191 3.366 -6.155 1.00 0.00 N ATOM 113 CA LYS A 8 12.422 3.208 -5.322 1.00 0.00 C ATOM 114 C LYS A 8 13.228 4.510 -5.292 1.00 0.00 C ATOM 115 O LYS A 8 13.610 5.050 -6.312 1.00 0.00 O ATOM 116 CB LYS A 8 13.289 2.070 -5.872 1.00 0.00 C ATOM 117 CG LYS A 8 12.585 0.733 -5.634 1.00 0.00 C ATOM 118 CD LYS A 8 13.449 -0.402 -6.188 1.00 0.00 C ATOM 119 CE LYS A 8 12.724 -1.738 -6.005 1.00 0.00 C ATOM 120 NZ LYS A 8 12.601 -2.044 -4.552 1.00 0.00 N ATOM 0 H LYS A 8 10.318 3.176 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 8 12.117 2.966 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.466 2.216 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.264 2.072 -5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.411 0.586 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.609 0.732 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.657 -0.232 -7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.410 -0.425 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.736 -1.693 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.273 -2.533 -6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.100 -2.932 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.021 -1.271 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.596 -2.143 -4.302 1.00 0.00 H new ATOM 134 N GLY A 9 13.490 5.012 -4.112 1.00 0.00 N ATOM 135 CA GLY A 9 14.265 6.278 -3.978 1.00 0.00 C ATOM 136 C GLY A 9 13.294 7.457 -3.990 1.00 0.00 C ATOM 137 O GLY A 9 13.688 8.604 -4.101 1.00 0.00 O ATOM 0 H GLY A 9 13.197 4.594 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.839 6.272 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.980 6.370 -4.795 1.00 0.00 H new ATOM 141 N VAL A 10 12.019 7.179 -3.882 1.00 0.00 N ATOM 142 CA VAL A 10 11.002 8.274 -3.894 1.00 0.00 C ATOM 143 C VAL A 10 10.632 8.662 -2.464 1.00 0.00 C ATOM 144 O VAL A 10 10.416 7.828 -1.605 1.00 0.00 O ATOM 145 CB VAL A 10 9.752 7.804 -4.644 1.00 0.00 C ATOM 146 CG1 VAL A 10 10.014 7.879 -6.147 1.00 0.00 C ATOM 147 CG2 VAL A 10 9.431 6.359 -4.258 1.00 0.00 C ATOM 0 H VAL A 10 11.638 6.238 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 10 11.421 9.145 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 10 8.908 8.442 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.128 7.546 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.244 8.908 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.857 7.237 -6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.541 6.028 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.272 5.717 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.251 6.301 -3.185 1.00 0.00 H new ATOM 157 N ALA A 11 10.573 9.938 -2.215 1.00 0.00 N ATOM 158 CA ALA A 11 10.236 10.444 -0.853 1.00 0.00 C ATOM 159 C ALA A 11 8.735 10.697 -0.730 1.00 0.00 C ATOM 160 O ALA A 11 7.940 10.172 -1.484 1.00 0.00 O ATOM 161 CB ALA A 11 10.974 11.761 -0.625 1.00 0.00 C ATOM 0 H ALA A 11 10.747 10.666 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 11 10.532 9.699 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.737 12.144 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.048 11.594 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.664 12.487 -1.377 1.00 0.00 H new ATOM 167 N GLU A 12 8.360 11.512 0.227 1.00 0.00 N ATOM 168 CA GLU A 12 6.920 11.841 0.444 1.00 0.00 C ATOM 169 C GLU A 12 6.123 10.554 0.665 1.00 0.00 C ATOM 170 O GLU A 12 5.757 10.231 1.774 1.00 0.00 O ATOM 171 CB GLU A 12 6.371 12.598 -0.771 1.00 0.00 C ATOM 172 CG GLU A 12 7.083 13.949 -0.901 1.00 0.00 C ATOM 173 CD GLU A 12 6.733 14.838 0.296 1.00 0.00 C ATOM 174 OE1 GLU A 12 5.554 15.014 0.554 1.00 0.00 O ATOM 175 OE2 GLU A 12 7.652 15.329 0.931 1.00 0.00 O ATOM 0 H GLU A 12 9.002 11.968 0.875 1.00 0.00 H new ATOM 0 HA GLU A 12 6.825 12.473 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.519 12.009 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.297 12.751 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.161 13.799 -0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.786 14.439 -1.828 1.00 0.00 H new ATOM 182 N THR A 13 5.853 9.828 -0.387 1.00 0.00 N ATOM 183 CA THR A 13 5.084 8.555 -0.264 1.00 0.00 C ATOM 184 C THR A 13 3.673 8.872 0.203 1.00 0.00 C ATOM 185 O THR A 13 2.890 7.987 0.473 1.00 0.00 O ATOM 186 CB THR A 13 5.762 7.607 0.741 1.00 0.00 C ATOM 187 OG1 THR A 13 5.406 7.976 2.065 1.00 0.00 O ATOM 188 CG2 THR A 13 7.284 7.676 0.579 1.00 0.00 C ATOM 0 H THR A 13 6.136 10.066 -1.338 1.00 0.00 H new ATOM 0 HA THR A 13 5.054 8.062 -1.236 1.00 0.00 H new ATOM 0 HB THR A 13 5.428 6.588 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.565 8.935 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.757 7.002 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.556 7.379 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.624 8.695 0.762 1.00 0.00 H new ATOM 196 N VAL A 14 3.359 10.137 0.279 1.00 0.00 N ATOM 197 CA VAL A 14 2.001 10.588 0.706 1.00 0.00 C ATOM 198 C VAL A 14 1.510 9.794 1.925 1.00 0.00 C ATOM 199 O VAL A 14 2.161 8.891 2.406 1.00 0.00 O ATOM 200 CB VAL A 14 1.005 10.441 -0.470 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.796 8.962 -0.857 1.00 0.00 C ATOM 202 CG2 VAL A 14 -0.350 11.066 -0.094 1.00 0.00 C ATOM 0 H VAL A 14 4.003 10.896 0.057 1.00 0.00 H new ATOM 0 HA VAL A 14 2.063 11.637 0.995 1.00 0.00 H new ATOM 0 HB VAL A 14 1.430 10.962 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.091 8.899 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.749 8.526 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.400 8.414 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.044 10.958 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.754 10.559 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.213 12.124 0.129 1.00 0.00 H new ATOM 212 N VAL A 15 0.348 10.134 2.422 1.00 0.00 N ATOM 213 CA VAL A 15 -0.226 9.414 3.595 1.00 0.00 C ATOM 214 C VAL A 15 -1.513 8.690 3.157 1.00 0.00 C ATOM 215 O VAL A 15 -2.585 9.261 3.185 1.00 0.00 O ATOM 216 CB VAL A 15 -0.546 10.420 4.690 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.256 9.699 5.837 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.765 11.019 5.203 1.00 0.00 C ATOM 0 H VAL A 15 -0.233 10.890 2.059 1.00 0.00 H new ATOM 0 HA VAL A 15 0.489 8.685 3.975 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.189 11.210 4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.489 10.413 6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.179 9.251 5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.607 8.919 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.551 11.743 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.396 10.225 5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.283 11.516 4.383 1.00 0.00 H new ATOM 228 N PRO A 16 -1.405 7.443 2.742 1.00 0.00 N ATOM 229 CA PRO A 16 -2.575 6.642 2.282 1.00 0.00 C ATOM 230 C PRO A 16 -3.388 6.065 3.443 1.00 0.00 C ATOM 231 O PRO A 16 -2.853 5.697 4.472 1.00 0.00 O ATOM 232 CB PRO A 16 -1.931 5.532 1.445 1.00 0.00 C ATOM 233 CG PRO A 16 -0.584 5.316 2.059 1.00 0.00 C ATOM 234 CD PRO A 16 -0.159 6.658 2.673 1.00 0.00 C ATOM 0 HA PRO A 16 -3.294 7.244 1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.528 4.620 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.845 5.826 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.626 4.538 2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.135 4.989 1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.279 6.521 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.591 7.156 2.058 1.00 0.00 H new ATOM 242 N GLU A 17 -4.677 5.986 3.279 1.00 0.00 N ATOM 243 CA GLU A 17 -5.532 5.439 4.364 1.00 0.00 C ATOM 244 C GLU A 17 -5.381 3.920 4.418 1.00 0.00 C ATOM 245 O GLU A 17 -5.132 3.272 3.419 1.00 0.00 O ATOM 246 CB GLU A 17 -6.992 5.803 4.090 1.00 0.00 C ATOM 247 CG GLU A 17 -7.857 5.424 5.296 1.00 0.00 C ATOM 248 CD GLU A 17 -7.510 6.333 6.479 1.00 0.00 C ATOM 249 OE1 GLU A 17 -6.788 7.294 6.271 1.00 0.00 O ATOM 250 OE2 GLU A 17 -7.980 6.056 7.569 1.00 0.00 O ATOM 0 H GLU A 17 -5.176 6.277 2.438 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.225 5.864 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.079 6.871 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.345 5.282 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.913 5.523 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.689 4.381 5.564 1.00 0.00 H new ATOM 257 N VAL A 18 -5.527 3.351 5.585 1.00 0.00 N ATOM 258 CA VAL A 18 -5.388 1.875 5.730 1.00 0.00 C ATOM 259 C VAL A 18 -6.775 1.241 5.793 1.00 0.00 C ATOM 260 O VAL A 18 -7.613 1.618 6.589 1.00 0.00 O ATOM 261 CB VAL A 18 -4.630 1.576 7.025 1.00 0.00 C ATOM 262 CG1 VAL A 18 -4.657 0.071 7.312 1.00 0.00 C ATOM 263 CG2 VAL A 18 -3.182 2.048 6.880 1.00 0.00 C ATOM 0 H VAL A 18 -5.738 3.850 6.449 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.843 1.466 4.879 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.106 2.101 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.115 -0.133 8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.690 -0.261 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.185 -0.465 6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.637 1.837 7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.709 1.523 6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.167 3.121 6.686 1.00 0.00 H new ATOM 273 N ARG A 19 -7.013 0.263 4.956 1.00 0.00 N ATOM 274 CA ARG A 19 -8.335 -0.433 4.943 1.00 0.00 C ATOM 275 C ARG A 19 -8.105 -1.941 4.943 1.00 0.00 C ATOM 276 O ARG A 19 -7.484 -2.488 4.051 1.00 0.00 O ATOM 277 CB ARG A 19 -9.112 -0.026 3.694 1.00 0.00 C ATOM 278 CG ARG A 19 -10.483 -0.703 3.714 1.00 0.00 C ATOM 279 CD ARG A 19 -11.349 -0.166 2.569 1.00 0.00 C ATOM 280 NE ARG A 19 -10.721 -0.510 1.259 1.00 0.00 N ATOM 281 CZ ARG A 19 -11.224 -0.049 0.144 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.285 0.710 0.161 1.00 0.00 N ATOM 283 NH2 ARG A 19 -10.660 -0.351 -0.994 1.00 0.00 N ATOM 0 H ARG A 19 -6.340 -0.086 4.274 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.909 -0.154 5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.228 1.057 3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.563 -0.316 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.366 -1.782 3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.974 -0.520 4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.350 -0.593 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.458 0.915 2.658 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.895 -1.108 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.728 0.948 1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.672 1.066 -0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.830 -0.944 -1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.049 0.006 -1.867 1.00 0.00 H new ATOM 297 N LEU A 20 -8.599 -2.616 5.950 1.00 0.00 N ATOM 298 CA LEU A 20 -8.414 -4.095 6.048 1.00 0.00 C ATOM 299 C LEU A 20 -9.722 -4.784 5.686 1.00 0.00 C ATOM 300 O LEU A 20 -10.782 -4.421 6.156 1.00 0.00 O ATOM 301 CB LEU A 20 -8.007 -4.463 7.483 1.00 0.00 C ATOM 302 CG LEU A 20 -6.492 -4.269 7.666 1.00 0.00 C ATOM 303 CD1 LEU A 20 -6.064 -2.901 7.127 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.150 -4.345 9.151 1.00 0.00 C ATOM 0 H LEU A 20 -9.128 -2.200 6.716 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.632 -4.419 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.550 -3.841 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.277 -5.498 7.692 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.967 -5.052 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.990 -2.776 7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.306 -2.836 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.592 -2.115 7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.077 -4.208 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.686 -3.562 9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.443 -5.319 9.542 1.00 0.00 H new ATOM 316 N SER A 21 -9.646 -5.778 4.839 1.00 0.00 N ATOM 317 CA SER A 21 -10.870 -6.511 4.411 1.00 0.00 C ATOM 318 C SER A 21 -10.673 -8.006 4.623 1.00 0.00 C ATOM 319 O SER A 21 -9.565 -8.510 4.593 1.00 0.00 O ATOM 320 CB SER A 21 -11.123 -6.238 2.934 1.00 0.00 C ATOM 321 OG SER A 21 -11.503 -4.877 2.776 1.00 0.00 O ATOM 0 H SER A 21 -8.778 -6.115 4.423 1.00 0.00 H new ATOM 0 HA SER A 21 -11.722 -6.174 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.225 -6.449 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.908 -6.895 2.558 1.00 0.00 H new ATOM 0 HG SER A 21 -11.666 -4.691 1.828 1.00 0.00 H new ATOM 327 N LYS A 22 -11.751 -8.716 4.840 1.00 0.00 N ATOM 328 CA LYS A 22 -11.666 -10.189 5.064 1.00 0.00 C ATOM 329 C LYS A 22 -12.395 -10.921 3.937 1.00 0.00 C ATOM 330 O LYS A 22 -13.516 -10.601 3.588 1.00 0.00 O ATOM 331 CB LYS A 22 -12.319 -10.530 6.405 1.00 0.00 C ATOM 332 CG LYS A 22 -11.899 -11.939 6.842 1.00 0.00 C ATOM 333 CD LYS A 22 -12.395 -12.222 8.272 1.00 0.00 C ATOM 334 CE LYS A 22 -11.362 -11.729 9.293 1.00 0.00 C ATOM 335 NZ LYS A 22 -10.067 -12.430 9.062 1.00 0.00 N ATOM 0 H LYS A 22 -12.696 -8.333 4.872 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.621 -10.499 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.023 -9.802 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.404 -10.475 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.309 -12.678 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.814 -12.032 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.350 -11.724 8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.565 -13.291 8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.227 -10.651 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.716 -11.919 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.482 -12.370 9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.248 -13.429 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.566 -11.981 8.269 1.00 0.00 H new ATOM 349 N SER A 23 -11.752 -11.900 3.366 1.00 0.00 N ATOM 350 CA SER A 23 -12.374 -12.670 2.252 1.00 0.00 C ATOM 351 C SER A 23 -13.695 -13.289 2.713 1.00 0.00 C ATOM 352 O SER A 23 -14.755 -12.723 2.527 1.00 0.00 O ATOM 353 CB SER A 23 -11.420 -13.787 1.832 1.00 0.00 C ATOM 354 OG SER A 23 -10.270 -13.222 1.218 1.00 0.00 O ATOM 0 H SER A 23 -10.813 -12.203 3.625 1.00 0.00 H new ATOM 0 HA SER A 23 -12.567 -12.000 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.129 -14.377 2.701 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.919 -14.465 1.140 1.00 0.00 H new ATOM 0 HG SER A 23 -9.475 -13.443 1.747 1.00 0.00 H new ATOM 360 N LYS A 24 -13.636 -14.457 3.298 1.00 0.00 N ATOM 361 CA LYS A 24 -14.883 -15.143 3.765 1.00 0.00 C ATOM 362 C LYS A 24 -14.975 -15.091 5.295 1.00 0.00 C ATOM 363 O LYS A 24 -15.204 -14.052 5.882 1.00 0.00 O ATOM 364 CB LYS A 24 -14.843 -16.609 3.319 1.00 0.00 C ATOM 365 CG LYS A 24 -14.948 -16.687 1.796 1.00 0.00 C ATOM 366 CD LYS A 24 -14.908 -18.153 1.359 1.00 0.00 C ATOM 367 CE LYS A 24 -15.083 -18.240 -0.159 1.00 0.00 C ATOM 368 NZ LYS A 24 -13.932 -17.575 -0.834 1.00 0.00 N ATOM 0 H LYS A 24 -12.773 -14.970 3.475 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.749 -14.639 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.917 -17.076 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.663 -17.162 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.874 -16.221 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.128 -16.136 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.961 -18.605 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.697 -18.714 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.146 -19.283 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.017 -17.762 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.893 -17.874 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.051 -16.543 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.048 -17.843 -0.357 1.00 0.00 H new ATOM 382 N ASN A 25 -14.808 -16.218 5.941 1.00 0.00 N ATOM 383 CA ASN A 25 -14.892 -16.262 7.431 1.00 0.00 C ATOM 384 C ASN A 25 -13.481 -16.174 8.015 1.00 0.00 C ATOM 385 O ASN A 25 -13.267 -16.402 9.191 1.00 0.00 O ATOM 386 CB ASN A 25 -15.546 -17.579 7.858 1.00 0.00 C ATOM 387 CG ASN A 25 -17.013 -17.592 7.416 1.00 0.00 C ATOM 388 OD1 ASN A 25 -17.602 -16.470 7.100 1.00 0.00 O flip ATOM 389 ND2 ASN A 25 -17.629 -18.639 7.349 1.00 0.00 N flip ATOM 0 H ASN A 25 -14.616 -17.115 5.496 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.489 -15.426 7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -15.015 -18.421 7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -15.481 -17.695 8.940 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.171 -19.517 7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.603 -18.639 7.047 1.00 0.00 H new ATOM 396 N GLY A 26 -12.518 -15.840 7.193 1.00 0.00 N ATOM 397 CA GLY A 26 -11.102 -15.729 7.667 1.00 0.00 C ATOM 398 C GLY A 26 -10.262 -16.809 6.983 1.00 0.00 C ATOM 399 O GLY A 26 -9.205 -17.183 7.454 1.00 0.00 O ATOM 0 H GLY A 26 -12.653 -15.637 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.704 -14.741 7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.057 -15.846 8.750 1.00 0.00 H new ATOM 403 N GLN A 27 -10.728 -17.310 5.872 1.00 0.00 N ATOM 404 CA GLN A 27 -9.964 -18.363 5.146 1.00 0.00 C ATOM 405 C GLN A 27 -8.913 -17.697 4.253 1.00 0.00 C ATOM 406 O GLN A 27 -8.071 -18.352 3.669 1.00 0.00 O ATOM 407 CB GLN A 27 -10.934 -19.175 4.282 1.00 0.00 C ATOM 408 CG GLN A 27 -11.873 -19.976 5.186 1.00 0.00 C ATOM 409 CD GLN A 27 -12.880 -20.751 4.333 1.00 0.00 C ATOM 410 OE1 GLN A 27 -12.508 -21.415 3.384 1.00 0.00 O ATOM 411 NE2 GLN A 27 -14.149 -20.696 4.632 1.00 0.00 N ATOM 0 H GLN A 27 -11.607 -17.034 5.435 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.468 -19.023 5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.510 -18.509 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.379 -19.848 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.297 -20.667 5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.399 -19.305 5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.462 -20.140 5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.828 -21.210 4.070 1.00 0.00 H new ATOM 420 N SER A 28 -8.949 -16.395 4.153 1.00 0.00 N ATOM 421 CA SER A 28 -7.947 -15.682 3.309 1.00 0.00 C ATOM 422 C SER A 28 -7.871 -14.215 3.739 1.00 0.00 C ATOM 423 O SER A 28 -8.711 -13.404 3.398 1.00 0.00 O ATOM 424 CB SER A 28 -8.354 -15.772 1.837 1.00 0.00 C ATOM 425 OG SER A 28 -7.851 -14.641 1.139 1.00 0.00 O ATOM 0 H SER A 28 -9.629 -15.795 4.619 1.00 0.00 H new ATOM 0 HA SER A 28 -6.969 -16.146 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.964 -16.689 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.440 -15.814 1.750 1.00 0.00 H new ATOM 0 HG SER A 28 -6.875 -14.705 1.072 1.00 0.00 H new ATOM 431 N GLY A 29 -6.863 -13.879 4.497 1.00 0.00 N ATOM 432 CA GLY A 29 -6.706 -12.477 4.977 1.00 0.00 C ATOM 433 C GLY A 29 -6.385 -11.553 3.805 1.00 0.00 C ATOM 434 O GLY A 29 -5.630 -11.893 2.917 1.00 0.00 O ATOM 0 H GLY A 29 -6.135 -14.522 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.622 -12.148 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.909 -12.426 5.719 1.00 0.00 H new ATOM 438 N MET A 30 -6.954 -10.374 3.803 1.00 0.00 N ATOM 439 CA MET A 30 -6.690 -9.412 2.696 1.00 0.00 C ATOM 440 C MET A 30 -6.584 -7.994 3.251 1.00 0.00 C ATOM 441 O MET A 30 -7.209 -7.647 4.234 1.00 0.00 O ATOM 442 CB MET A 30 -7.835 -9.477 1.685 1.00 0.00 C ATOM 443 CG MET A 30 -7.579 -8.476 0.557 1.00 0.00 C ATOM 444 SD MET A 30 -8.824 -8.690 -0.738 1.00 0.00 S ATOM 445 CE MET A 30 -7.916 -9.894 -1.740 1.00 0.00 C ATOM 0 H MET A 30 -7.592 -10.037 4.524 1.00 0.00 H new ATOM 0 HA MET A 30 -5.752 -9.676 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.918 -10.485 1.279 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.781 -9.252 2.177 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.615 -7.458 0.945 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.581 -8.625 0.144 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.817 -9.519 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.925 -10.049 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.458 -10.840 -1.753 1.00 0.00 H new ATOM 455 N ALA A 31 -5.795 -7.169 2.610 1.00 0.00 N ATOM 456 CA ALA A 31 -5.630 -5.760 3.068 1.00 0.00 C ATOM 457 C ALA A 31 -5.681 -4.832 1.856 1.00 0.00 C ATOM 458 O ALA A 31 -5.227 -5.173 0.782 1.00 0.00 O ATOM 459 CB ALA A 31 -4.283 -5.606 3.772 1.00 0.00 C ATOM 0 H ALA A 31 -5.254 -7.416 1.781 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.430 -5.503 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.163 -4.576 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.244 -6.274 4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.480 -5.859 3.080 1.00 0.00 H new ATOM 465 N LYS A 32 -6.243 -3.659 2.022 1.00 0.00 N ATOM 466 CA LYS A 32 -6.350 -2.689 0.887 1.00 0.00 C ATOM 467 C LYS A 32 -5.729 -1.352 1.284 1.00 0.00 C ATOM 468 O LYS A 32 -5.849 -0.901 2.407 1.00 0.00 O ATOM 469 CB LYS A 32 -7.824 -2.489 0.539 1.00 0.00 C ATOM 470 CG LYS A 32 -8.367 -3.785 -0.066 1.00 0.00 C ATOM 471 CD LYS A 32 -9.845 -3.612 -0.418 1.00 0.00 C ATOM 472 CE LYS A 32 -10.371 -4.906 -1.044 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.808 -4.738 -1.399 1.00 0.00 N ATOM 0 H LYS A 32 -6.636 -3.329 2.904 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.817 -3.082 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.390 -2.223 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.937 -1.666 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.799 -4.046 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.246 -4.606 0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.418 -3.368 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.970 -2.781 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.792 -5.153 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.252 -5.735 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.166 -5.617 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.354 -4.521 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.909 -3.958 -2.080 1.00 0.00 H new ATOM 487 N PHE A 33 -5.065 -0.712 0.351 1.00 0.00 N ATOM 488 CA PHE A 33 -4.419 0.606 0.629 1.00 0.00 C ATOM 489 C PHE A 33 -4.979 1.646 -0.334 1.00 0.00 C ATOM 490 O PHE A 33 -5.163 1.383 -1.509 1.00 0.00 O ATOM 491 CB PHE A 33 -2.912 0.487 0.414 1.00 0.00 C ATOM 492 CG PHE A 33 -2.321 -0.333 1.531 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.990 0.278 2.745 1.00 0.00 C ATOM 494 CD2 PHE A 33 -2.106 -1.705 1.355 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.444 -0.481 3.784 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.558 -2.464 2.394 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.228 -1.853 3.609 1.00 0.00 C ATOM 0 H PHE A 33 -4.943 -1.053 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.620 0.904 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.705 0.018 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.456 1.477 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.156 1.337 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.363 -2.177 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.189 -0.009 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.389 -3.522 2.259 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.807 -2.440 4.412 1.00 0.00 H new ATOM 507 N TYR A 34 -5.258 2.828 0.161 1.00 0.00 N ATOM 508 CA TYR A 34 -5.819 3.907 -0.708 1.00 0.00 C ATOM 509 C TYR A 34 -4.886 5.118 -0.700 1.00 0.00 C ATOM 510 O TYR A 34 -4.545 5.656 0.338 1.00 0.00 O ATOM 511 CB TYR A 34 -7.195 4.310 -0.177 1.00 0.00 C ATOM 512 CG TYR A 34 -7.817 5.319 -1.111 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.402 4.894 -2.309 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.810 6.679 -0.781 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.981 5.826 -3.178 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.388 7.613 -1.647 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.973 7.186 -2.846 1.00 0.00 C ATOM 518 OH TYR A 34 -9.544 8.106 -3.700 1.00 0.00 O ATOM 0 H TYR A 34 -5.120 3.092 1.137 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.913 3.541 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.836 3.432 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.101 4.733 0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.407 3.844 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.358 7.008 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.433 5.497 -4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.383 8.662 -1.391 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.454 9.005 -3.320 1.00 0.00 H new ATOM 528 N PHE A 35 -4.478 5.548 -1.866 1.00 0.00 N ATOM 529 CA PHE A 35 -3.565 6.723 -1.986 1.00 0.00 C ATOM 530 C PHE A 35 -4.340 7.888 -2.590 1.00 0.00 C ATOM 531 O PHE A 35 -4.775 7.836 -3.728 1.00 0.00 O ATOM 532 CB PHE A 35 -2.401 6.354 -2.901 1.00 0.00 C ATOM 533 CG PHE A 35 -1.659 5.171 -2.319 1.00 0.00 C ATOM 534 CD1 PHE A 35 -2.223 3.890 -2.385 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.413 5.355 -1.711 1.00 0.00 C ATOM 536 CE1 PHE A 35 -1.539 2.796 -1.843 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.270 4.262 -1.169 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.292 2.982 -1.235 1.00 0.00 C ATOM 0 H PHE A 35 -4.744 5.126 -2.756 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.182 7.006 -1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.770 6.111 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.726 7.203 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.185 3.747 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.022 6.342 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.973 1.808 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.232 4.406 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.236 2.138 -0.817 1.00 0.00 H new ATOM 548 N LEU A 36 -4.527 8.934 -1.825 1.00 0.00 N ATOM 549 CA LEU A 36 -5.290 10.112 -2.327 1.00 0.00 C ATOM 550 C LEU A 36 -4.356 11.098 -3.026 1.00 0.00 C ATOM 551 O LEU A 36 -3.313 11.455 -2.513 1.00 0.00 O ATOM 552 CB LEU A 36 -5.981 10.813 -1.150 1.00 0.00 C ATOM 553 CG LEU A 36 -6.720 12.072 -1.639 1.00 0.00 C ATOM 554 CD1 LEU A 36 -7.728 11.701 -2.739 1.00 0.00 C ATOM 555 CD2 LEU A 36 -7.460 12.713 -0.459 1.00 0.00 C ATOM 0 H LEU A 36 -4.181 9.021 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.036 9.766 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.686 10.131 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.243 11.086 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.996 12.777 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.245 12.599 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.200 11.248 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.455 10.992 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.985 13.605 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.179 12.003 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.743 12.988 0.314 1.00 0.00 H new ATOM 567 N GLU A 37 -4.750 11.541 -4.198 1.00 0.00 N ATOM 568 CA GLU A 37 -3.939 12.522 -4.991 1.00 0.00 C ATOM 569 C GLU A 37 -2.439 12.312 -4.761 1.00 0.00 C ATOM 570 O GLU A 37 -1.775 13.130 -4.157 1.00 0.00 O ATOM 571 CB GLU A 37 -4.332 13.948 -4.592 1.00 0.00 C ATOM 572 CG GLU A 37 -5.720 14.265 -5.154 1.00 0.00 C ATOM 573 CD GLU A 37 -6.250 15.556 -4.529 1.00 0.00 C ATOM 574 OE1 GLU A 37 -6.328 15.613 -3.314 1.00 0.00 O ATOM 575 OE2 GLU A 37 -6.575 16.464 -5.278 1.00 0.00 O ATOM 0 H GLU A 37 -5.620 11.257 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.144 12.365 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.335 14.047 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.601 14.660 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.668 14.369 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.403 13.442 -4.945 1.00 0.00 H new ATOM 582 N PRO A 38 -1.912 11.217 -5.240 1.00 0.00 N ATOM 583 CA PRO A 38 -0.466 10.886 -5.087 1.00 0.00 C ATOM 584 C PRO A 38 0.442 11.938 -5.740 1.00 0.00 C ATOM 585 O PRO A 38 0.156 12.461 -6.800 1.00 0.00 O ATOM 586 CB PRO A 38 -0.320 9.510 -5.775 1.00 0.00 C ATOM 587 CG PRO A 38 -1.711 8.960 -5.852 1.00 0.00 C ATOM 588 CD PRO A 38 -2.632 10.169 -5.975 1.00 0.00 C ATOM 0 HA PRO A 38 -0.161 10.868 -4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.119 9.611 -6.768 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.333 8.851 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.822 8.296 -6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.950 8.376 -4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.794 10.447 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.612 9.974 -5.541 1.00 0.00 H new ATOM 596 N THR A 39 1.532 12.246 -5.098 1.00 0.00 N ATOM 597 CA THR A 39 2.482 13.259 -5.640 1.00 0.00 C ATOM 598 C THR A 39 3.412 12.595 -6.664 1.00 0.00 C ATOM 599 O THR A 39 4.030 13.256 -7.477 1.00 0.00 O ATOM 600 CB THR A 39 3.315 13.844 -4.487 1.00 0.00 C ATOM 601 OG1 THR A 39 4.610 14.179 -4.962 1.00 0.00 O ATOM 602 CG2 THR A 39 3.439 12.817 -3.356 1.00 0.00 C ATOM 0 H THR A 39 1.810 11.834 -4.208 1.00 0.00 H new ATOM 0 HA THR A 39 1.924 14.059 -6.127 1.00 0.00 H new ATOM 0 HB THR A 39 2.820 14.737 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.141 14.553 -4.228 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.030 13.240 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.446 12.561 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.929 11.919 -3.732 1.00 0.00 H new ATOM 610 N ILE A 40 3.522 11.298 -6.622 1.00 0.00 N ATOM 611 CA ILE A 40 4.420 10.590 -7.580 1.00 0.00 C ATOM 612 C ILE A 40 3.882 10.763 -9.005 1.00 0.00 C ATOM 613 O ILE A 40 4.440 10.252 -9.957 1.00 0.00 O ATOM 614 CB ILE A 40 4.481 9.103 -7.207 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.585 8.406 -8.011 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.135 8.435 -7.508 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.905 7.052 -7.372 1.00 0.00 C ATOM 0 H ILE A 40 3.028 10.694 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 40 5.425 11.010 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 40 4.700 9.016 -6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.265 8.266 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.479 9.029 -8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.185 7.379 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.350 8.920 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.911 8.530 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.690 6.556 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.243 7.204 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.010 6.430 -7.370 1.00 0.00 H new ATOM 629 N LEU A 41 2.810 11.491 -9.155 1.00 0.00 N ATOM 630 CA LEU A 41 2.235 11.712 -10.513 1.00 0.00 C ATOM 631 C LEU A 41 3.002 12.837 -11.208 1.00 0.00 C ATOM 632 O LEU A 41 2.882 13.039 -12.400 1.00 0.00 O ATOM 633 CB LEU A 41 0.768 12.121 -10.373 1.00 0.00 C ATOM 634 CG LEU A 41 -0.029 10.985 -9.717 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.462 11.458 -9.442 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.056 9.754 -10.643 1.00 0.00 C ATOM 0 H LEU A 41 2.305 11.944 -8.393 1.00 0.00 H new ATOM 0 HA LEU A 41 2.312 10.796 -11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.689 13.027 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.350 12.352 -11.353 1.00 0.00 H new ATOM 0 HG LEU A 41 0.450 10.709 -8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.028 10.652 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.439 12.319 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.938 11.741 -10.381 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.624 8.954 -10.168 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.527 10.021 -11.589 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.963 9.415 -10.828 1.00 0.00 H new ATOM 648 N ALA A 42 3.790 13.567 -10.469 1.00 0.00 N ATOM 649 CA ALA A 42 4.575 14.680 -11.076 1.00 0.00 C ATOM 650 C ALA A 42 5.992 14.194 -11.380 1.00 0.00 C ATOM 651 O ALA A 42 6.740 14.836 -12.092 1.00 0.00 O ATOM 652 CB ALA A 42 4.635 15.850 -10.094 1.00 0.00 C ATOM 0 H ALA A 42 3.925 13.441 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 42 4.097 15.005 -12.000 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.208 16.666 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.624 16.194 -9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.116 15.526 -9.171 1.00 0.00 H new ATOM 658 N LYS A 43 6.368 13.062 -10.838 1.00 0.00 N ATOM 659 CA LYS A 43 7.738 12.516 -11.083 1.00 0.00 C ATOM 660 C LYS A 43 7.644 11.301 -12.008 1.00 0.00 C ATOM 661 O LYS A 43 8.416 11.157 -12.938 1.00 0.00 O ATOM 662 CB LYS A 43 8.358 12.087 -9.750 1.00 0.00 C ATOM 663 CG LYS A 43 9.854 11.838 -9.943 1.00 0.00 C ATOM 664 CD LYS A 43 10.500 11.513 -8.595 1.00 0.00 C ATOM 665 CE LYS A 43 11.994 11.245 -8.798 1.00 0.00 C ATOM 666 NZ LYS A 43 12.708 12.539 -8.980 1.00 0.00 N ATOM 0 H LYS A 43 5.780 12.489 -10.232 1.00 0.00 H new ATOM 0 HA LYS A 43 8.358 13.283 -11.548 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.201 12.860 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.872 11.183 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.009 11.014 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.326 12.718 -10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.359 12.343 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.020 10.641 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.399 10.711 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.145 10.608 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.734 12.370 -8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.412 12.976 -9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.477 13.177 -8.192 1.00 0.00 H new ATOM 680 N GLU A 44 6.707 10.416 -11.754 1.00 0.00 N ATOM 681 CA GLU A 44 6.561 9.196 -12.613 1.00 0.00 C ATOM 682 C GLU A 44 5.088 8.966 -12.961 1.00 0.00 C ATOM 683 O GLU A 44 4.194 9.272 -12.194 1.00 0.00 O ATOM 684 CB GLU A 44 7.103 7.978 -11.862 1.00 0.00 C ATOM 685 CG GLU A 44 8.613 8.124 -11.667 1.00 0.00 C ATOM 686 CD GLU A 44 9.325 8.033 -13.021 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.674 7.672 -13.989 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.513 8.304 -13.062 1.00 0.00 O ATOM 0 H GLU A 44 6.037 10.486 -10.988 1.00 0.00 H new ATOM 0 HA GLU A 44 7.124 9.342 -13.535 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.609 7.885 -10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.885 7.068 -12.420 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.836 9.079 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.980 7.343 -11.000 1.00 0.00 H new ATOM 695 N SER A 45 4.837 8.431 -14.125 1.00 0.00 N ATOM 696 CA SER A 45 3.435 8.176 -14.564 1.00 0.00 C ATOM 697 C SER A 45 2.862 6.949 -13.847 1.00 0.00 C ATOM 698 O SER A 45 3.581 6.097 -13.364 1.00 0.00 O ATOM 699 CB SER A 45 3.416 7.934 -16.075 1.00 0.00 C ATOM 700 OG SER A 45 3.565 9.177 -16.748 1.00 0.00 O ATOM 0 H SER A 45 5.552 8.157 -14.798 1.00 0.00 H new ATOM 0 HA SER A 45 2.825 9.044 -14.316 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.221 7.255 -16.357 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.480 7.458 -16.368 1.00 0.00 H new ATOM 0 HG SER A 45 3.555 9.028 -17.717 1.00 0.00 H new ATOM 706 N THR A 46 1.560 6.865 -13.791 1.00 0.00 N ATOM 707 CA THR A 46 0.905 5.705 -13.126 1.00 0.00 C ATOM 708 C THR A 46 1.223 4.425 -13.906 1.00 0.00 C ATOM 709 O THR A 46 1.328 3.352 -13.344 1.00 0.00 O ATOM 710 CB THR A 46 -0.609 5.925 -13.112 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.055 6.200 -14.433 1.00 0.00 O ATOM 712 CG2 THR A 46 -0.951 7.106 -12.201 1.00 0.00 C ATOM 0 H THR A 46 0.919 7.556 -14.181 1.00 0.00 H new ATOM 0 HA THR A 46 1.274 5.611 -12.105 1.00 0.00 H new ATOM 0 HB THR A 46 -1.103 5.028 -12.737 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.834 6.794 -14.398 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.030 7.259 -12.194 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.608 6.896 -11.188 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.459 8.005 -12.571 1.00 0.00 H new ATOM 720 N ASP A 47 1.372 4.537 -15.195 1.00 0.00 N ATOM 721 CA ASP A 47 1.682 3.339 -16.025 1.00 0.00 C ATOM 722 C ASP A 47 3.128 2.906 -15.778 1.00 0.00 C ATOM 723 O ASP A 47 3.523 1.800 -16.093 1.00 0.00 O ATOM 724 CB ASP A 47 1.506 3.693 -17.502 1.00 0.00 C ATOM 725 CG ASP A 47 0.022 3.895 -17.813 1.00 0.00 C ATOM 726 OD1 ASP A 47 -0.789 3.602 -16.951 1.00 0.00 O ATOM 727 OD2 ASP A 47 -0.277 4.344 -18.908 1.00 0.00 O ATOM 0 H ASP A 47 1.292 5.412 -15.713 1.00 0.00 H new ATOM 0 HA ASP A 47 1.009 2.525 -15.757 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.063 4.600 -17.737 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.913 2.898 -18.127 1.00 0.00 H new ATOM 732 N ASP A 48 3.926 3.777 -15.223 1.00 0.00 N ATOM 733 CA ASP A 48 5.353 3.430 -14.957 1.00 0.00 C ATOM 734 C ASP A 48 5.466 2.786 -13.575 1.00 0.00 C ATOM 735 O ASP A 48 6.510 2.296 -13.188 1.00 0.00 O ATOM 736 CB ASP A 48 6.193 4.709 -14.993 1.00 0.00 C ATOM 737 CG ASP A 48 7.680 4.356 -15.061 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.994 3.278 -15.535 1.00 0.00 O ATOM 739 OD2 ASP A 48 8.481 5.172 -14.631 1.00 0.00 O ATOM 0 H ASP A 48 3.651 4.718 -14.941 1.00 0.00 H new ATOM 0 HA ASP A 48 5.712 2.733 -15.714 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.914 5.313 -15.857 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.994 5.310 -14.106 1.00 0.00 H new ATOM 744 N ILE A 49 4.397 2.784 -12.822 1.00 0.00 N ATOM 745 CA ILE A 49 4.442 2.173 -11.462 1.00 0.00 C ATOM 746 C ILE A 49 4.072 0.696 -11.548 1.00 0.00 C ATOM 747 O ILE A 49 3.003 0.336 -12.003 1.00 0.00 O ATOM 748 CB ILE A 49 3.460 2.894 -10.535 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.946 4.331 -10.319 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.388 2.162 -9.189 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.880 5.136 -9.569 1.00 0.00 C ATOM 0 H ILE A 49 3.496 3.179 -13.090 1.00 0.00 H new ATOM 0 HA ILE A 49 5.451 2.270 -11.062 1.00 0.00 H new ATOM 0 HB ILE A 49 2.467 2.905 -10.985 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.877 4.328 -9.752 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.159 4.800 -11.280 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.688 2.678 -8.531 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.049 1.139 -9.349 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.376 2.149 -8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.233 6.156 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.959 5.152 -10.152 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.688 4.673 -8.601 1.00 0.00 H new ATOM 763 N THR A 50 4.957 -0.160 -11.101 1.00 0.00 N ATOM 764 CA THR A 50 4.687 -1.627 -11.135 1.00 0.00 C ATOM 765 C THR A 50 4.838 -2.208 -9.729 1.00 0.00 C ATOM 766 O THR A 50 5.874 -2.104 -9.102 1.00 0.00 O ATOM 767 CB THR A 50 5.683 -2.302 -12.080 1.00 0.00 C ATOM 768 OG1 THR A 50 5.522 -1.769 -13.387 1.00 0.00 O ATOM 769 CG2 THR A 50 5.422 -3.808 -12.107 1.00 0.00 C ATOM 0 H THR A 50 5.863 0.099 -10.711 1.00 0.00 H new ATOM 0 HA THR A 50 3.671 -1.804 -11.489 1.00 0.00 H new ATOM 0 HB THR A 50 6.700 -2.119 -11.732 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.159 -2.197 -13.996 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.132 -4.288 -12.780 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.541 -4.216 -11.103 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.407 -3.995 -12.457 1.00 0.00 H new ATOM 777 N GLY A 51 3.802 -2.832 -9.242 1.00 0.00 N ATOM 778 CA GLY A 51 3.852 -3.450 -7.889 1.00 0.00 C ATOM 779 C GLY A 51 4.040 -2.390 -6.804 1.00 0.00 C ATOM 780 O GLY A 51 3.964 -1.201 -7.047 1.00 0.00 O ATOM 0 H GLY A 51 2.913 -2.941 -9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.931 -4.003 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.670 -4.169 -7.845 1.00 0.00 H new ATOM 784 N MET A 52 4.279 -2.828 -5.594 1.00 0.00 N ATOM 785 CA MET A 52 4.473 -1.881 -4.461 1.00 0.00 C ATOM 786 C MET A 52 5.575 -2.418 -3.548 1.00 0.00 C ATOM 787 O MET A 52 5.596 -3.585 -3.208 1.00 0.00 O ATOM 788 CB MET A 52 3.169 -1.753 -3.674 1.00 0.00 C ATOM 789 CG MET A 52 3.356 -0.754 -2.532 1.00 0.00 C ATOM 790 SD MET A 52 1.781 -0.514 -1.674 1.00 0.00 S ATOM 791 CE MET A 52 1.631 -2.180 -0.982 1.00 0.00 C ATOM 0 H MET A 52 4.348 -3.814 -5.343 1.00 0.00 H new ATOM 0 HA MET A 52 4.758 -0.900 -4.842 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.366 -1.422 -4.332 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.875 -2.725 -3.277 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.110 -1.120 -1.835 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.718 0.197 -2.923 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.193 -2.122 0.015 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.991 -2.785 -1.625 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.618 -2.638 -0.918 1.00 0.00 H new ATOM 801 N TYR A 53 6.499 -1.573 -3.155 1.00 0.00 N ATOM 802 CA TYR A 53 7.619 -2.027 -2.273 1.00 0.00 C ATOM 803 C TYR A 53 7.429 -1.460 -0.863 1.00 0.00 C ATOM 804 O TYR A 53 7.592 -0.278 -0.621 1.00 0.00 O ATOM 805 CB TYR A 53 8.943 -1.524 -2.855 1.00 0.00 C ATOM 806 CG TYR A 53 9.131 -2.109 -4.238 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.474 -1.537 -5.335 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.951 -3.229 -4.422 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.641 -2.081 -6.615 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.116 -3.774 -5.701 1.00 0.00 C ATOM 811 CZ TYR A 53 9.462 -3.199 -6.798 1.00 0.00 C ATOM 812 OH TYR A 53 9.627 -3.736 -8.060 1.00 0.00 O ATOM 0 H TYR A 53 6.525 -0.585 -3.409 1.00 0.00 H new ATOM 0 HA TYR A 53 7.628 -3.116 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.942 -0.435 -2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.772 -1.813 -2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.838 -0.676 -5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.456 -3.673 -3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.136 -1.637 -7.460 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.748 -4.638 -5.842 1.00 0.00 H new ATOM 0 HH TYR A 53 10.229 -4.508 -8.011 1.00 0.00 H new ATOM 822 N LEU A 54 7.097 -2.313 0.073 1.00 0.00 N ATOM 823 CA LEU A 54 6.899 -1.867 1.483 1.00 0.00 C ATOM 824 C LEU A 54 8.215 -2.030 2.229 1.00 0.00 C ATOM 825 O LEU A 54 8.677 -3.134 2.453 1.00 0.00 O ATOM 826 CB LEU A 54 5.835 -2.745 2.144 1.00 0.00 C ATOM 827 CG LEU A 54 4.532 -2.668 1.340 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.483 -3.573 1.989 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.021 -1.218 1.311 1.00 0.00 C ATOM 0 H LEU A 54 6.953 -3.311 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 54 6.578 -0.826 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.182 -3.777 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.662 -2.415 3.168 1.00 0.00 H new ATOM 0 HG LEU A 54 4.717 -2.999 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.555 -3.521 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.845 -4.601 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.300 -3.243 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.095 -1.170 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.836 -0.877 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.770 -0.578 0.845 1.00 0.00 H new ATOM 841 N ILE A 55 8.838 -0.937 2.601 1.00 0.00 N ATOM 842 CA ILE A 55 10.149 -1.019 3.313 1.00 0.00 C ATOM 843 C ILE A 55 9.986 -0.613 4.773 1.00 0.00 C ATOM 844 O ILE A 55 9.398 0.401 5.099 1.00 0.00 O ATOM 845 CB ILE A 55 11.154 -0.094 2.620 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.306 -0.515 1.139 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.511 -0.181 3.336 1.00 0.00 C ATOM 848 CD1 ILE A 55 12.318 -1.663 0.996 1.00 0.00 C ATOM 0 H ILE A 55 8.493 0.009 2.441 1.00 0.00 H new ATOM 0 HA ILE A 55 10.513 -2.046 3.281 1.00 0.00 H new ATOM 0 HB ILE A 55 10.796 0.934 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.339 -0.826 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.633 0.339 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.226 0.477 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.394 0.125 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.877 -1.207 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.407 -1.941 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.290 -1.340 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.976 -2.523 1.571 1.00 0.00 H new ATOM 860 N ASP A 56 10.508 -1.426 5.654 1.00 0.00 N ATOM 861 CA ASP A 56 10.407 -1.145 7.113 1.00 0.00 C ATOM 862 C ASP A 56 11.741 -1.471 7.787 1.00 0.00 C ATOM 863 O ASP A 56 12.774 -1.552 7.147 1.00 0.00 O ATOM 864 CB ASP A 56 9.311 -2.024 7.716 1.00 0.00 C ATOM 865 CG ASP A 56 7.958 -1.649 7.107 1.00 0.00 C ATOM 866 OD1 ASP A 56 7.760 -1.929 5.937 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.145 -1.089 7.822 1.00 0.00 O ATOM 0 H ASP A 56 11.007 -2.284 5.419 1.00 0.00 H new ATOM 0 HA ASP A 56 10.167 -0.093 7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.528 -3.075 7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.282 -1.896 8.798 1.00 0.00 H new ATOM 872 N ASP A 57 11.723 -1.655 9.079 1.00 0.00 N ATOM 873 CA ASP A 57 12.977 -1.966 9.817 1.00 0.00 C ATOM 874 C ASP A 57 13.309 -3.456 9.697 1.00 0.00 C ATOM 875 O ASP A 57 12.709 -4.301 10.331 1.00 0.00 O ATOM 876 CB ASP A 57 12.794 -1.584 11.286 1.00 0.00 C ATOM 877 CG ASP A 57 14.130 -1.678 12.023 1.00 0.00 C ATOM 878 OD1 ASP A 57 15.146 -1.804 11.359 1.00 0.00 O ATOM 879 OD2 ASP A 57 14.117 -1.618 13.243 1.00 0.00 O ATOM 0 H ASP A 57 10.885 -1.602 9.658 1.00 0.00 H new ATOM 0 HA ASP A 57 13.802 -1.397 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.399 -0.571 11.360 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.064 -2.245 11.754 1.00 0.00 H new ATOM 884 N GLU A 58 14.280 -3.760 8.880 1.00 0.00 N ATOM 885 CA GLU A 58 14.716 -5.171 8.672 1.00 0.00 C ATOM 886 C GLU A 58 13.565 -6.014 8.121 1.00 0.00 C ATOM 887 O GLU A 58 12.819 -6.632 8.855 1.00 0.00 O ATOM 888 CB GLU A 58 15.219 -5.779 9.983 1.00 0.00 C ATOM 889 CG GLU A 58 15.778 -7.181 9.708 1.00 0.00 C ATOM 890 CD GLU A 58 16.349 -7.776 10.997 1.00 0.00 C ATOM 891 OE1 GLU A 58 16.551 -7.024 11.936 1.00 0.00 O ATOM 892 OE2 GLU A 58 16.575 -8.974 11.023 1.00 0.00 O ATOM 0 H GLU A 58 14.802 -3.073 8.335 1.00 0.00 H new ATOM 0 HA GLU A 58 15.531 -5.168 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.992 -5.146 10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.406 -5.834 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.991 -7.826 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.555 -7.129 8.946 1.00 0.00 H new ATOM 899 N GLY A 59 13.443 -6.057 6.820 1.00 0.00 N ATOM 900 CA GLY A 59 12.370 -6.876 6.172 1.00 0.00 C ATOM 901 C GLY A 59 11.553 -6.014 5.210 1.00 0.00 C ATOM 902 O GLY A 59 11.275 -4.858 5.465 1.00 0.00 O ATOM 0 H GLY A 59 14.047 -5.554 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.816 -7.711 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.717 -7.301 6.934 1.00 0.00 H new ATOM 906 N GLU A 60 11.152 -6.585 4.105 1.00 0.00 N ATOM 907 CA GLU A 60 10.334 -5.830 3.114 1.00 0.00 C ATOM 908 C GLU A 60 9.388 -6.796 2.408 1.00 0.00 C ATOM 909 O GLU A 60 9.704 -7.953 2.205 1.00 0.00 O ATOM 910 CB GLU A 60 11.250 -5.157 2.087 1.00 0.00 C ATOM 911 CG GLU A 60 12.009 -6.213 1.280 1.00 0.00 C ATOM 912 CD GLU A 60 13.019 -5.516 0.365 1.00 0.00 C ATOM 913 OE1 GLU A 60 13.998 -5.003 0.878 1.00 0.00 O ATOM 914 OE2 GLU A 60 12.795 -5.510 -0.835 1.00 0.00 O ATOM 0 H GLU A 60 11.358 -7.550 3.846 1.00 0.00 H new ATOM 0 HA GLU A 60 9.756 -5.062 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.659 -4.532 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.956 -4.500 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.523 -6.901 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.312 -6.806 0.688 1.00 0.00 H new ATOM 921 N ILE A 61 8.224 -6.324 2.033 1.00 0.00 N ATOM 922 CA ILE A 61 7.231 -7.200 1.337 1.00 0.00 C ATOM 923 C ILE A 61 6.979 -6.669 -0.070 1.00 0.00 C ATOM 924 O ILE A 61 6.788 -5.487 -0.278 1.00 0.00 O ATOM 925 CB ILE A 61 5.919 -7.217 2.120 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.167 -7.853 3.490 1.00 0.00 C ATOM 927 CG2 ILE A 61 4.884 -8.041 1.349 1.00 0.00 C ATOM 928 CD1 ILE A 61 4.946 -7.649 4.389 1.00 0.00 C ATOM 0 H ILE A 61 7.917 -5.362 2.181 1.00 0.00 H new ATOM 0 HA ILE A 61 7.627 -8.214 1.277 1.00 0.00 H new ATOM 0 HB ILE A 61 5.547 -6.201 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.370 -8.918 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.048 -7.408 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.945 -8.057 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.719 -7.593 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.249 -9.060 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.130 -8.104 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.762 -6.582 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.074 -8.115 3.930 1.00 0.00 H new ATOM 940 N ILE A 62 6.990 -7.547 -1.044 1.00 0.00 N ATOM 941 CA ILE A 62 6.768 -7.121 -2.456 1.00 0.00 C ATOM 942 C ILE A 62 5.390 -7.589 -2.910 1.00 0.00 C ATOM 943 O ILE A 62 5.046 -8.751 -2.805 1.00 0.00 O ATOM 944 CB ILE A 62 7.837 -7.762 -3.343 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.228 -7.472 -2.761 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.745 -7.190 -4.759 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.397 -5.969 -2.511 1.00 0.00 C ATOM 0 H ILE A 62 7.145 -8.547 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 62 6.828 -6.035 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 62 7.676 -8.839 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.361 -8.020 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.998 -7.822 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.508 -7.649 -5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.759 -7.401 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.902 -6.112 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.388 -5.778 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.285 -5.429 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.639 -5.630 -1.805 1.00 0.00 H new ATOM 959 N THR A 63 4.595 -6.679 -3.418 1.00 0.00 N ATOM 960 CA THR A 63 3.226 -7.033 -3.896 1.00 0.00 C ATOM 961 C THR A 63 3.064 -6.578 -5.345 1.00 0.00 C ATOM 962 O THR A 63 3.277 -5.430 -5.680 1.00 0.00 O ATOM 963 CB THR A 63 2.189 -6.334 -3.016 1.00 0.00 C ATOM 964 OG1 THR A 63 2.308 -6.814 -1.683 1.00 0.00 O ATOM 965 CG2 THR A 63 0.787 -6.629 -3.546 1.00 0.00 C ATOM 0 H THR A 63 4.841 -5.695 -3.522 1.00 0.00 H new ATOM 0 HA THR A 63 3.081 -8.112 -3.838 1.00 0.00 H new ATOM 0 HB THR A 63 2.359 -5.257 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.520 -6.068 -1.084 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.048 -6.130 -2.918 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.700 -6.263 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.611 -7.705 -3.529 1.00 0.00 H new ATOM 973 N ARG A 64 2.688 -7.484 -6.207 1.00 0.00 N ATOM 974 CA ARG A 64 2.505 -7.140 -7.647 1.00 0.00 C ATOM 975 C ARG A 64 1.023 -6.882 -7.914 1.00 0.00 C ATOM 976 O ARG A 64 0.625 -6.546 -9.013 1.00 0.00 O ATOM 977 CB ARG A 64 2.987 -8.324 -8.493 1.00 0.00 C ATOM 978 CG ARG A 64 4.476 -8.597 -8.226 1.00 0.00 C ATOM 979 CD ARG A 64 5.348 -7.618 -9.025 1.00 0.00 C ATOM 980 NE ARG A 64 6.785 -7.838 -8.692 1.00 0.00 N ATOM 981 CZ ARG A 64 7.646 -6.862 -8.807 1.00 0.00 C ATOM 982 NH1 ARG A 64 7.259 -5.681 -9.214 1.00 0.00 N ATOM 983 NH2 ARG A 64 8.900 -7.067 -8.516 1.00 0.00 N ATOM 0 H ARG A 64 2.498 -8.458 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 64 3.076 -6.247 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.399 -9.211 -8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.833 -8.111 -9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.686 -8.496 -7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.720 -9.622 -8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.186 -7.761 -10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.064 -6.591 -8.794 1.00 0.00 H new ATOM 0 HE ARG A 64 7.097 -8.755 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.279 -5.517 -9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.937 -4.924 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.206 -7.987 -8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.575 -6.307 -8.605 1.00 0.00 H new ATOM 997 N GLU A 65 0.204 -7.032 -6.910 1.00 0.00 N ATOM 998 CA GLU A 65 -1.255 -6.796 -7.092 1.00 0.00 C ATOM 999 C GLU A 65 -1.555 -5.308 -6.916 1.00 0.00 C ATOM 1000 O GLU A 65 -2.078 -4.885 -5.900 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.031 -7.614 -6.059 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.887 -9.100 -6.392 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.591 -9.942 -5.328 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.172 -9.358 -4.426 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.536 -11.155 -5.430 1.00 0.00 O ATOM 0 H GLU A 65 0.484 -7.309 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.558 -7.103 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.651 -7.414 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.083 -7.327 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.316 -9.305 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.832 -9.370 -6.443 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.220 -4.508 -7.901 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.474 -3.036 -7.804 1.00 0.00 C ATOM 1014 C VAL A 66 -2.261 -2.577 -9.029 1.00 0.00 C ATOM 1015 O VAL A 66 -1.945 -2.915 -10.156 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.148 -2.283 -7.749 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.422 -0.776 -7.754 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.593 -2.666 -6.471 1.00 0.00 C ATOM 0 H VAL A 66 -0.781 -4.813 -8.770 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.044 -2.830 -6.898 1.00 0.00 H new ATOM 0 HB VAL A 66 0.462 -2.543 -8.614 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.523 -0.234 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.957 -0.507 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.027 -0.513 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.542 -2.131 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.014 -2.402 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.782 -3.740 -6.468 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.285 -1.794 -8.809 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.114 -1.275 -9.938 1.00 0.00 C ATOM 1030 C LYS A 67 -4.324 0.224 -9.744 1.00 0.00 C ATOM 1031 O LYS A 67 -4.496 0.705 -8.641 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.464 -1.997 -9.956 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.239 -3.464 -10.331 1.00 0.00 C ATOM 1034 CD LYS A 67 -6.577 -4.204 -10.366 1.00 0.00 C ATOM 1035 CE LYS A 67 -6.340 -5.663 -10.762 1.00 0.00 C ATOM 1036 NZ LYS A 67 -7.637 -6.393 -10.793 1.00 0.00 N ATOM 0 H LYS A 67 -3.586 -1.488 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.608 -1.453 -10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.941 -1.927 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.135 -1.524 -10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.752 -3.529 -11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.572 -3.935 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.058 -4.154 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.251 -3.727 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.862 -5.711 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.662 -6.137 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.471 -7.384 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.077 -6.359 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.270 -5.947 -11.487 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.287 0.968 -10.817 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.457 2.446 -10.722 1.00 0.00 C ATOM 1052 C GLY A 68 -5.932 2.820 -10.842 1.00 0.00 C ATOM 1053 O GLY A 68 -6.671 2.251 -11.623 1.00 0.00 O ATOM 0 H GLY A 68 -4.145 0.612 -11.762 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.061 2.804 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.886 2.936 -11.511 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.361 3.791 -10.074 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.784 4.238 -10.129 1.00 0.00 C ATOM 1059 C LYS A 69 -7.852 5.581 -10.850 1.00 0.00 C ATOM 1060 O LYS A 69 -7.263 6.564 -10.429 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.318 4.383 -8.702 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.227 3.032 -7.973 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.397 2.128 -8.390 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.353 0.830 -7.585 1.00 0.00 C ATOM 1065 NZ LYS A 69 -8.249 -0.033 -8.093 1.00 0.00 N ATOM 0 H LYS A 69 -5.779 4.296 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.389 3.508 -10.666 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.743 5.137 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.352 4.726 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.280 2.546 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.245 3.190 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.344 2.641 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.339 1.909 -9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.200 1.050 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.305 0.306 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.097 -0.825 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.503 -0.405 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.376 0.528 -8.168 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.564 5.615 -11.947 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.684 6.867 -12.746 1.00 0.00 C ATOM 1081 C PHE A 70 -10.083 7.453 -12.593 1.00 0.00 C ATOM 1082 O PHE A 70 -11.066 6.741 -12.503 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.450 6.541 -14.221 1.00 0.00 C ATOM 1084 CG PHE A 70 -6.989 6.243 -14.444 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.106 7.283 -14.757 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -6.519 4.930 -14.343 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -4.750 7.008 -14.967 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.164 4.654 -14.554 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.279 5.694 -14.866 1.00 0.00 C ATOM 0 H PHE A 70 -9.073 4.817 -12.326 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.947 7.588 -12.392 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.056 5.684 -14.516 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.760 7.380 -14.844 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.471 8.296 -14.836 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.202 4.129 -14.102 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.067 7.810 -15.207 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.801 3.640 -14.476 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.233 5.482 -15.029 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.168 8.758 -12.580 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.487 9.444 -12.452 1.00 0.00 C ATOM 1101 C ILE A 71 -11.700 10.338 -13.672 1.00 0.00 C ATOM 1102 O ILE A 71 -10.832 11.094 -14.057 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.495 10.297 -11.184 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.253 9.398 -9.959 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.839 11.015 -11.049 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -12.322 8.300 -9.858 1.00 0.00 C ATOM 0 H ILE A 71 -9.367 9.386 -12.654 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.286 8.705 -12.393 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.702 11.042 -11.245 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.265 8.943 -10.028 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.262 10.003 -9.053 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.838 11.621 -10.143 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.997 11.657 -11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.641 10.279 -10.992 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.125 7.680 -8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.307 8.758 -9.764 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.294 7.681 -10.755 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.852 10.237 -14.279 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.164 11.061 -15.484 1.00 0.00 C ATOM 1120 C ASN A 72 -12.125 10.804 -16.580 1.00 0.00 C ATOM 1121 O ASN A 72 -12.025 11.538 -17.544 1.00 0.00 O ATOM 1122 CB ASN A 72 -13.179 12.552 -15.116 1.00 0.00 C ATOM 1123 CG ASN A 72 -14.409 12.846 -14.259 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.357 12.084 -14.253 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -14.435 13.926 -13.530 1.00 0.00 N ATOM 0 H ASN A 72 -13.601 9.609 -13.987 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.149 10.779 -15.856 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.271 12.814 -14.572 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.196 13.162 -16.019 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.251 14.133 -12.954 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.640 14.564 -13.536 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.359 9.752 -16.445 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.332 9.425 -17.479 1.00 0.00 C ATOM 1134 C GLY A 73 -8.974 9.951 -17.028 1.00 0.00 C ATOM 1135 O GLY A 73 -7.946 9.543 -17.532 1.00 0.00 O ATOM 0 H GLY A 73 -11.401 9.103 -15.659 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.284 8.347 -17.632 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.608 9.870 -18.435 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.959 10.862 -16.084 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.661 11.428 -15.608 1.00 0.00 C ATOM 1141 C ARG A 74 -7.247 10.759 -14.288 1.00 0.00 C ATOM 1142 O ARG A 74 -8.085 10.345 -13.510 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.813 12.938 -15.388 1.00 0.00 C ATOM 1144 CG ARG A 74 -9.020 13.225 -14.492 1.00 0.00 C ATOM 1145 CD ARG A 74 -9.001 14.698 -14.068 1.00 0.00 C ATOM 1146 NE ARG A 74 -10.041 14.931 -13.027 1.00 0.00 N ATOM 1147 CZ ARG A 74 -9.964 15.966 -12.232 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -8.972 16.810 -12.335 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -10.885 16.158 -11.329 1.00 0.00 N ATOM 0 H ARG A 74 -9.789 11.236 -15.624 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.894 11.241 -16.359 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.908 13.339 -14.931 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.935 13.442 -16.347 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.944 13.001 -15.025 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.995 12.582 -13.612 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.017 14.963 -13.680 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.186 15.338 -14.931 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.819 14.278 -12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.249 16.664 -13.040 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.920 17.615 -11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.662 15.502 -11.245 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.829 16.964 -10.707 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.961 10.659 -14.035 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.433 10.037 -12.782 1.00 0.00 C ATOM 1165 C PRO A 75 -5.858 10.811 -11.530 1.00 0.00 C ATOM 1166 O PRO A 75 -5.934 12.024 -11.527 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.901 10.077 -12.967 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.660 11.153 -13.976 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.865 11.123 -14.904 1.00 0.00 C ATOM 0 HA PRO A 75 -5.818 9.028 -12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.396 10.298 -12.027 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.521 9.117 -13.316 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.560 12.126 -13.495 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.737 10.974 -14.527 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.074 12.108 -15.321 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.707 10.448 -15.745 1.00 0.00 H new ATOM 1177 N THR A 76 -6.136 10.112 -10.464 1.00 0.00 N ATOM 1178 CA THR A 76 -6.558 10.794 -9.209 1.00 0.00 C ATOM 1179 C THR A 76 -6.102 9.984 -7.996 1.00 0.00 C ATOM 1180 O THR A 76 -5.657 10.534 -7.005 1.00 0.00 O ATOM 1181 CB THR A 76 -8.080 10.907 -9.191 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.531 11.357 -10.459 1.00 0.00 O ATOM 1183 CG2 THR A 76 -8.519 11.893 -8.108 1.00 0.00 C ATOM 0 H THR A 76 -6.089 9.095 -10.408 1.00 0.00 H new ATOM 0 HA THR A 76 -6.107 11.786 -9.169 1.00 0.00 H new ATOM 0 HB THR A 76 -8.512 9.930 -8.974 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.014 12.203 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.606 11.967 -8.103 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.174 11.542 -7.135 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.090 12.874 -8.313 1.00 0.00 H new ATOM 1191 N ALA A 77 -6.222 8.678 -8.042 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.806 7.865 -6.857 1.00 0.00 C ATOM 1193 C ALA A 77 -5.335 6.476 -7.282 1.00 0.00 C ATOM 1194 O ALA A 77 -5.574 6.028 -8.386 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.992 7.720 -5.899 1.00 0.00 C ATOM 0 H ALA A 77 -6.584 8.148 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.980 8.377 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.691 7.128 -5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.315 8.707 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.815 7.222 -6.412 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.661 5.793 -6.388 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.152 4.418 -6.687 1.00 0.00 C ATOM 1203 C ILE A 78 -4.644 3.465 -5.607 1.00 0.00 C ATOM 1204 O ILE A 78 -4.889 3.856 -4.483 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.619 4.431 -6.701 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.142 5.279 -7.882 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.088 3.001 -6.850 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.632 5.503 -7.786 1.00 0.00 C ATOM 0 H ILE A 78 -4.440 6.135 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.516 4.092 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.248 4.852 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.386 4.781 -8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.661 6.237 -7.886 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.998 3.017 -6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.435 2.395 -6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.453 2.573 -7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.299 6.107 -8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.399 6.020 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.120 4.541 -7.804 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.797 2.212 -5.936 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.282 1.225 -4.931 1.00 0.00 C ATOM 1222 C GLU A 79 -4.439 -0.026 -5.023 1.00 0.00 C ATOM 1223 O GLU A 79 -4.015 -0.426 -6.084 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.745 0.873 -5.213 1.00 0.00 C ATOM 1225 CG GLU A 79 -7.281 -0.073 -4.128 1.00 0.00 C ATOM 1226 CD GLU A 79 -7.370 0.665 -2.791 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -7.171 1.868 -2.786 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -7.631 0.016 -1.794 1.00 0.00 O ATOM 0 H GLU A 79 -4.606 1.828 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.203 1.654 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.346 1.782 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.831 0.401 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.264 -0.447 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.626 -0.939 -4.032 1.00 0.00 H new ATOM 1235 N ALA A 80 -4.205 -0.659 -3.910 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.397 -1.901 -3.935 1.00 0.00 C ATOM 1237 C ALA A 80 -3.982 -2.918 -2.981 1.00 0.00 C ATOM 1238 O ALA A 80 -4.681 -2.605 -2.032 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.941 -1.599 -3.595 1.00 0.00 C ATOM 0 H ALA A 80 -4.537 -0.370 -2.990 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.423 -2.321 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.363 -2.523 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.535 -0.898 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.883 -1.160 -2.599 1.00 0.00 H new ATOM 1245 N THR A 81 -3.734 -4.148 -3.297 1.00 0.00 N ATOM 1246 CA THR A 81 -4.270 -5.279 -2.528 1.00 0.00 C ATOM 1247 C THR A 81 -3.132 -6.205 -2.117 1.00 0.00 C ATOM 1248 O THR A 81 -2.304 -6.582 -2.919 1.00 0.00 O ATOM 1249 CB THR A 81 -5.213 -6.012 -3.466 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.250 -5.128 -3.862 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.803 -7.225 -2.769 1.00 0.00 C ATOM 0 H THR A 81 -3.156 -4.421 -4.092 1.00 0.00 H new ATOM 0 HA THR A 81 -4.779 -4.946 -1.624 1.00 0.00 H new ATOM 0 HB THR A 81 -4.664 -6.350 -4.345 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.862 -5.593 -4.469 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.478 -7.744 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.000 -7.899 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.355 -6.904 -1.886 1.00 0.00 H new ATOM 1259 N VAL A 82 -3.098 -6.574 -0.864 1.00 0.00 N ATOM 1260 CA VAL A 82 -2.031 -7.484 -0.359 1.00 0.00 C ATOM 1261 C VAL A 82 -2.690 -8.749 0.187 1.00 0.00 C ATOM 1262 O VAL A 82 -3.637 -8.696 0.946 1.00 0.00 O ATOM 1263 CB VAL A 82 -1.240 -6.774 0.735 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.339 -7.781 1.452 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.378 -5.686 0.091 1.00 0.00 C ATOM 0 H VAL A 82 -3.774 -6.279 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.345 -7.754 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.924 -6.329 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.226 -7.272 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.952 -8.564 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.352 -8.225 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.193 -5.170 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.307 -6.141 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.019 -4.971 -0.424 1.00 0.00 H new ATOM 1275 N ILE A 83 -2.197 -9.887 -0.217 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.784 -11.176 0.242 1.00 0.00 C ATOM 1277 C ILE A 83 -2.130 -11.608 1.557 1.00 0.00 C ATOM 1278 O ILE A 83 -0.923 -11.699 1.667 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.537 -12.231 -0.835 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.958 -11.666 -2.201 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -3.354 -13.489 -0.531 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.384 -11.107 -2.128 1.00 0.00 C ATOM 0 H ILE A 83 -1.404 -9.979 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.855 -11.059 0.410 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.478 -12.489 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.267 -10.880 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.905 -12.448 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.172 -14.236 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.058 -13.890 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.415 -13.238 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.670 -10.710 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.073 -11.903 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.425 -10.310 -1.385 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.935 -11.878 2.556 1.00 0.00 N ATOM 1295 CA LEU A 84 -2.407 -12.315 3.884 1.00 0.00 C ATOM 1296 C LEU A 84 -2.963 -13.706 4.198 1.00 0.00 C ATOM 1297 O LEU A 84 -3.355 -13.997 5.313 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.861 -11.317 4.958 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.399 -9.903 4.581 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.891 -8.911 5.639 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.862 -9.855 4.501 1.00 0.00 C ATOM 0 H LEU A 84 -3.952 -11.813 2.505 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.318 -12.351 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.946 -11.341 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.448 -11.598 5.927 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.812 -9.636 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.565 -7.905 5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.980 -8.939 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.479 -9.182 6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.543 -8.848 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.439 -10.124 5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.515 -10.559 3.745 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.999 -14.565 3.216 1.00 0.00 N ATOM 1314 CA ASN A 85 -3.527 -15.942 3.433 1.00 0.00 C ATOM 1315 C ASN A 85 -2.632 -16.677 4.436 1.00 0.00 C ATOM 1316 O ASN A 85 -3.099 -17.417 5.281 1.00 0.00 O ATOM 1317 CB ASN A 85 -3.517 -16.702 2.102 1.00 0.00 C ATOM 1318 CG ASN A 85 -4.667 -16.215 1.215 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -5.478 -15.297 1.661 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -4.818 -16.666 0.097 1.00 0.00 N flip ATOM 0 H ASN A 85 -2.683 -14.370 2.266 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.544 -15.886 3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.565 -16.550 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.614 -17.772 2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.184 -17.384 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.579 -16.326 -0.492 1.00 0.00 H new ATOM 1327 N SER A 86 -1.343 -16.489 4.336 1.00 0.00 N ATOM 1328 CA SER A 86 -0.409 -17.191 5.262 1.00 0.00 C ATOM 1329 C SER A 86 -0.369 -16.469 6.618 1.00 0.00 C ATOM 1330 O SER A 86 -0.704 -15.306 6.733 1.00 0.00 O ATOM 1331 CB SER A 86 0.994 -17.219 4.639 1.00 0.00 C ATOM 1332 OG SER A 86 0.876 -17.204 3.225 1.00 0.00 O ATOM 0 H SER A 86 -0.897 -15.878 3.652 1.00 0.00 H new ATOM 0 HA SER A 86 -0.756 -18.212 5.422 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.572 -16.359 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.531 -18.111 4.962 1.00 0.00 H new ATOM 0 HG SER A 86 1.769 -17.220 2.822 1.00 0.00 H new ATOM 1338 N GLN A 87 0.032 -17.173 7.640 1.00 0.00 N ATOM 1339 CA GLN A 87 0.097 -16.573 9.003 1.00 0.00 C ATOM 1340 C GLN A 87 1.374 -15.723 9.168 1.00 0.00 C ATOM 1341 O GLN A 87 1.331 -14.661 9.754 1.00 0.00 O ATOM 1342 CB GLN A 87 0.057 -17.701 10.060 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.610 -18.951 9.466 1.00 0.00 C ATOM 1344 CD GLN A 87 -1.939 -18.566 8.808 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -2.798 -17.984 9.442 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -2.147 -18.865 7.553 1.00 0.00 N ATOM 0 H GLN A 87 0.321 -18.150 7.588 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.761 -15.915 9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.069 -17.939 10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.494 -17.368 10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.050 -19.412 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.782 -19.690 10.249 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.428 -19.353 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.028 -18.610 7.107 1.00 0.00 H new ATOM 1355 N PRO A 88 2.501 -16.182 8.677 1.00 0.00 N ATOM 1356 CA PRO A 88 3.782 -15.427 8.808 1.00 0.00 C ATOM 1357 C PRO A 88 3.657 -14.015 8.225 1.00 0.00 C ATOM 1358 O PRO A 88 4.207 -13.061 8.739 1.00 0.00 O ATOM 1359 CB PRO A 88 4.802 -16.259 8.007 1.00 0.00 C ATOM 1360 CG PRO A 88 4.205 -17.629 7.894 1.00 0.00 C ATOM 1361 CD PRO A 88 2.685 -17.442 7.937 1.00 0.00 C ATOM 0 HA PRO A 88 4.075 -15.296 9.850 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.975 -15.825 7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.766 -16.292 8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.511 -18.111 6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.541 -18.268 8.711 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.262 -17.381 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.195 -18.275 8.440 1.00 0.00 H new ATOM 1369 N GLU A 89 2.935 -13.889 7.143 1.00 0.00 N ATOM 1370 CA GLU A 89 2.762 -12.556 6.502 1.00 0.00 C ATOM 1371 C GLU A 89 1.920 -11.658 7.413 1.00 0.00 C ATOM 1372 O GLU A 89 2.172 -10.475 7.541 1.00 0.00 O ATOM 1373 CB GLU A 89 2.056 -12.730 5.152 1.00 0.00 C ATOM 1374 CG GLU A 89 2.990 -13.447 4.169 1.00 0.00 C ATOM 1375 CD GLU A 89 2.261 -13.695 2.846 1.00 0.00 C ATOM 1376 OE1 GLU A 89 1.118 -13.284 2.732 1.00 0.00 O ATOM 1377 OE2 GLU A 89 2.861 -14.294 1.966 1.00 0.00 O ATOM 0 H GLU A 89 2.456 -14.658 6.674 1.00 0.00 H new ATOM 0 HA GLU A 89 3.737 -12.095 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.139 -13.304 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.769 -11.757 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.882 -12.845 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.323 -14.394 4.594 1.00 0.00 H new ATOM 1384 N TRP A 90 0.921 -12.210 8.040 1.00 0.00 N ATOM 1385 CA TRP A 90 0.056 -11.393 8.940 1.00 0.00 C ATOM 1386 C TRP A 90 0.907 -10.823 10.081 1.00 0.00 C ATOM 1387 O TRP A 90 0.742 -9.688 10.488 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.072 -12.291 9.513 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.385 -11.938 8.891 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -3.154 -12.779 8.169 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.078 -10.661 8.917 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -4.283 -12.100 7.753 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.282 -10.789 8.189 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -2.783 -9.415 9.502 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.164 -9.717 8.042 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -3.667 -8.335 9.355 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -4.856 -8.486 8.627 1.00 0.00 C ATOM 0 H TRP A 90 0.664 -13.194 7.969 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.389 -10.569 8.383 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.843 -13.340 9.323 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.130 -12.168 10.594 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.925 -13.812 7.952 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.027 -12.516 7.192 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -1.871 -9.290 10.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.078 -9.838 7.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.430 -7.382 9.805 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.533 -7.652 8.519 1.00 0.00 H new ATOM 1408 N ASP A 91 1.802 -11.606 10.608 1.00 0.00 N ATOM 1409 CA ASP A 91 2.651 -11.115 11.727 1.00 0.00 C ATOM 1410 C ASP A 91 3.457 -9.906 11.253 1.00 0.00 C ATOM 1411 O ASP A 91 3.562 -8.907 11.937 1.00 0.00 O ATOM 1412 CB ASP A 91 3.599 -12.228 12.166 1.00 0.00 C ATOM 1413 CG ASP A 91 4.468 -11.733 13.323 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.390 -10.556 13.635 1.00 0.00 O ATOM 1415 OD2 ASP A 91 5.197 -12.538 13.880 1.00 0.00 O ATOM 0 H ASP A 91 1.983 -12.565 10.313 1.00 0.00 H new ATOM 0 HA ASP A 91 2.023 -10.824 12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.029 -13.104 12.475 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.228 -12.535 11.330 1.00 0.00 H new ATOM 1420 N ARG A 92 4.024 -9.991 10.082 1.00 0.00 N ATOM 1421 CA ARG A 92 4.816 -8.847 9.550 1.00 0.00 C ATOM 1422 C ARG A 92 3.869 -7.696 9.214 1.00 0.00 C ATOM 1423 O ARG A 92 4.174 -6.539 9.429 1.00 0.00 O ATOM 1424 CB ARG A 92 5.555 -9.280 8.284 1.00 0.00 C ATOM 1425 CG ARG A 92 6.686 -10.240 8.648 1.00 0.00 C ATOM 1426 CD ARG A 92 7.418 -10.677 7.376 1.00 0.00 C ATOM 1427 NE ARG A 92 8.525 -11.609 7.738 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.473 -11.869 6.879 1.00 0.00 C ATOM 1429 NH1 ARG A 92 9.470 -11.305 5.703 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.432 -12.695 7.201 1.00 0.00 N ATOM 0 H ARG A 92 3.973 -10.805 9.469 1.00 0.00 H new ATOM 0 HA ARG A 92 5.540 -8.524 10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.863 -9.764 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.958 -8.407 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.382 -9.755 9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.285 -11.111 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.724 -11.167 6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.816 -9.806 6.855 1.00 0.00 H new ATOM 0 HE ARG A 92 8.541 -12.045 8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.724 -10.657 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.213 -11.512 5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.439 -13.135 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.174 -12.900 6.532 1.00 0.00 H new ATOM 1444 N PHE A 93 2.723 -8.011 8.678 1.00 0.00 N ATOM 1445 CA PHE A 93 1.743 -6.949 8.320 1.00 0.00 C ATOM 1446 C PHE A 93 1.323 -6.200 9.584 1.00 0.00 C ATOM 1447 O PHE A 93 1.268 -4.986 9.615 1.00 0.00 O ATOM 1448 CB PHE A 93 0.511 -7.597 7.687 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.424 -6.525 7.182 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -1.380 -5.969 8.042 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.331 -6.085 5.858 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -2.244 -4.971 7.573 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.193 -5.088 5.391 1.00 0.00 C ATOM 1454 CZ PHE A 93 -2.150 -4.531 6.248 1.00 0.00 C ATOM 0 H PHE A 93 2.422 -8.963 8.472 1.00 0.00 H new ATOM 0 HA PHE A 93 2.198 -6.252 7.616 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.812 -8.247 6.866 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.001 -8.223 8.419 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.451 -6.309 9.065 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.406 -6.515 5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.982 -4.541 8.234 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.121 -4.747 4.369 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.816 -3.761 5.886 1.00 0.00 H new ATOM 1464 N MET A 94 1.019 -6.922 10.626 1.00 0.00 N ATOM 1465 CA MET A 94 0.598 -6.264 11.894 1.00 0.00 C ATOM 1466 C MET A 94 1.743 -5.401 12.429 1.00 0.00 C ATOM 1467 O MET A 94 1.553 -4.262 12.808 1.00 0.00 O ATOM 1468 CB MET A 94 0.256 -7.338 12.928 1.00 0.00 C ATOM 1469 CG MET A 94 -0.213 -6.668 14.221 1.00 0.00 C ATOM 1470 SD MET A 94 -0.753 -7.929 15.403 1.00 0.00 S ATOM 1471 CE MET A 94 -2.056 -6.954 16.192 1.00 0.00 C ATOM 0 H MET A 94 1.044 -7.941 10.654 1.00 0.00 H new ATOM 0 HA MET A 94 -0.274 -5.638 11.706 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.524 -7.995 12.542 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.129 -7.961 13.124 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.596 -6.077 14.650 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.032 -5.980 14.009 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.534 -7.548 16.971 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.622 -6.058 16.635 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.798 -6.668 15.447 1.00 0.00 H new ATOM 1481 N ARG A 95 2.928 -5.941 12.462 1.00 0.00 N ATOM 1482 CA ARG A 95 4.092 -5.162 12.968 1.00 0.00 C ATOM 1483 C ARG A 95 4.370 -3.989 12.024 1.00 0.00 C ATOM 1484 O ARG A 95 4.653 -2.885 12.448 1.00 0.00 O ATOM 1485 CB ARG A 95 5.319 -6.077 13.029 1.00 0.00 C ATOM 1486 CG ARG A 95 5.153 -7.088 14.168 1.00 0.00 C ATOM 1487 CD ARG A 95 6.319 -8.083 14.155 1.00 0.00 C ATOM 1488 NE ARG A 95 7.605 -7.352 14.381 1.00 0.00 N ATOM 1489 CZ ARG A 95 8.726 -7.793 13.862 1.00 0.00 C ATOM 1490 NH1 ARG A 95 8.740 -8.885 13.143 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.837 -7.140 14.067 1.00 0.00 N ATOM 0 H ARG A 95 3.142 -6.891 12.159 1.00 0.00 H new ATOM 0 HA ARG A 95 3.874 -4.777 13.964 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.442 -6.600 12.081 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.220 -5.484 13.185 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.118 -6.568 15.125 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.208 -7.620 14.059 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.176 -8.836 14.930 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.351 -8.609 13.201 1.00 0.00 H new ATOM 0 HE ARG A 95 7.610 -6.502 14.945 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.875 -9.401 12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.616 -9.221 12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.832 -6.289 14.630 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.710 -7.480 13.665 1.00 0.00 H new ATOM 1505 N PHE A 96 4.292 -4.228 10.746 1.00 0.00 N ATOM 1506 CA PHE A 96 4.547 -3.142 9.757 1.00 0.00 C ATOM 1507 C PHE A 96 3.478 -2.058 9.913 1.00 0.00 C ATOM 1508 O PHE A 96 3.767 -0.877 9.949 1.00 0.00 O ATOM 1509 CB PHE A 96 4.481 -3.731 8.335 1.00 0.00 C ATOM 1510 CG PHE A 96 5.826 -4.307 7.937 1.00 0.00 C ATOM 1511 CD1 PHE A 96 6.561 -5.080 8.845 1.00 0.00 C ATOM 1512 CD2 PHE A 96 6.339 -4.062 6.654 1.00 0.00 C ATOM 1513 CE1 PHE A 96 7.801 -5.604 8.476 1.00 0.00 C ATOM 1514 CE2 PHE A 96 7.582 -4.590 6.286 1.00 0.00 C ATOM 1515 CZ PHE A 96 8.313 -5.360 7.196 1.00 0.00 C ATOM 0 H PHE A 96 4.061 -5.135 10.340 1.00 0.00 H new ATOM 0 HA PHE A 96 5.532 -2.707 9.927 1.00 0.00 H new ATOM 0 HB2 PHE A 96 3.718 -4.509 8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.187 -2.956 7.627 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.167 -5.271 9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.775 -3.467 5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.366 -6.198 9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.977 -4.403 5.298 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.272 -5.766 6.911 1.00 0.00 H new ATOM 1525 N MET A 97 2.243 -2.458 9.993 1.00 0.00 N ATOM 1526 CA MET A 97 1.140 -1.470 10.134 1.00 0.00 C ATOM 1527 C MET A 97 1.300 -0.709 11.450 1.00 0.00 C ATOM 1528 O MET A 97 1.070 0.483 11.524 1.00 0.00 O ATOM 1529 CB MET A 97 -0.199 -2.208 10.129 1.00 0.00 C ATOM 1530 CG MET A 97 -1.339 -1.193 10.204 1.00 0.00 C ATOM 1531 SD MET A 97 -2.928 -2.052 10.062 1.00 0.00 S ATOM 1532 CE MET A 97 -3.135 -2.440 11.816 1.00 0.00 C ATOM 0 H MET A 97 1.947 -3.434 9.967 1.00 0.00 H new ATOM 0 HA MET A 97 1.172 -0.764 9.304 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.292 -2.809 9.225 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.252 -2.894 10.975 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.292 -0.647 11.146 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.239 -0.458 9.405 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.070 -2.981 11.961 1.00 0.00 H new ATOM 0 HE2 MET A 97 -2.302 -3.058 12.153 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.158 -1.515 12.393 1.00 0.00 H new ATOM 1542 N GLU A 98 1.687 -1.393 12.488 1.00 0.00 N ATOM 1543 CA GLU A 98 1.862 -0.721 13.805 1.00 0.00 C ATOM 1544 C GLU A 98 3.024 0.272 13.720 1.00 0.00 C ATOM 1545 O GLU A 98 2.964 1.365 14.251 1.00 0.00 O ATOM 1546 CB GLU A 98 2.168 -1.781 14.867 1.00 0.00 C ATOM 1547 CG GLU A 98 2.273 -1.121 16.243 1.00 0.00 C ATOM 1548 CD GLU A 98 2.498 -2.190 17.315 1.00 0.00 C ATOM 1549 OE1 GLU A 98 2.274 -3.354 17.020 1.00 0.00 O ATOM 1550 OE2 GLU A 98 2.889 -1.828 18.412 1.00 0.00 O ATOM 0 H GLU A 98 1.891 -2.392 12.482 1.00 0.00 H new ATOM 0 HA GLU A 98 0.951 -0.185 14.072 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.383 -2.538 14.875 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.101 -2.291 14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.095 -0.406 16.252 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.362 -0.562 16.459 1.00 0.00 H new ATOM 1557 N ARG A 99 4.079 -0.103 13.055 1.00 0.00 N ATOM 1558 CA ARG A 99 5.250 0.809 12.926 1.00 0.00 C ATOM 1559 C ARG A 99 4.855 2.035 12.099 1.00 0.00 C ATOM 1560 O ARG A 99 5.217 3.154 12.407 1.00 0.00 O ATOM 1561 CB ARG A 99 6.391 0.073 12.218 1.00 0.00 C ATOM 1562 CG ARG A 99 7.697 0.886 12.330 1.00 0.00 C ATOM 1563 CD ARG A 99 8.436 0.517 13.623 1.00 0.00 C ATOM 1564 NE ARG A 99 8.861 -0.911 13.555 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.286 -1.525 14.627 1.00 0.00 C ATOM 1566 NH1 ARG A 99 9.341 -0.898 15.770 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.657 -2.775 14.555 1.00 0.00 N ATOM 0 H ARG A 99 4.182 -1.006 12.593 1.00 0.00 H new ATOM 0 HA ARG A 99 5.574 1.125 13.918 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.528 -0.913 12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.139 -0.082 11.169 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.334 0.687 11.468 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.473 1.953 12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.305 1.161 13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.787 0.675 14.485 1.00 0.00 H new ATOM 0 HE ARG A 99 8.820 -1.411 12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.051 0.078 15.831 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.674 -1.384 16.603 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.614 -3.269 13.664 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.989 -3.257 15.390 1.00 0.00 H new ATOM 1581 N TYR A 100 4.125 1.823 11.040 1.00 0.00 N ATOM 1582 CA TYR A 100 3.705 2.962 10.178 1.00 0.00 C ATOM 1583 C TYR A 100 2.875 3.943 11.007 1.00 0.00 C ATOM 1584 O TYR A 100 3.073 5.140 10.960 1.00 0.00 O ATOM 1585 CB TYR A 100 2.844 2.429 9.031 1.00 0.00 C ATOM 1586 CG TYR A 100 2.337 3.582 8.201 1.00 0.00 C ATOM 1587 CD1 TYR A 100 3.140 4.118 7.188 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.067 4.116 8.446 1.00 0.00 C ATOM 1589 CE1 TYR A 100 2.674 5.190 6.418 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.599 5.188 7.675 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.404 5.725 6.663 1.00 0.00 C ATOM 1592 OH TYR A 100 0.943 6.782 5.905 1.00 0.00 O ATOM 0 H TYR A 100 3.800 0.906 10.733 1.00 0.00 H new ATOM 0 HA TYR A 100 4.586 3.467 9.781 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.428 1.750 8.410 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.005 1.857 9.428 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.120 3.704 7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.448 3.702 9.229 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.293 5.604 5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.382 5.600 7.861 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.033 6.734 5.837 1.00 0.00 H new ATOM 1602 N GLY A 101 1.940 3.438 11.761 1.00 0.00 N ATOM 1603 CA GLY A 101 1.085 4.329 12.597 1.00 0.00 C ATOM 1604 C GLY A 101 1.939 4.996 13.677 1.00 0.00 C ATOM 1605 O GLY A 101 1.801 6.171 13.960 1.00 0.00 O ATOM 0 H GLY A 101 1.729 2.443 11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.613 5.088 11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.283 3.752 13.058 1.00 0.00 H new ATOM 1609 N ALA A 102 2.817 4.249 14.286 1.00 0.00 N ATOM 1610 CA ALA A 102 3.682 4.825 15.354 1.00 0.00 C ATOM 1611 C ALA A 102 4.590 5.906 14.761 1.00 0.00 C ATOM 1612 O ALA A 102 4.692 7.003 15.277 1.00 0.00 O ATOM 1613 CB ALA A 102 4.549 3.713 15.944 1.00 0.00 C ATOM 0 H ALA A 102 2.974 3.260 14.089 1.00 0.00 H new ATOM 0 HA ALA A 102 3.056 5.266 16.130 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.186 4.125 16.727 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.909 2.938 16.367 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.171 3.282 15.160 1.00 0.00 H new ATOM 1619 N GLU A 103 5.253 5.596 13.682 1.00 0.00 N ATOM 1620 CA GLU A 103 6.161 6.591 13.045 1.00 0.00 C ATOM 1621 C GLU A 103 5.337 7.702 12.398 1.00 0.00 C ATOM 1622 O GLU A 103 5.660 8.869 12.495 1.00 0.00 O ATOM 1623 CB GLU A 103 6.994 5.896 11.967 1.00 0.00 C ATOM 1624 CG GLU A 103 7.959 4.906 12.623 1.00 0.00 C ATOM 1625 CD GLU A 103 8.739 4.156 11.541 1.00 0.00 C ATOM 1626 OE1 GLU A 103 8.541 4.457 10.376 1.00 0.00 O ATOM 1627 OE2 GLU A 103 9.521 3.291 11.898 1.00 0.00 O ATOM 0 H GLU A 103 5.205 4.692 13.212 1.00 0.00 H new ATOM 0 HA GLU A 103 6.816 7.019 13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.340 5.374 11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.551 6.635 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.648 5.436 13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.406 4.200 13.242 1.00 0.00 H new ATOM 1634 N ASN A 104 4.272 7.339 11.728 1.00 0.00 N ATOM 1635 CA ASN A 104 3.411 8.355 11.055 1.00 0.00 C ATOM 1636 C ASN A 104 2.096 8.500 11.821 1.00 0.00 C ATOM 1637 O ASN A 104 1.301 7.581 11.901 1.00 0.00 O ATOM 1638 CB ASN A 104 3.124 7.900 9.621 1.00 0.00 C ATOM 1639 CG ASN A 104 4.448 7.590 8.914 1.00 0.00 C ATOM 1640 OD1 ASN A 104 5.421 8.303 9.076 1.00 0.00 O ATOM 1641 ND2 ASN A 104 4.528 6.548 8.134 1.00 0.00 N ATOM 0 H ASN A 104 3.961 6.374 11.619 1.00 0.00 H new ATOM 0 HA ASN A 104 3.924 9.317 11.038 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.487 7.016 9.628 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.584 8.678 9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 104 5.405 6.331 7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.713 5.950 7.997 1.00 0.00 H new ATOM 1648 N GLY A 105 1.866 9.658 12.386 1.00 0.00 N ATOM 1649 CA GLY A 105 0.607 9.899 13.155 1.00 0.00 C ATOM 1650 C GLY A 105 -0.433 10.537 12.231 1.00 0.00 C ATOM 1651 O GLY A 105 -1.099 11.488 12.588 1.00 0.00 O ATOM 0 H GLY A 105 2.502 10.454 12.347 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.227 8.960 13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.805 10.552 14.005 1.00 0.00 H new ATOM 1655 N LEU A 106 -0.567 10.012 11.045 1.00 0.00 N ATOM 1656 CA LEU A 106 -1.554 10.554 10.063 1.00 0.00 C ATOM 1657 C LEU A 106 -1.497 12.087 10.026 1.00 0.00 C ATOM 1658 O LEU A 106 -2.061 12.770 10.859 1.00 0.00 O ATOM 1659 CB LEU A 106 -2.967 10.097 10.440 1.00 0.00 C ATOM 1660 CG LEU A 106 -3.158 8.634 10.022 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -2.183 7.743 10.802 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -4.597 8.207 10.318 1.00 0.00 C ATOM 0 H LEU A 106 -0.026 9.216 10.707 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.301 10.174 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.121 10.203 11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.708 10.727 9.948 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.960 8.531 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.321 6.704 10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.159 8.049 10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.375 7.842 11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.736 7.167 10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.795 8.310 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.286 8.839 9.758 1.00 0.00 H new ATOM 1674 N GLY A 107 -0.824 12.623 9.041 1.00 0.00 N ATOM 1675 CA GLY A 107 -0.722 14.102 8.914 1.00 0.00 C ATOM 1676 C GLY A 107 0.385 14.615 9.839 1.00 0.00 C ATOM 1677 O GLY A 107 0.607 15.804 9.961 1.00 0.00 O ATOM 0 H GLY A 107 -0.339 12.094 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.505 14.376 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.673 14.567 9.174 1.00 0.00 H new ATOM 1681 N PHE A 108 1.075 13.721 10.494 1.00 0.00 N ATOM 1682 CA PHE A 108 2.164 14.144 11.421 1.00 0.00 C ATOM 1683 C PHE A 108 3.367 14.650 10.627 1.00 0.00 C ATOM 1684 O PHE A 108 3.711 14.122 9.589 1.00 0.00 O ATOM 1685 CB PHE A 108 2.591 12.956 12.282 1.00 0.00 C ATOM 1686 CG PHE A 108 3.748 13.365 13.170 1.00 0.00 C ATOM 1687 CD1 PHE A 108 3.524 14.191 14.282 1.00 0.00 C ATOM 1688 CD2 PHE A 108 5.046 12.920 12.883 1.00 0.00 C ATOM 1689 CE1 PHE A 108 4.594 14.567 15.102 1.00 0.00 C ATOM 1690 CE2 PHE A 108 6.116 13.297 13.705 1.00 0.00 C ATOM 1691 CZ PHE A 108 5.890 14.120 14.814 1.00 0.00 C ATOM 0 H PHE A 108 0.931 12.713 10.427 1.00 0.00 H new ATOM 0 HA PHE A 108 1.793 14.948 12.057 1.00 0.00 H new ATOM 0 HB2 PHE A 108 1.754 12.615 12.891 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.884 12.120 11.647 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.525 14.537 14.505 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.221 12.286 12.027 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.420 15.202 15.958 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.115 12.952 13.483 1.00 0.00 H new ATOM 0 HZ PHE A 108 6.715 14.411 15.448 1.00 0.00 H new ATOM 1701 N SER A 109 4.005 15.678 11.112 1.00 0.00 N ATOM 1702 CA SER A 109 5.182 16.235 10.399 1.00 0.00 C ATOM 1703 C SER A 109 6.412 15.357 10.640 1.00 0.00 C ATOM 1704 O SER A 109 6.728 15.000 11.758 1.00 0.00 O ATOM 1705 CB SER A 109 5.450 17.650 10.914 1.00 0.00 C ATOM 1706 OG SER A 109 5.374 17.657 12.333 1.00 0.00 O ATOM 0 H SER A 109 3.758 16.158 11.978 1.00 0.00 H new ATOM 0 HA SER A 109 4.978 16.261 9.329 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.435 17.987 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 109 4.722 18.345 10.496 1.00 0.00 H new ATOM 0 HG SER A 109 5.809 16.854 12.688 1.00 0.00 H new ATOM 1712 N LYS A 110 7.115 15.024 9.591 1.00 0.00 N ATOM 1713 CA LYS A 110 8.338 14.184 9.733 1.00 0.00 C ATOM 1714 C LYS A 110 9.043 14.108 8.379 1.00 0.00 C ATOM 1715 O LYS A 110 9.016 13.096 7.711 1.00 0.00 O ATOM 1716 CB LYS A 110 7.959 12.775 10.201 1.00 0.00 C ATOM 1717 CG LYS A 110 9.230 11.961 10.460 1.00 0.00 C ATOM 1718 CD LYS A 110 8.853 10.589 11.023 1.00 0.00 C ATOM 1719 CE LYS A 110 10.121 9.782 11.315 1.00 0.00 C ATOM 1720 NZ LYS A 110 10.810 9.452 10.034 1.00 0.00 N ATOM 0 H LYS A 110 6.892 15.300 8.635 1.00 0.00 H new ATOM 0 HA LYS A 110 9.003 14.629 10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.360 12.832 11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.347 12.282 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.794 11.843 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.876 12.489 11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.269 10.708 11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.226 10.053 10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.787 10.354 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.867 8.867 11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.502 8.693 10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.109 9.136 9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.301 10.296 9.676 1.00 0.00 H new ATOM 1734 N SER A 111 9.675 15.185 7.980 1.00 0.00 N ATOM 1735 CA SER A 111 10.402 15.214 6.669 1.00 0.00 C ATOM 1736 C SER A 111 9.533 14.635 5.549 1.00 0.00 C ATOM 1737 O SER A 111 8.899 15.351 4.798 1.00 0.00 O ATOM 1738 CB SER A 111 11.677 14.381 6.780 1.00 0.00 C ATOM 1739 OG SER A 111 11.333 13.043 7.116 1.00 0.00 O ATOM 0 H SER A 111 9.719 16.055 8.511 1.00 0.00 H new ATOM 0 HA SER A 111 10.641 16.251 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.223 14.403 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.336 14.802 7.540 1.00 0.00 H new ATOM 0 HG SER A 111 12.148 12.504 7.187 1.00 0.00 H new ATOM 1745 N GLU A 112 9.519 13.340 5.427 1.00 0.00 N ATOM 1746 CA GLU A 112 8.715 12.687 4.360 1.00 0.00 C ATOM 1747 C GLU A 112 7.261 13.167 4.439 1.00 0.00 C ATOM 1748 O GLU A 112 6.663 13.537 3.447 1.00 0.00 O ATOM 1749 CB GLU A 112 8.750 11.174 4.584 1.00 0.00 C ATOM 1750 CG GLU A 112 10.178 10.648 4.404 1.00 0.00 C ATOM 1751 CD GLU A 112 10.616 10.839 2.952 1.00 0.00 C ATOM 1752 OE1 GLU A 112 9.889 10.404 2.073 1.00 0.00 O ATOM 1753 OE2 GLU A 112 11.670 11.417 2.743 1.00 0.00 O ATOM 0 H GLU A 112 10.036 12.698 6.028 1.00 0.00 H new ATOM 0 HA GLU A 112 9.126 12.940 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.391 10.938 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.080 10.679 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.858 11.177 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.224 9.593 4.672 1.00 0.00 H new ATOM 1760 N LEU A 113 6.690 13.154 5.609 1.00 0.00 N ATOM 1761 CA LEU A 113 5.275 13.598 5.758 1.00 0.00 C ATOM 1762 C LEU A 113 5.160 15.102 5.505 1.00 0.00 C ATOM 1763 O LEU A 113 5.008 15.544 4.383 1.00 0.00 O ATOM 1764 CB LEU A 113 4.796 13.301 7.183 1.00 0.00 C ATOM 1765 CG LEU A 113 4.866 11.799 7.472 1.00 0.00 C ATOM 1766 CD1 LEU A 113 4.449 11.547 8.923 1.00 0.00 C ATOM 1767 CD2 LEU A 113 3.930 11.035 6.521 1.00 0.00 C ATOM 0 H LEU A 113 7.143 12.854 6.473 1.00 0.00 H new ATOM 0 HA LEU A 113 4.662 13.062 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.412 13.844 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.773 13.654 7.310 1.00 0.00 H new ATOM 0 HG LEU A 113 5.886 11.447 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.497 10.479 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.123 12.080 9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.430 11.902 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.987 9.968 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.906 11.380 6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.233 11.215 5.490 1.00 0.00 H new ATOM 1779 N GLU A 114 5.225 15.888 6.551 1.00 0.00 N ATOM 1780 CA GLU A 114 5.109 17.368 6.404 1.00 0.00 C ATOM 1781 C GLU A 114 4.009 17.714 5.400 1.00 0.00 C ATOM 1782 O GLU A 114 2.849 17.844 5.747 1.00 0.00 O ATOM 1783 CB GLU A 114 6.438 17.943 5.912 1.00 0.00 C ATOM 1784 CG GLU A 114 7.494 17.815 7.011 1.00 0.00 C ATOM 1785 CD GLU A 114 8.837 18.332 6.493 1.00 0.00 C ATOM 1786 OE1 GLU A 114 8.878 18.783 5.359 1.00 0.00 O ATOM 1787 OE2 GLU A 114 9.799 18.270 7.238 1.00 0.00 O ATOM 0 H GLU A 114 5.355 15.562 7.509 1.00 0.00 H new ATOM 0 HA GLU A 114 4.858 17.798 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.765 17.414 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.312 18.990 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.189 18.382 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.588 16.774 7.320 1.00 0.00 H new ATOM 1794 N HIS A 115 4.376 17.872 4.158 1.00 0.00 N ATOM 1795 CA HIS A 115 3.383 18.220 3.104 1.00 0.00 C ATOM 1796 C HIS A 115 2.429 19.302 3.619 1.00 0.00 C ATOM 1797 O HIS A 115 1.341 19.024 4.083 1.00 0.00 O ATOM 1798 CB HIS A 115 2.590 16.974 2.699 1.00 0.00 C ATOM 1799 CG HIS A 115 1.721 17.304 1.515 1.00 0.00 C ATOM 1800 ND1 HIS A 115 0.428 17.782 1.658 1.00 0.00 N ATOM 1801 CD2 HIS A 115 1.951 17.241 0.162 1.00 0.00 C ATOM 1802 CE1 HIS A 115 -0.067 17.987 0.422 1.00 0.00 C ATOM 1803 NE2 HIS A 115 0.820 17.673 -0.525 1.00 0.00 N ATOM 0 H HIS A 115 5.335 17.773 3.825 1.00 0.00 H new ATOM 0 HA HIS A 115 3.913 18.602 2.232 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.271 16.160 2.450 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.976 16.632 3.532 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.060 17.948 2.538 1.00 0.00 H new ATOM 0 HD2 HIS A 115 2.869 16.907 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -1.061 18.360 0.222 1.00 0.00 H new ATOM 1811 N HIS A 116 2.839 20.541 3.535 1.00 0.00 N ATOM 1812 CA HIS A 116 1.970 21.655 4.011 1.00 0.00 C ATOM 1813 C HIS A 116 2.307 22.942 3.257 1.00 0.00 C ATOM 1814 O HIS A 116 3.321 23.047 2.592 1.00 0.00 O ATOM 1815 CB HIS A 116 2.186 21.880 5.507 1.00 0.00 C ATOM 1816 CG HIS A 116 3.619 22.251 5.759 1.00 0.00 C ATOM 1817 ND1 HIS A 116 4.218 23.350 5.162 1.00 0.00 N ATOM 1818 CD2 HIS A 116 4.588 21.677 6.546 1.00 0.00 C ATOM 1819 CE1 HIS A 116 5.491 23.403 5.595 1.00 0.00 C ATOM 1820 NE2 HIS A 116 5.769 22.407 6.442 1.00 0.00 N ATOM 0 H HIS A 116 3.741 20.829 3.156 1.00 0.00 H new ATOM 0 HA HIS A 116 0.929 21.389 3.827 1.00 0.00 H new ATOM 0 HB2 HIS A 116 1.527 22.671 5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 116 1.931 20.977 6.061 1.00 0.00 H new ATOM 0 HD1 HIS A 116 3.774 24.000 4.513 1.00 0.00 H new ATOM 0 HD2 HIS A 116 4.454 20.794 7.153 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.202 24.159 5.295 1.00 0.00 H new ATOM 1828 N HIS A 117 1.450 23.922 3.358 1.00 0.00 N ATOM 1829 CA HIS A 117 1.683 25.217 2.655 1.00 0.00 C ATOM 1830 C HIS A 117 2.773 26.030 3.368 1.00 0.00 C ATOM 1831 O HIS A 117 3.231 25.680 4.438 1.00 0.00 O ATOM 1832 CB HIS A 117 0.380 26.016 2.637 1.00 0.00 C ATOM 1833 CG HIS A 117 0.576 27.272 1.836 1.00 0.00 C ATOM 1834 ND1 HIS A 117 0.745 28.512 2.435 1.00 0.00 N ATOM 1835 CD2 HIS A 117 0.636 27.497 0.483 1.00 0.00 C ATOM 1836 CE1 HIS A 117 0.898 29.418 1.452 1.00 0.00 C ATOM 1837 NE2 HIS A 117 0.839 28.853 0.243 1.00 0.00 N ATOM 0 H HIS A 117 0.589 23.880 3.903 1.00 0.00 H new ATOM 0 HA HIS A 117 2.012 25.014 1.636 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.421 25.417 2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.078 26.264 3.655 1.00 0.00 H new ATOM 0 HD1 HIS A 117 0.752 28.702 3.437 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.540 26.738 -0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 117 1.050 30.474 1.620 1.00 0.00 H new ATOM 1845 N HIS A 118 3.197 27.112 2.763 1.00 0.00 N ATOM 1846 CA HIS A 118 4.265 27.954 3.377 1.00 0.00 C ATOM 1847 C HIS A 118 3.743 28.650 4.638 1.00 0.00 C ATOM 1848 O HIS A 118 2.637 29.153 4.680 1.00 0.00 O ATOM 1849 CB HIS A 118 4.729 29.009 2.365 1.00 0.00 C ATOM 1850 CG HIS A 118 5.429 28.333 1.214 1.00 0.00 C ATOM 1851 ND1 HIS A 118 5.855 29.034 0.096 1.00 0.00 N ATOM 1852 CD2 HIS A 118 5.784 27.024 0.992 1.00 0.00 C ATOM 1853 CE1 HIS A 118 6.436 28.151 -0.739 1.00 0.00 C ATOM 1854 NE2 HIS A 118 6.419 26.913 -0.241 1.00 0.00 N ATOM 0 H HIS A 118 2.846 27.448 1.866 1.00 0.00 H new ATOM 0 HA HIS A 118 5.102 27.312 3.653 1.00 0.00 H new ATOM 0 HB2 HIS A 118 3.874 29.578 2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 118 5.402 29.718 2.847 1.00 0.00 H new ATOM 0 HD2 HIS A 118 5.598 26.206 1.672 1.00 0.00 H new ATOM 0 HE1 HIS A 118 6.864 28.413 -1.695 1.00 0.00 H new ATOM 0 HE2 HIS A 118 6.792 26.067 -0.672 1.00 0.00 H new ATOM 1862 N HIS A 119 4.546 28.673 5.669 1.00 0.00 N ATOM 1863 CA HIS A 119 4.129 29.323 6.942 1.00 0.00 C ATOM 1864 C HIS A 119 4.406 30.828 6.879 1.00 0.00 C ATOM 1865 O HIS A 119 5.493 31.265 6.555 1.00 0.00 O ATOM 1866 CB HIS A 119 4.913 28.702 8.100 1.00 0.00 C ATOM 1867 CG HIS A 119 4.387 29.233 9.404 1.00 0.00 C ATOM 1868 ND1 HIS A 119 4.825 30.433 9.943 1.00 0.00 N ATOM 1869 CD2 HIS A 119 3.459 28.742 10.288 1.00 0.00 C ATOM 1870 CE1 HIS A 119 4.166 30.623 11.100 1.00 0.00 C ATOM 1871 NE2 HIS A 119 3.320 29.621 11.359 1.00 0.00 N ATOM 0 H HIS A 119 5.481 28.265 5.682 1.00 0.00 H new ATOM 0 HA HIS A 119 3.061 29.169 7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 119 4.821 27.616 8.074 1.00 0.00 H new ATOM 0 HB3 HIS A 119 5.973 28.935 8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 119 2.918 27.814 10.171 1.00 0.00 H new ATOM 0 HE1 HIS A 119 4.304 31.481 11.742 1.00 0.00 H new ATOM 0 HE2 HIS A 119 2.705 29.522 12.167 1.00 0.00 H new ATOM 1879 N HIS A 120 3.417 31.618 7.192 1.00 0.00 N ATOM 1880 CA HIS A 120 3.585 33.098 7.159 1.00 0.00 C ATOM 1881 C HIS A 120 4.663 33.524 8.159 1.00 0.00 C ATOM 1882 O HIS A 120 4.319 34.190 9.123 1.00 0.00 O ATOM 1883 CB HIS A 120 2.255 33.753 7.533 1.00 0.00 C ATOM 1884 CG HIS A 120 1.210 33.385 6.514 1.00 0.00 C ATOM 1885 ND1 HIS A 120 1.267 33.834 5.204 1.00 0.00 N ATOM 1886 CD2 HIS A 120 0.072 32.616 6.596 1.00 0.00 C ATOM 1887 CE1 HIS A 120 0.194 33.339 4.558 1.00 0.00 C ATOM 1888 NE2 HIS A 120 -0.566 32.589 5.360 1.00 0.00 N ATOM 1889 OXT HIS A 120 5.815 33.181 7.945 1.00 0.00 O ATOM 0 H HIS A 120 2.490 31.298 7.472 1.00 0.00 H new ATOM 0 HA HIS A 120 3.888 33.410 6.159 1.00 0.00 H new ATOM 0 HB2 HIS A 120 1.942 33.426 8.525 1.00 0.00 H new ATOM 0 HB3 HIS A 120 2.370 34.836 7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -0.274 32.110 7.485 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -0.025 33.526 3.517 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -1.429 32.101 5.118 1.00 0.00 H new TER 1897 HIS A 120