USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -65:sc= 1.15 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 12 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 86:sc= 1.21 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.0464 (180deg=-0.296) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 43 THR OG1 : rot -28:sc= 0.12 USER MOD Single : A 44 MET CE :methyl -144:sc= 0 (180deg=-0.164) USER MOD Single : A 46 TYR OH : rot -156:sc= 1.24 USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 1.22 (180deg=0.96) USER MOD Single : A 52 ASN : amide:sc= -0.662 K(o=-0.66,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 0.319 (180deg=-0.0658) USER MOD Single : A 54 MET CE :methyl 180:sc= -0.0916 (180deg=-0.0916) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.715 K(o=0.72,f=-1.2) USER MOD Single : A 70 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.35) USER MOD Single : A 71 GLN : amide:sc= -2.67 K(o=-2.7,f=-12!) USER MOD Single : A 74 HIS : no HD1:sc= 0.612 K(o=0.61,f=-5.4!) USER MOD Single : A 83 THR OG1 : rot 84:sc= 0.0822 USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.06) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0482 (180deg=-0.289) USER MOD Single : A 92 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 96 ASN : amide:sc= 0.136 K(o=0.14,f=-2.4) USER MOD Single : A 99 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-5.6!) USER MOD Single : A 106 LYS NZ :NH3+ -151:sc= 1.24 (180deg=1.1) USER MOD Single : A 109 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ 162:sc= -0.0622 (180deg=-0.389) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.0042) USER MOD Single : A 112 ASN : amide:sc= 0.06 X(o=0.06,f=-0.22) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -145:sc= 0.232 (180deg=-0.248) USER MOD Single : A 119 SER OG : rot -157:sc= -4.1! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -176:sc= 1.03 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.519 13.233 -10.855 1.00 0.00 N ATOM 2 CA MET A 1 19.133 13.030 -11.335 1.00 0.00 C ATOM 3 C MET A 1 18.137 13.283 -10.212 1.00 0.00 C ATOM 4 O MET A 1 18.191 12.633 -9.168 1.00 0.00 O ATOM 5 CB MET A 1 18.949 11.602 -11.861 1.00 0.00 C ATOM 6 CG MET A 1 17.530 11.303 -12.319 1.00 0.00 C ATOM 7 SD MET A 1 17.297 9.588 -12.829 1.00 0.00 S ATOM 8 CE MET A 1 15.562 9.611 -13.278 1.00 0.00 C ATOM 0 H1 MET A 1 21.185 13.056 -11.634 1.00 0.00 H new ATOM 0 H2 MET A 1 20.630 14.211 -10.519 1.00 0.00 H new ATOM 0 H3 MET A 1 20.716 12.574 -10.075 1.00 0.00 H new ATOM 0 HA MET A 1 18.951 13.737 -12.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.633 11.439 -12.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.226 10.896 -11.078 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.837 11.532 -11.509 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.277 11.961 -13.151 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.261 8.620 -13.617 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.966 9.895 -12.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.403 10.332 -14.080 1.00 0.00 H new ATOM 20 N GLU A 2 17.229 14.222 -10.428 1.00 0.00 N ATOM 21 CA GLU A 2 16.202 14.517 -9.446 1.00 0.00 C ATOM 22 C GLU A 2 14.979 13.651 -9.693 1.00 0.00 C ATOM 23 O GLU A 2 14.273 13.810 -10.691 1.00 0.00 O ATOM 24 CB GLU A 2 15.801 15.992 -9.464 1.00 0.00 C ATOM 25 CG GLU A 2 16.858 16.951 -8.927 1.00 0.00 C ATOM 26 CD GLU A 2 18.081 17.053 -9.814 1.00 0.00 C ATOM 27 OE1 GLU A 2 17.993 17.699 -10.879 1.00 0.00 O ATOM 28 OE2 GLU A 2 19.136 16.495 -9.453 1.00 0.00 O ATOM 0 H GLU A 2 17.184 14.791 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 2 16.618 14.296 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.561 16.276 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.890 16.113 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.416 17.941 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.165 16.623 -7.934 1.00 0.00 H new ATOM 35 N PHE A 3 14.752 12.723 -8.788 1.00 0.00 N ATOM 36 CA PHE A 3 13.612 11.829 -8.871 1.00 0.00 C ATOM 37 C PHE A 3 12.478 12.363 -8.010 1.00 0.00 C ATOM 38 O PHE A 3 12.700 12.825 -6.888 1.00 0.00 O ATOM 39 CB PHE A 3 14.019 10.423 -8.425 1.00 0.00 C ATOM 40 CG PHE A 3 12.902 9.418 -8.449 1.00 0.00 C ATOM 41 CD1 PHE A 3 12.126 9.204 -7.324 1.00 0.00 C ATOM 42 CD2 PHE A 3 12.634 8.689 -9.592 1.00 0.00 C ATOM 43 CE1 PHE A 3 11.100 8.281 -7.337 1.00 0.00 C ATOM 44 CE2 PHE A 3 11.608 7.763 -9.614 1.00 0.00 C ATOM 45 CZ PHE A 3 10.839 7.558 -8.484 1.00 0.00 C ATOM 0 H PHE A 3 15.349 12.566 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 3 13.267 11.774 -9.903 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.824 10.069 -9.069 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.421 10.478 -7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.326 9.766 -6.424 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.233 8.844 -10.477 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.502 8.124 -6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.407 7.200 -10.514 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.037 6.835 -8.498 1.00 0.00 H new ATOM 55 N THR A 4 11.272 12.305 -8.540 1.00 0.00 N ATOM 56 CA THR A 4 10.110 12.816 -7.837 1.00 0.00 C ATOM 57 C THR A 4 9.365 11.688 -7.140 1.00 0.00 C ATOM 58 O THR A 4 8.761 10.832 -7.782 1.00 0.00 O ATOM 59 CB THR A 4 9.156 13.540 -8.801 1.00 0.00 C ATOM 60 OG1 THR A 4 9.814 13.781 -10.053 1.00 0.00 O ATOM 61 CG2 THR A 4 8.703 14.860 -8.204 1.00 0.00 C ATOM 0 H THR A 4 11.070 11.908 -9.458 1.00 0.00 H new ATOM 0 HA THR A 4 10.464 13.528 -7.091 1.00 0.00 H new ATOM 0 HB THR A 4 8.284 12.907 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.199 14.241 -10.662 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.028 15.361 -8.898 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.184 14.675 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.571 15.494 -8.021 1.00 0.00 H new ATOM 69 N VAL A 5 9.437 11.684 -5.820 1.00 0.00 N ATOM 70 CA VAL A 5 8.741 10.684 -5.024 1.00 0.00 C ATOM 71 C VAL A 5 7.362 11.205 -4.646 1.00 0.00 C ATOM 72 O VAL A 5 7.157 12.415 -4.499 1.00 0.00 O ATOM 73 CB VAL A 5 9.525 10.295 -3.739 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.021 10.306 -3.996 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.172 11.181 -2.555 1.00 0.00 C ATOM 0 H VAL A 5 9.970 12.362 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 5 8.653 9.785 -5.633 1.00 0.00 H new ATOM 0 HB VAL A 5 9.224 9.281 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.549 10.031 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.260 9.591 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.329 11.304 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.746 10.868 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.409 12.218 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.107 11.093 -2.339 1.00 0.00 H new ATOM 85 N SER A 6 6.416 10.288 -4.533 1.00 0.00 N ATOM 86 CA SER A 6 5.054 10.623 -4.152 1.00 0.00 C ATOM 87 C SER A 6 4.989 10.977 -2.669 1.00 0.00 C ATOM 88 O SER A 6 4.922 10.090 -1.818 1.00 0.00 O ATOM 89 CB SER A 6 4.133 9.438 -4.446 1.00 0.00 C ATOM 90 OG SER A 6 4.384 8.905 -5.738 1.00 0.00 O ATOM 0 H SER A 6 6.569 9.294 -4.702 1.00 0.00 H new ATOM 0 HA SER A 6 4.727 11.487 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.281 8.663 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.093 9.756 -4.376 1.00 0.00 H new ATOM 0 HG SER A 6 3.784 8.148 -5.902 1.00 0.00 H new ATOM 96 N THR A 7 5.034 12.267 -2.363 1.00 0.00 N ATOM 97 CA THR A 7 4.989 12.724 -0.982 1.00 0.00 C ATOM 98 C THR A 7 3.562 12.729 -0.443 1.00 0.00 C ATOM 99 O THR A 7 2.622 12.387 -1.162 1.00 0.00 O ATOM 100 CB THR A 7 5.586 14.137 -0.833 1.00 0.00 C ATOM 101 OG1 THR A 7 4.897 15.060 -1.692 1.00 0.00 O ATOM 102 CG2 THR A 7 7.067 14.136 -1.165 1.00 0.00 C ATOM 0 H THR A 7 5.102 13.015 -3.053 1.00 0.00 H new ATOM 0 HA THR A 7 5.589 12.021 -0.404 1.00 0.00 H new ATOM 0 HB THR A 7 5.462 14.449 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.054 14.816 -2.628 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.466 15.144 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.591 13.461 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.209 13.802 -2.193 1.00 0.00 H new ATOM 110 N THR A 8 3.408 13.118 0.816 1.00 0.00 N ATOM 111 CA THR A 8 2.100 13.205 1.445 1.00 0.00 C ATOM 112 C THR A 8 1.159 14.086 0.627 1.00 0.00 C ATOM 113 O THR A 8 -0.012 13.755 0.426 1.00 0.00 O ATOM 114 CB THR A 8 2.233 13.779 2.864 1.00 0.00 C ATOM 115 OG1 THR A 8 3.345 13.166 3.532 1.00 0.00 O ATOM 116 CG2 THR A 8 0.963 13.543 3.664 1.00 0.00 C ATOM 0 H THR A 8 4.183 13.380 1.426 1.00 0.00 H new ATOM 0 HA THR A 8 1.683 12.199 1.496 1.00 0.00 H new ATOM 0 HB THR A 8 2.399 14.854 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.428 13.536 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.081 13.958 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.124 14.029 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.772 12.472 3.735 1.00 0.00 H new ATOM 124 N GLU A 9 1.698 15.191 0.133 1.00 0.00 N ATOM 125 CA GLU A 9 0.933 16.145 -0.649 1.00 0.00 C ATOM 126 C GLU A 9 0.444 15.515 -1.952 1.00 0.00 C ATOM 127 O GLU A 9 -0.721 15.662 -2.322 1.00 0.00 O ATOM 128 CB GLU A 9 1.784 17.378 -0.927 1.00 0.00 C ATOM 129 CG GLU A 9 2.227 18.085 0.341 1.00 0.00 C ATOM 130 CD GLU A 9 3.263 19.156 0.086 1.00 0.00 C ATOM 131 OE1 GLU A 9 2.880 20.307 -0.216 1.00 0.00 O ATOM 132 OE2 GLU A 9 4.468 18.853 0.193 1.00 0.00 O ATOM 0 H GLU A 9 2.676 15.449 0.264 1.00 0.00 H new ATOM 0 HA GLU A 9 0.054 16.444 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.663 17.085 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.217 18.073 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.359 18.534 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.634 17.351 1.037 1.00 0.00 H new ATOM 139 N ASP A 10 1.333 14.793 -2.629 1.00 0.00 N ATOM 140 CA ASP A 10 0.982 14.120 -3.879 1.00 0.00 C ATOM 141 C ASP A 10 -0.026 13.016 -3.606 1.00 0.00 C ATOM 142 O ASP A 10 -0.964 12.803 -4.378 1.00 0.00 O ATOM 143 CB ASP A 10 2.214 13.513 -4.559 1.00 0.00 C ATOM 144 CG ASP A 10 3.346 14.501 -4.742 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.184 15.476 -5.502 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.419 14.296 -4.135 1.00 0.00 O ATOM 0 H ASP A 10 2.300 14.658 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 10 0.552 14.868 -4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.569 12.670 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.925 13.118 -5.533 1.00 0.00 H new ATOM 151 N LEU A 11 0.174 12.325 -2.488 1.00 0.00 N ATOM 152 CA LEU A 11 -0.701 11.238 -2.085 1.00 0.00 C ATOM 153 C LEU A 11 -2.137 11.726 -1.935 1.00 0.00 C ATOM 154 O LEU A 11 -3.074 11.043 -2.340 1.00 0.00 O ATOM 155 CB LEU A 11 -0.207 10.608 -0.777 1.00 0.00 C ATOM 156 CG LEU A 11 -1.096 9.503 -0.216 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.132 8.326 -1.169 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.606 9.067 1.157 1.00 0.00 C ATOM 0 H LEU A 11 0.943 12.504 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.681 10.477 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.791 10.202 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.112 11.393 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.108 9.892 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.770 7.544 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.529 8.649 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.123 7.937 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.253 8.278 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.415 8.693 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.628 9.918 1.838 1.00 0.00 H new ATOM 170 N GLN A 12 -2.294 12.937 -1.403 1.00 0.00 N ATOM 171 CA GLN A 12 -3.614 13.501 -1.133 1.00 0.00 C ATOM 172 C GLN A 12 -4.426 13.658 -2.412 1.00 0.00 C ATOM 173 O GLN A 12 -5.656 13.627 -2.388 1.00 0.00 O ATOM 174 CB GLN A 12 -3.490 14.850 -0.428 1.00 0.00 C ATOM 175 CG GLN A 12 -3.008 14.747 1.014 1.00 0.00 C ATOM 176 CD GLN A 12 -3.951 13.940 1.887 1.00 0.00 C ATOM 177 OE1 GLN A 12 -5.161 13.910 1.656 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.407 13.284 2.898 1.00 0.00 N ATOM 0 H GLN A 12 -1.518 13.549 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.139 12.804 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.799 15.480 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.460 15.348 -0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.020 14.287 1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.901 15.749 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.401 13.334 3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.994 12.728 3.520 1.00 0.00 H new ATOM 187 N ARG A 13 -3.736 13.816 -3.529 1.00 0.00 N ATOM 188 CA ARG A 13 -4.398 13.968 -4.811 1.00 0.00 C ATOM 189 C ARG A 13 -4.886 12.619 -5.336 1.00 0.00 C ATOM 190 O ARG A 13 -6.004 12.508 -5.843 1.00 0.00 O ATOM 191 CB ARG A 13 -3.457 14.633 -5.816 1.00 0.00 C ATOM 192 CG ARG A 13 -4.050 14.765 -7.209 1.00 0.00 C ATOM 193 CD ARG A 13 -3.485 15.967 -7.938 1.00 0.00 C ATOM 194 NE ARG A 13 -3.847 17.221 -7.277 1.00 0.00 N ATOM 195 CZ ARG A 13 -3.226 18.380 -7.487 1.00 0.00 C ATOM 196 NH1 ARG A 13 -2.203 18.443 -8.329 1.00 0.00 N ATOM 197 NH2 ARG A 13 -3.632 19.476 -6.855 1.00 0.00 N ATOM 0 H ARG A 13 -2.717 13.842 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.269 14.608 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.188 15.624 -5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.535 14.054 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.844 13.860 -7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.134 14.857 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.399 15.884 -7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.854 15.977 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.623 17.207 -6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.891 17.603 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.728 19.331 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.420 19.430 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.156 20.364 -7.016 1.00 0.00 H new ATOM 211 N TYR A 14 -4.059 11.588 -5.186 1.00 0.00 N ATOM 212 CA TYR A 14 -4.412 10.259 -5.677 1.00 0.00 C ATOM 213 C TYR A 14 -5.570 9.666 -4.884 1.00 0.00 C ATOM 214 O TYR A 14 -6.339 8.865 -5.415 1.00 0.00 O ATOM 215 CB TYR A 14 -3.212 9.309 -5.639 1.00 0.00 C ATOM 216 CG TYR A 14 -2.064 9.763 -6.516 1.00 0.00 C ATOM 217 CD1 TYR A 14 -2.277 10.086 -7.851 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.771 9.867 -6.016 1.00 0.00 C ATOM 219 CE1 TYR A 14 -1.240 10.502 -8.661 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.273 10.282 -6.822 1.00 0.00 C ATOM 221 CZ TYR A 14 0.032 10.600 -8.143 1.00 0.00 C ATOM 222 OH TYR A 14 1.069 11.019 -8.949 1.00 0.00 O ATOM 0 H TYR A 14 -3.147 11.646 -4.732 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.725 10.376 -6.715 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.861 9.218 -4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.532 8.316 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.273 10.010 -8.262 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.579 9.620 -4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.425 10.749 -9.696 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.272 10.357 -6.420 1.00 0.00 H new ATOM 0 HH TYR A 14 1.900 11.035 -8.431 1.00 0.00 H new ATOM 232 N ARG A 15 -5.697 10.061 -3.618 1.00 0.00 N ATOM 233 CA ARG A 15 -6.808 9.589 -2.793 1.00 0.00 C ATOM 234 C ARG A 15 -8.127 9.989 -3.437 1.00 0.00 C ATOM 235 O ARG A 15 -8.982 9.146 -3.691 1.00 0.00 O ATOM 236 CB ARG A 15 -6.760 10.148 -1.364 1.00 0.00 C ATOM 237 CG ARG A 15 -5.367 10.237 -0.773 1.00 0.00 C ATOM 238 CD ARG A 15 -5.389 10.773 0.654 1.00 0.00 C ATOM 239 NE ARG A 15 -5.562 9.713 1.639 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.731 9.927 2.940 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.918 11.159 3.403 1.00 0.00 N ATOM 242 NH2 ARG A 15 -5.733 8.902 3.774 1.00 0.00 N ATOM 0 H ARG A 15 -5.054 10.698 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.721 8.504 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.207 11.142 -1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.375 9.519 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.904 9.250 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.749 10.885 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.459 11.305 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.198 11.496 0.756 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.553 8.748 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.933 11.949 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.047 11.314 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.605 7.955 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.862 9.058 4.774 1.00 0.00 H new ATOM 256 N THR A 16 -8.265 11.280 -3.722 1.00 0.00 N ATOM 257 CA THR A 16 -9.465 11.823 -4.341 1.00 0.00 C ATOM 258 C THR A 16 -9.767 11.140 -5.672 1.00 0.00 C ATOM 259 O THR A 16 -10.895 10.711 -5.920 1.00 0.00 O ATOM 260 CB THR A 16 -9.304 13.336 -4.571 1.00 0.00 C ATOM 261 OG1 THR A 16 -9.353 14.027 -3.316 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.375 13.874 -5.508 1.00 0.00 C ATOM 0 H THR A 16 -7.547 11.978 -3.529 1.00 0.00 H new ATOM 0 HA THR A 16 -10.298 11.638 -3.662 1.00 0.00 H new ATOM 0 HB THR A 16 -8.335 13.506 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.248 14.989 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.231 14.945 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.303 13.369 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.360 13.694 -5.077 1.00 0.00 H new ATOM 270 N GLU A 17 -8.751 11.045 -6.517 1.00 0.00 N ATOM 271 CA GLU A 17 -8.907 10.454 -7.839 1.00 0.00 C ATOM 272 C GLU A 17 -9.447 9.027 -7.759 1.00 0.00 C ATOM 273 O GLU A 17 -10.376 8.664 -8.483 1.00 0.00 O ATOM 274 CB GLU A 17 -7.577 10.492 -8.591 1.00 0.00 C ATOM 275 CG GLU A 17 -7.431 11.700 -9.500 1.00 0.00 C ATOM 276 CD GLU A 17 -8.483 11.735 -10.589 1.00 0.00 C ATOM 277 OE1 GLU A 17 -9.622 12.171 -10.313 1.00 0.00 O ATOM 278 OE2 GLU A 17 -8.174 11.331 -11.726 1.00 0.00 O ATOM 0 H GLU A 17 -7.807 11.371 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.640 11.045 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.760 10.489 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.479 9.585 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.499 12.610 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.441 11.691 -9.956 1.00 0.00 H new ATOM 285 N CYS A 18 -8.883 8.230 -6.862 1.00 0.00 N ATOM 286 CA CYS A 18 -9.333 6.857 -6.675 1.00 0.00 C ATOM 287 C CYS A 18 -10.693 6.813 -5.995 1.00 0.00 C ATOM 288 O CYS A 18 -11.511 5.939 -6.283 1.00 0.00 O ATOM 289 CB CYS A 18 -8.310 6.060 -5.876 1.00 0.00 C ATOM 290 SG CYS A 18 -6.760 5.780 -6.786 1.00 0.00 S ATOM 0 H CYS A 18 -8.114 8.510 -6.253 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.434 6.401 -7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.090 6.588 -4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.742 5.098 -5.600 1.00 0.00 H new ATOM 295 N VAL A 19 -10.940 7.773 -5.115 1.00 0.00 N ATOM 296 CA VAL A 19 -12.213 7.868 -4.426 1.00 0.00 C ATOM 297 C VAL A 19 -13.336 8.124 -5.421 1.00 0.00 C ATOM 298 O VAL A 19 -14.322 7.389 -5.467 1.00 0.00 O ATOM 299 CB VAL A 19 -12.193 8.971 -3.340 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.593 9.475 -3.037 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.537 8.443 -2.075 1.00 0.00 C ATOM 0 H VAL A 19 -10.270 8.499 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.391 6.916 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.612 9.811 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.543 10.248 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.034 9.890 -3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.208 8.649 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.527 9.226 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.099 7.585 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.514 8.139 -2.296 1.00 0.00 H new ATOM 311 N SER A 20 -13.154 9.147 -6.237 1.00 0.00 N ATOM 312 CA SER A 20 -14.147 9.529 -7.223 1.00 0.00 C ATOM 313 C SER A 20 -14.342 8.437 -8.277 1.00 0.00 C ATOM 314 O SER A 20 -15.462 8.193 -8.723 1.00 0.00 O ATOM 315 CB SER A 20 -13.730 10.843 -7.884 1.00 0.00 C ATOM 316 OG SER A 20 -14.752 11.343 -8.731 1.00 0.00 O ATOM 0 H SER A 20 -12.319 9.733 -6.235 1.00 0.00 H new ATOM 0 HA SER A 20 -15.102 9.664 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.498 11.581 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.819 10.688 -8.462 1.00 0.00 H new ATOM 0 HG SER A 20 -14.457 12.184 -9.138 1.00 0.00 H new ATOM 322 N SER A 21 -13.262 7.763 -8.658 1.00 0.00 N ATOM 323 CA SER A 21 -13.330 6.747 -9.697 1.00 0.00 C ATOM 324 C SER A 21 -14.015 5.479 -9.192 1.00 0.00 C ATOM 325 O SER A 21 -14.878 4.916 -9.868 1.00 0.00 O ATOM 326 CB SER A 21 -11.926 6.413 -10.196 1.00 0.00 C ATOM 327 OG SER A 21 -11.304 7.550 -10.774 1.00 0.00 O ATOM 0 H SER A 21 -12.332 7.903 -8.263 1.00 0.00 H new ATOM 0 HA SER A 21 -13.923 7.148 -10.519 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.320 6.045 -9.368 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.980 5.611 -10.932 1.00 0.00 H new ATOM 0 HG SER A 21 -10.871 8.078 -10.071 1.00 0.00 H new ATOM 333 N LEU A 22 -13.639 5.033 -7.999 1.00 0.00 N ATOM 334 CA LEU A 22 -14.178 3.795 -7.451 1.00 0.00 C ATOM 335 C LEU A 22 -15.485 4.033 -6.696 1.00 0.00 C ATOM 336 O LEU A 22 -16.020 3.117 -6.067 1.00 0.00 O ATOM 337 CB LEU A 22 -13.149 3.144 -6.531 1.00 0.00 C ATOM 338 CG LEU A 22 -11.889 2.659 -7.237 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.832 2.275 -6.221 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.208 1.481 -8.133 1.00 0.00 C ATOM 0 H LEU A 22 -12.967 5.507 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.396 3.126 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.865 3.860 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.615 2.299 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.502 3.470 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.937 1.930 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.585 3.142 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.213 1.476 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.298 1.146 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.615 0.667 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.941 1.781 -8.881 1.00 0.00 H new ATOM 352 N ASN A 23 -15.992 5.266 -6.777 1.00 0.00 N ATOM 353 CA ASN A 23 -17.242 5.655 -6.113 1.00 0.00 C ATOM 354 C ASN A 23 -17.181 5.412 -4.606 1.00 0.00 C ATOM 355 O ASN A 23 -18.187 5.066 -3.982 1.00 0.00 O ATOM 356 CB ASN A 23 -18.430 4.904 -6.720 1.00 0.00 C ATOM 357 CG ASN A 23 -18.690 5.287 -8.166 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.426 6.415 -8.584 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.216 4.354 -8.940 1.00 0.00 N ATOM 0 H ASN A 23 -15.551 6.021 -7.302 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.377 6.725 -6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.245 3.831 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.323 5.107 -6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.417 4.557 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.421 3.431 -8.558 1.00 0.00 H new ATOM 366 N ILE A 24 -15.999 5.601 -4.032 1.00 0.00 N ATOM 367 CA ILE A 24 -15.789 5.413 -2.605 1.00 0.00 C ATOM 368 C ILE A 24 -16.608 6.421 -1.803 1.00 0.00 C ATOM 369 O ILE A 24 -16.474 7.630 -1.991 1.00 0.00 O ATOM 370 CB ILE A 24 -14.298 5.571 -2.236 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.414 4.702 -3.146 1.00 0.00 C ATOM 372 CG2 ILE A 24 -14.072 5.213 -0.772 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.656 3.211 -3.015 1.00 0.00 C ATOM 0 H ILE A 24 -15.163 5.888 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.112 4.401 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.018 6.614 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.581 4.995 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.368 4.909 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.016 5.329 -0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.666 5.874 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.372 4.179 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.991 2.674 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.459 2.899 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.692 2.987 -3.270 1.00 0.00 H new ATOM 385 N PRO A 25 -17.485 5.927 -0.914 1.00 0.00 N ATOM 386 CA PRO A 25 -18.305 6.776 -0.049 1.00 0.00 C ATOM 387 C PRO A 25 -17.454 7.647 0.868 1.00 0.00 C ATOM 388 O PRO A 25 -16.403 7.223 1.359 1.00 0.00 O ATOM 389 CB PRO A 25 -19.125 5.787 0.781 1.00 0.00 C ATOM 390 CG PRO A 25 -19.041 4.488 0.064 1.00 0.00 C ATOM 391 CD PRO A 25 -17.737 4.497 -0.683 1.00 0.00 C ATOM 0 HA PRO A 25 -18.917 7.465 -0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.727 5.702 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.160 6.117 0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.081 3.654 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.880 4.368 -0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.938 4.037 -0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.807 3.945 -1.620 1.00 0.00 H new ATOM 399 N ALA A 26 -17.935 8.867 1.089 1.00 0.00 N ATOM 400 CA ALA A 26 -17.255 9.854 1.920 1.00 0.00 C ATOM 401 C ALA A 26 -16.959 9.313 3.313 1.00 0.00 C ATOM 402 O ALA A 26 -15.986 9.721 3.944 1.00 0.00 O ATOM 403 CB ALA A 26 -18.108 11.102 2.023 1.00 0.00 C ATOM 0 H ALA A 26 -18.814 9.200 0.693 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.301 10.092 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.600 11.840 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.270 11.515 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -19.069 10.850 2.472 1.00 0.00 H new ATOM 409 N ASP A 27 -17.814 8.406 3.783 1.00 0.00 N ATOM 410 CA ASP A 27 -17.629 7.752 5.079 1.00 0.00 C ATOM 411 C ASP A 27 -16.223 7.173 5.215 1.00 0.00 C ATOM 412 O ASP A 27 -15.505 7.478 6.170 1.00 0.00 O ATOM 413 CB ASP A 27 -18.660 6.640 5.259 1.00 0.00 C ATOM 414 CG ASP A 27 -18.461 5.862 6.546 1.00 0.00 C ATOM 415 OD1 ASP A 27 -19.023 6.271 7.584 1.00 0.00 O ATOM 416 OD2 ASP A 27 -17.752 4.833 6.525 1.00 0.00 O ATOM 0 H ASP A 27 -18.649 8.105 3.281 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.765 8.506 5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.660 7.073 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.602 5.956 4.413 1.00 0.00 H new ATOM 421 N TYR A 28 -15.833 6.344 4.253 1.00 0.00 N ATOM 422 CA TYR A 28 -14.510 5.736 4.252 1.00 0.00 C ATOM 423 C TYR A 28 -13.411 6.792 4.168 1.00 0.00 C ATOM 424 O TYR A 28 -12.361 6.652 4.792 1.00 0.00 O ATOM 425 CB TYR A 28 -14.390 4.752 3.088 1.00 0.00 C ATOM 426 CG TYR A 28 -15.096 3.437 3.337 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.409 2.336 3.834 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.454 3.299 3.080 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.055 1.135 4.065 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.107 2.102 3.307 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.402 1.024 3.799 1.00 0.00 C ATOM 432 OH TYR A 28 -17.048 -0.169 4.031 1.00 0.00 O ATOM 0 H TYR A 28 -16.418 6.078 3.461 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.383 5.199 5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.801 5.212 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.335 4.558 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.353 2.420 4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.010 4.142 2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.506 0.289 4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.163 2.012 3.100 1.00 0.00 H new ATOM 0 HH TYR A 28 -17.994 -0.080 3.793 1.00 0.00 H new ATOM 442 N VAL A 29 -13.670 7.850 3.407 1.00 0.00 N ATOM 443 CA VAL A 29 -12.705 8.928 3.213 1.00 0.00 C ATOM 444 C VAL A 29 -12.306 9.570 4.545 1.00 0.00 C ATOM 445 O VAL A 29 -11.122 9.819 4.794 1.00 0.00 O ATOM 446 CB VAL A 29 -13.265 10.003 2.267 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.251 11.113 2.054 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.661 9.378 0.944 1.00 0.00 C ATOM 0 H VAL A 29 -14.550 7.985 2.909 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.816 8.486 2.763 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.152 10.441 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.668 11.863 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.013 11.577 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.343 10.698 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.056 10.148 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.787 8.917 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.425 8.619 1.114 1.00 0.00 H new ATOM 458 N GLU A 30 -13.296 9.819 5.405 1.00 0.00 N ATOM 459 CA GLU A 30 -13.040 10.400 6.726 1.00 0.00 C ATOM 460 C GLU A 30 -12.119 9.493 7.533 1.00 0.00 C ATOM 461 O GLU A 30 -11.266 9.963 8.290 1.00 0.00 O ATOM 462 CB GLU A 30 -14.339 10.596 7.501 1.00 0.00 C ATOM 463 CG GLU A 30 -15.497 11.057 6.643 1.00 0.00 C ATOM 464 CD GLU A 30 -16.759 11.277 7.447 1.00 0.00 C ATOM 465 OE1 GLU A 30 -17.288 12.411 7.442 1.00 0.00 O ATOM 466 OE2 GLU A 30 -17.227 10.321 8.101 1.00 0.00 O ATOM 0 H GLU A 30 -14.279 9.628 5.212 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.566 11.370 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.608 9.657 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.172 11.326 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.225 11.984 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.688 10.316 5.867 1.00 0.00 H new ATOM 473 N LYS A 31 -12.301 8.192 7.360 1.00 0.00 N ATOM 474 CA LYS A 31 -11.503 7.199 8.067 1.00 0.00 C ATOM 475 C LYS A 31 -10.058 7.224 7.596 1.00 0.00 C ATOM 476 O LYS A 31 -9.135 7.222 8.407 1.00 0.00 O ATOM 477 CB LYS A 31 -12.079 5.800 7.873 1.00 0.00 C ATOM 478 CG LYS A 31 -13.503 5.663 8.374 1.00 0.00 C ATOM 479 CD LYS A 31 -13.970 4.219 8.348 1.00 0.00 C ATOM 480 CE LYS A 31 -15.409 4.105 8.833 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.564 4.586 10.231 1.00 0.00 N ATOM 0 H LYS A 31 -13.000 7.796 6.731 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.532 7.451 9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.048 5.546 6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.447 5.079 8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.570 6.049 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.166 6.271 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.891 3.825 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.320 3.611 8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.060 4.682 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.732 3.066 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.492 4.293 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.813 4.178 10.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.496 5.624 10.251 1.00 0.00 H new ATOM 495 N PHE A 32 -9.869 7.254 6.281 1.00 0.00 N ATOM 496 CA PHE A 32 -8.534 7.271 5.691 1.00 0.00 C ATOM 497 C PHE A 32 -7.739 8.480 6.175 1.00 0.00 C ATOM 498 O PHE A 32 -6.524 8.404 6.355 1.00 0.00 O ATOM 499 CB PHE A 32 -8.613 7.279 4.162 1.00 0.00 C ATOM 500 CG PHE A 32 -9.431 6.157 3.583 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.194 6.356 2.443 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.437 4.907 4.179 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.947 5.326 1.910 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.188 3.878 3.652 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.945 4.086 2.516 1.00 0.00 C ATOM 0 H PHE A 32 -10.628 7.267 5.600 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.020 6.364 6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.037 8.229 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.603 7.224 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.200 7.325 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.846 4.736 5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.536 5.492 1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.184 2.909 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.534 3.280 2.103 1.00 0.00 H new ATOM 515 N LYS A 33 -8.434 9.591 6.395 1.00 0.00 N ATOM 516 CA LYS A 33 -7.809 10.807 6.905 1.00 0.00 C ATOM 517 C LYS A 33 -7.216 10.566 8.296 1.00 0.00 C ATOM 518 O LYS A 33 -6.288 11.254 8.719 1.00 0.00 O ATOM 519 CB LYS A 33 -8.838 11.934 6.969 1.00 0.00 C ATOM 520 CG LYS A 33 -8.202 13.308 7.077 1.00 0.00 C ATOM 521 CD LYS A 33 -9.250 14.407 7.113 1.00 0.00 C ATOM 522 CE LYS A 33 -8.610 15.776 7.254 1.00 0.00 C ATOM 523 NZ LYS A 33 -9.625 16.860 7.307 1.00 0.00 N ATOM 0 H LYS A 33 -9.437 9.675 6.227 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.004 11.092 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.465 11.898 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.493 11.774 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.591 13.357 7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.534 13.468 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.846 14.374 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.932 14.235 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.004 15.802 8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.937 15.950 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.147 17.779 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.187 16.852 6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.252 16.709 8.123 1.00 0.00 H new ATOM 537 N LYS A 34 -7.756 9.575 8.993 1.00 0.00 N ATOM 538 CA LYS A 34 -7.291 9.217 10.328 1.00 0.00 C ATOM 539 C LYS A 34 -6.479 7.928 10.279 1.00 0.00 C ATOM 540 O LYS A 34 -6.247 7.282 11.305 1.00 0.00 O ATOM 541 CB LYS A 34 -8.488 9.058 11.273 1.00 0.00 C ATOM 542 CG LYS A 34 -9.142 10.379 11.641 1.00 0.00 C ATOM 543 CD LYS A 34 -10.512 10.176 12.270 1.00 0.00 C ATOM 544 CE LYS A 34 -10.440 9.355 13.546 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.778 9.191 14.167 1.00 0.00 N ATOM 0 H LYS A 34 -8.525 8.999 8.652 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.649 10.014 10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.230 8.412 10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.159 8.557 12.184 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.500 10.921 12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.240 10.997 10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.957 11.147 12.489 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.168 9.678 11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.018 8.374 13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.767 9.839 14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.691 8.626 15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.169 10.126 14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.413 8.706 13.501 1.00 0.00 H new ATOM 559 N TRP A 35 -6.045 7.577 9.070 1.00 0.00 N ATOM 560 CA TRP A 35 -5.302 6.344 8.814 1.00 0.00 C ATOM 561 C TRP A 35 -6.038 5.105 9.330 1.00 0.00 C ATOM 562 O TRP A 35 -5.427 4.198 9.897 1.00 0.00 O ATOM 563 CB TRP A 35 -3.901 6.428 9.418 1.00 0.00 C ATOM 564 CG TRP A 35 -2.983 7.351 8.669 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.946 8.713 8.759 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.970 6.982 7.722 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.972 9.214 7.928 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.362 8.172 7.281 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.518 5.763 7.202 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.326 8.180 6.349 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.491 5.773 6.277 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.096 6.971 5.860 1.00 0.00 C ATOM 0 H TRP A 35 -6.200 8.143 8.236 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.216 6.238 7.733 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.979 6.765 10.452 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.462 5.430 9.440 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.588 9.309 9.390 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.741 10.201 7.812 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.964 4.832 7.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.128 9.105 6.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.136 4.838 5.869 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.898 6.944 5.138 1.00 0.00 H new ATOM 583 N GLU A 36 -7.347 5.069 9.125 1.00 0.00 N ATOM 584 CA GLU A 36 -8.146 3.905 9.472 1.00 0.00 C ATOM 585 C GLU A 36 -8.639 3.230 8.205 1.00 0.00 C ATOM 586 O GLU A 36 -9.434 3.795 7.455 1.00 0.00 O ATOM 587 CB GLU A 36 -9.336 4.287 10.352 1.00 0.00 C ATOM 588 CG GLU A 36 -8.950 4.879 11.690 1.00 0.00 C ATOM 589 CD GLU A 36 -10.148 5.112 12.586 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.950 6.022 12.292 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.294 4.385 13.594 1.00 0.00 O ATOM 0 H GLU A 36 -7.880 5.838 8.718 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.517 3.217 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.956 5.005 9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.948 3.401 10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.250 4.211 12.191 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.430 5.824 11.530 1.00 0.00 H new ATOM 598 N PHE A 37 -8.148 2.029 7.961 1.00 0.00 N ATOM 599 CA PHE A 37 -8.493 1.292 6.755 1.00 0.00 C ATOM 600 C PHE A 37 -9.279 0.036 7.110 1.00 0.00 C ATOM 601 O PHE A 37 -8.686 -0.998 7.417 1.00 0.00 O ATOM 602 CB PHE A 37 -7.220 0.911 5.985 1.00 0.00 C ATOM 603 CG PHE A 37 -6.308 2.077 5.711 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.331 2.731 4.489 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.429 2.524 6.687 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.497 3.806 4.248 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.593 3.597 6.450 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.627 4.238 5.230 1.00 0.00 C ATOM 0 H PHE A 37 -7.506 1.540 8.584 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.112 1.929 6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.673 0.159 6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.502 0.451 5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.008 2.397 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.398 2.026 7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.525 4.308 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.914 3.934 7.219 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.974 5.077 5.042 1.00 0.00 H new ATOM 618 N PRO A 38 -10.623 0.111 7.098 1.00 0.00 N ATOM 619 CA PRO A 38 -11.481 -1.043 7.385 1.00 0.00 C ATOM 620 C PRO A 38 -11.221 -2.211 6.449 1.00 0.00 C ATOM 621 O PRO A 38 -10.917 -2.025 5.267 1.00 0.00 O ATOM 622 CB PRO A 38 -12.894 -0.506 7.169 1.00 0.00 C ATOM 623 CG PRO A 38 -12.771 0.961 7.370 1.00 0.00 C ATOM 624 CD PRO A 38 -11.419 1.321 6.816 1.00 0.00 C ATOM 0 HA PRO A 38 -11.303 -1.432 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.259 -0.740 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.598 -0.946 7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.565 1.498 6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.847 1.222 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.463 1.538 5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.003 2.203 7.303 1.00 0.00 H new ATOM 632 N GLU A 39 -11.342 -3.413 6.985 1.00 0.00 N ATOM 633 CA GLU A 39 -11.151 -4.619 6.204 1.00 0.00 C ATOM 634 C GLU A 39 -12.404 -4.900 5.382 1.00 0.00 C ATOM 635 O GLU A 39 -13.241 -5.737 5.726 1.00 0.00 O ATOM 636 CB GLU A 39 -10.788 -5.788 7.122 1.00 0.00 C ATOM 637 CG GLU A 39 -10.380 -7.058 6.388 1.00 0.00 C ATOM 638 CD GLU A 39 -9.438 -7.919 7.204 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.212 -7.832 6.984 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.911 -8.674 8.078 1.00 0.00 O ATOM 0 H GLU A 39 -11.573 -3.578 7.965 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.322 -4.484 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.971 -5.482 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.642 -6.011 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.272 -7.634 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.901 -6.792 5.446 1.00 0.00 H new ATOM 647 N ASP A 40 -12.520 -4.162 4.293 1.00 0.00 N ATOM 648 CA ASP A 40 -13.691 -4.205 3.429 1.00 0.00 C ATOM 649 C ASP A 40 -13.249 -4.039 1.985 1.00 0.00 C ATOM 650 O ASP A 40 -12.299 -3.305 1.704 1.00 0.00 O ATOM 651 CB ASP A 40 -14.662 -3.082 3.806 1.00 0.00 C ATOM 652 CG ASP A 40 -15.976 -3.171 3.059 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.042 -2.714 1.897 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.952 -3.697 3.635 1.00 0.00 O ATOM 0 H ASP A 40 -11.801 -3.511 3.979 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.198 -5.162 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.855 -3.119 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.195 -2.119 3.599 1.00 0.00 H new ATOM 659 N ASP A 41 -13.951 -4.715 1.077 1.00 0.00 N ATOM 660 CA ASP A 41 -13.579 -4.745 -0.340 1.00 0.00 C ATOM 661 C ASP A 41 -13.532 -3.339 -0.932 1.00 0.00 C ATOM 662 O ASP A 41 -12.776 -3.072 -1.869 1.00 0.00 O ATOM 663 CB ASP A 41 -14.559 -5.608 -1.137 1.00 0.00 C ATOM 664 CG ASP A 41 -14.100 -5.837 -2.564 1.00 0.00 C ATOM 665 OD1 ASP A 41 -14.624 -5.163 -3.479 1.00 0.00 O ATOM 666 OD2 ASP A 41 -13.224 -6.705 -2.780 1.00 0.00 O ATOM 0 H ASP A 41 -14.788 -5.254 1.299 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.582 -5.181 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.680 -6.570 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.538 -5.128 -1.146 1.00 0.00 H new ATOM 671 N THR A 42 -14.340 -2.442 -0.378 1.00 0.00 N ATOM 672 CA THR A 42 -14.347 -1.048 -0.792 1.00 0.00 C ATOM 673 C THR A 42 -12.966 -0.418 -0.590 1.00 0.00 C ATOM 674 O THR A 42 -12.350 0.084 -1.536 1.00 0.00 O ATOM 675 CB THR A 42 -15.387 -0.260 0.018 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.622 -0.985 0.060 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.614 1.109 -0.590 1.00 0.00 C ATOM 0 H THR A 42 -15.003 -2.660 0.365 1.00 0.00 H new ATOM 0 HA THR A 42 -14.604 -1.010 -1.851 1.00 0.00 H new ATOM 0 HB THR A 42 -15.010 -0.130 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.689 -1.468 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.354 1.651 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.677 1.665 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.975 0.998 -1.612 1.00 0.00 H new ATOM 685 N THR A 43 -12.490 -0.469 0.649 1.00 0.00 N ATOM 686 CA THR A 43 -11.176 0.044 1.010 1.00 0.00 C ATOM 687 C THR A 43 -10.074 -0.656 0.217 1.00 0.00 C ATOM 688 O THR A 43 -9.069 -0.046 -0.148 1.00 0.00 O ATOM 689 CB THR A 43 -10.917 -0.173 2.511 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.010 0.357 3.270 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.617 0.492 2.947 1.00 0.00 C ATOM 0 H THR A 43 -13.007 -0.868 1.432 1.00 0.00 H new ATOM 0 HA THR A 43 -11.162 1.109 0.777 1.00 0.00 H new ATOM 0 HB THR A 43 -10.828 -1.244 2.691 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.427 1.092 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.461 0.322 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.785 0.067 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.674 1.564 2.755 1.00 0.00 H new ATOM 699 N MET A 44 -10.284 -1.932 -0.065 1.00 0.00 N ATOM 700 CA MET A 44 -9.266 -2.749 -0.701 1.00 0.00 C ATOM 701 C MET A 44 -8.997 -2.296 -2.133 1.00 0.00 C ATOM 702 O MET A 44 -7.843 -2.141 -2.534 1.00 0.00 O ATOM 703 CB MET A 44 -9.673 -4.219 -0.669 1.00 0.00 C ATOM 704 CG MET A 44 -9.882 -4.744 0.739 1.00 0.00 C ATOM 705 SD MET A 44 -10.378 -6.472 0.788 1.00 0.00 S ATOM 706 CE MET A 44 -10.535 -6.698 2.557 1.00 0.00 C ATOM 0 H MET A 44 -11.154 -2.425 0.138 1.00 0.00 H new ATOM 0 HA MET A 44 -8.340 -2.627 -0.140 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.593 -4.349 -1.240 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.905 -4.814 -1.163 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.959 -4.622 1.305 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.642 -4.141 1.235 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.207 -7.702 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.917 -5.964 3.074 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.577 -6.566 2.850 1.00 0.00 H new ATOM 716 N CYS A 45 -10.057 -2.076 -2.902 1.00 0.00 N ATOM 717 CA CYS A 45 -9.905 -1.582 -4.266 1.00 0.00 C ATOM 718 C CYS A 45 -9.346 -0.165 -4.253 1.00 0.00 C ATOM 719 O CYS A 45 -8.599 0.224 -5.150 1.00 0.00 O ATOM 720 CB CYS A 45 -11.232 -1.622 -5.029 1.00 0.00 C ATOM 721 SG CYS A 45 -11.921 -3.297 -5.250 1.00 0.00 S ATOM 0 H CYS A 45 -11.022 -2.230 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.204 -2.238 -4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.961 -1.009 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.088 -1.169 -6.010 1.00 0.00 H new ATOM 726 N TYR A 46 -9.701 0.594 -3.217 1.00 0.00 N ATOM 727 CA TYR A 46 -9.179 1.939 -3.035 1.00 0.00 C ATOM 728 C TYR A 46 -7.660 1.906 -2.934 1.00 0.00 C ATOM 729 O TYR A 46 -6.965 2.647 -3.629 1.00 0.00 O ATOM 730 CB TYR A 46 -9.796 2.565 -1.780 1.00 0.00 C ATOM 731 CG TYR A 46 -9.041 3.771 -1.259 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.046 4.975 -1.953 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.328 3.703 -0.067 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.362 6.073 -1.472 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.641 4.798 0.417 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.660 5.980 -0.289 1.00 0.00 C ATOM 737 OH TYR A 46 -6.987 7.078 0.192 1.00 0.00 O ATOM 0 H TYR A 46 -10.351 0.294 -2.490 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.447 2.549 -3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.822 2.859 -2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.842 1.810 -0.995 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.593 5.053 -2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.312 2.778 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.377 7.003 -2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.092 4.728 1.344 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.262 6.785 0.782 1.00 0.00 H new ATOM 747 N ILE A 47 -7.159 1.023 -2.080 1.00 0.00 N ATOM 748 CA ILE A 47 -5.726 0.851 -1.906 1.00 0.00 C ATOM 749 C ILE A 47 -5.070 0.412 -3.211 1.00 0.00 C ATOM 750 O ILE A 47 -3.990 0.889 -3.558 1.00 0.00 O ATOM 751 CB ILE A 47 -5.412 -0.174 -0.792 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.847 0.376 0.578 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.931 -0.539 -0.787 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.192 1.693 0.952 1.00 0.00 C ATOM 0 H ILE A 47 -7.729 0.412 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.317 1.817 -1.610 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.977 -1.084 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.929 0.507 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.616 -0.363 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.737 -1.261 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.660 -0.975 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.336 0.358 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.551 2.013 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.110 1.564 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.444 2.449 0.208 1.00 0.00 H new ATOM 766 N LYS A 48 -5.739 -0.473 -3.944 1.00 0.00 N ATOM 767 CA LYS A 48 -5.204 -0.975 -5.197 1.00 0.00 C ATOM 768 C LYS A 48 -5.007 0.168 -6.184 1.00 0.00 C ATOM 769 O LYS A 48 -3.936 0.316 -6.772 1.00 0.00 O ATOM 770 CB LYS A 48 -6.134 -2.024 -5.806 1.00 0.00 C ATOM 771 CG LYS A 48 -5.514 -2.757 -6.987 1.00 0.00 C ATOM 772 CD LYS A 48 -6.458 -3.788 -7.582 1.00 0.00 C ATOM 773 CE LYS A 48 -7.611 -3.144 -8.334 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.142 -2.377 -9.516 1.00 0.00 N ATOM 0 H LYS A 48 -6.650 -0.854 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.241 -1.441 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.407 -2.749 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.056 -1.540 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.236 -2.035 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.596 -3.250 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.903 -4.438 -8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.853 -4.419 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.310 -3.916 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.156 -2.480 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.848 -2.444 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.011 -1.379 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.238 -2.769 -9.848 1.00 0.00 H new ATOM 788 N CYS A 49 -6.050 0.977 -6.354 1.00 0.00 N ATOM 789 CA CYS A 49 -5.995 2.114 -7.262 1.00 0.00 C ATOM 790 C CYS A 49 -4.889 3.089 -6.869 1.00 0.00 C ATOM 791 O CYS A 49 -4.099 3.503 -7.713 1.00 0.00 O ATOM 792 CB CYS A 49 -7.340 2.839 -7.309 1.00 0.00 C ATOM 793 SG CYS A 49 -7.290 4.429 -8.208 1.00 0.00 S ATOM 0 H CYS A 49 -6.943 0.864 -5.874 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.770 1.726 -8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.076 2.189 -7.781 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.681 3.019 -6.289 1.00 0.00 H new ATOM 798 N VAL A 50 -4.826 3.444 -5.584 1.00 0.00 N ATOM 799 CA VAL A 50 -3.847 4.401 -5.093 1.00 0.00 C ATOM 800 C VAL A 50 -2.428 3.896 -5.320 1.00 0.00 C ATOM 801 O VAL A 50 -1.572 4.613 -5.840 1.00 0.00 O ATOM 802 CB VAL A 50 -4.064 4.698 -3.595 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.924 5.524 -3.033 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.378 5.422 -3.393 1.00 0.00 C ATOM 0 H VAL A 50 -5.449 3.077 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.984 5.325 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.092 3.748 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.103 5.719 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.988 4.978 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.861 6.470 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.521 5.627 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.364 6.362 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.196 4.800 -3.756 1.00 0.00 H new ATOM 814 N PHE A 51 -2.201 2.642 -4.961 1.00 0.00 N ATOM 815 CA PHE A 51 -0.899 2.012 -5.120 1.00 0.00 C ATOM 816 C PHE A 51 -0.518 1.926 -6.596 1.00 0.00 C ATOM 817 O PHE A 51 0.659 1.935 -6.954 1.00 0.00 O ATOM 818 CB PHE A 51 -0.922 0.618 -4.488 1.00 0.00 C ATOM 819 CG PHE A 51 -0.563 0.596 -3.028 1.00 0.00 C ATOM 820 CD1 PHE A 51 0.050 -0.516 -2.477 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.840 1.679 -2.206 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.380 -0.550 -1.137 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.512 1.650 -0.866 1.00 0.00 C ATOM 824 CZ PHE A 51 0.099 0.535 -0.331 1.00 0.00 C ATOM 0 H PHE A 51 -2.911 2.034 -4.553 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.148 2.619 -4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.917 0.192 -4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.230 -0.026 -5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.273 -1.367 -3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.318 2.555 -2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.857 -1.424 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.733 2.499 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.357 0.511 0.717 1.00 0.00 H new ATOM 834 N ASN A 52 -1.527 1.859 -7.447 1.00 0.00 N ATOM 835 CA ASN A 52 -1.321 1.787 -8.886 1.00 0.00 C ATOM 836 C ASN A 52 -1.014 3.175 -9.439 1.00 0.00 C ATOM 837 O ASN A 52 -0.140 3.341 -10.287 1.00 0.00 O ATOM 838 CB ASN A 52 -2.568 1.209 -9.560 1.00 0.00 C ATOM 839 CG ASN A 52 -2.433 1.052 -11.067 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.412 1.198 -11.798 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.240 0.734 -11.543 1.00 0.00 N ATOM 0 H ASN A 52 -2.507 1.853 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.474 1.134 -9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.789 0.236 -9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.419 1.856 -9.346 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.110 0.602 -12.546 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.451 0.621 -10.907 1.00 0.00 H new ATOM 848 N LYS A 53 -1.719 4.170 -8.915 1.00 0.00 N ATOM 849 CA LYS A 53 -1.558 5.553 -9.352 1.00 0.00 C ATOM 850 C LYS A 53 -0.200 6.093 -8.931 1.00 0.00 C ATOM 851 O LYS A 53 0.352 6.991 -9.563 1.00 0.00 O ATOM 852 CB LYS A 53 -2.668 6.428 -8.762 1.00 0.00 C ATOM 853 CG LYS A 53 -4.032 6.240 -9.420 1.00 0.00 C ATOM 854 CD LYS A 53 -4.002 6.542 -10.910 1.00 0.00 C ATOM 855 CE LYS A 53 -5.373 6.345 -11.542 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.862 4.948 -11.393 1.00 0.00 N ATOM 0 H LYS A 53 -2.415 4.044 -8.180 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.623 5.577 -10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.758 6.212 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.376 7.474 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.369 5.215 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.760 6.890 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.670 7.568 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.276 5.893 -11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.086 7.029 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.324 6.601 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.579 4.752 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.066 4.288 -11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.284 4.827 -10.450 1.00 0.00 H new ATOM 870 N MET A 54 0.329 5.534 -7.854 1.00 0.00 N ATOM 871 CA MET A 54 1.615 5.949 -7.322 1.00 0.00 C ATOM 872 C MET A 54 2.753 5.108 -7.886 1.00 0.00 C ATOM 873 O MET A 54 3.888 5.202 -7.422 1.00 0.00 O ATOM 874 CB MET A 54 1.593 5.848 -5.801 1.00 0.00 C ATOM 875 CG MET A 54 0.742 6.916 -5.147 1.00 0.00 C ATOM 876 SD MET A 54 0.360 6.547 -3.428 1.00 0.00 S ATOM 877 CE MET A 54 1.957 6.748 -2.653 1.00 0.00 C ATOM 0 H MET A 54 -0.119 4.784 -7.327 1.00 0.00 H new ATOM 0 HA MET A 54 1.790 6.983 -7.621 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.217 4.866 -5.513 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.613 5.922 -5.423 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.262 7.872 -5.202 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.188 7.026 -5.706 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.870 6.550 -1.585 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.667 6.049 -3.095 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.310 7.768 -2.806 1.00 0.00 H new ATOM 887 N GLN A 55 2.428 4.280 -8.886 1.00 0.00 N ATOM 888 CA GLN A 55 3.399 3.404 -9.537 1.00 0.00 C ATOM 889 C GLN A 55 4.124 2.518 -8.529 1.00 0.00 C ATOM 890 O GLN A 55 5.347 2.407 -8.543 1.00 0.00 O ATOM 891 CB GLN A 55 4.400 4.222 -10.351 1.00 0.00 C ATOM 892 CG GLN A 55 4.027 4.364 -11.812 1.00 0.00 C ATOM 893 CD GLN A 55 4.973 5.279 -12.565 1.00 0.00 C ATOM 894 OE1 GLN A 55 6.011 4.845 -13.071 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.612 6.546 -12.663 1.00 0.00 N ATOM 0 H GLN A 55 1.484 4.201 -9.264 1.00 0.00 H new ATOM 0 HA GLN A 55 2.849 2.750 -10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.488 5.215 -9.910 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.382 3.753 -10.280 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.027 3.380 -12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.012 4.753 -11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.745 6.864 -12.230 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.200 7.206 -13.172 1.00 0.00 H new ATOM 904 N LEU A 56 3.354 1.884 -7.660 1.00 0.00 N ATOM 905 CA LEU A 56 3.915 1.058 -6.602 1.00 0.00 C ATOM 906 C LEU A 56 3.343 -0.359 -6.645 1.00 0.00 C ATOM 907 O LEU A 56 3.907 -1.293 -6.071 1.00 0.00 O ATOM 908 CB LEU A 56 3.647 1.727 -5.246 1.00 0.00 C ATOM 909 CG LEU A 56 4.814 2.552 -4.702 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.410 3.291 -3.433 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.018 1.666 -4.436 1.00 0.00 C ATOM 0 H LEU A 56 2.335 1.926 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 56 4.991 0.970 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.775 2.374 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.394 0.956 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 56 5.086 3.290 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.256 3.871 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.578 3.961 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.106 2.571 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.837 2.272 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.754 0.903 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.328 1.186 -5.364 1.00 0.00 H new ATOM 923 N PHE A 57 2.226 -0.513 -7.344 1.00 0.00 N ATOM 924 CA PHE A 57 1.576 -1.808 -7.494 1.00 0.00 C ATOM 925 C PHE A 57 1.080 -1.965 -8.924 1.00 0.00 C ATOM 926 O PHE A 57 0.656 -0.991 -9.554 1.00 0.00 O ATOM 927 CB PHE A 57 0.406 -1.948 -6.498 1.00 0.00 C ATOM 928 CG PHE A 57 -0.417 -3.201 -6.662 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.562 -3.193 -7.448 1.00 0.00 C ATOM 930 CD2 PHE A 57 -0.056 -4.381 -6.029 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.325 -4.335 -7.599 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.817 -5.526 -6.178 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.952 -5.503 -6.964 1.00 0.00 C ATOM 0 H PHE A 57 1.747 0.251 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 57 2.298 -2.595 -7.277 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.805 -1.922 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.249 -1.083 -6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.860 -2.283 -7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.830 -4.406 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.213 -4.314 -8.214 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.524 -6.438 -5.680 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.547 -6.397 -7.082 1.00 0.00 H new ATOM 943 N ASP A 58 1.155 -3.179 -9.433 1.00 0.00 N ATOM 944 CA ASP A 58 0.691 -3.489 -10.777 1.00 0.00 C ATOM 945 C ASP A 58 -0.351 -4.600 -10.706 1.00 0.00 C ATOM 946 O ASP A 58 -0.186 -5.560 -9.954 1.00 0.00 O ATOM 947 CB ASP A 58 1.880 -3.912 -11.651 1.00 0.00 C ATOM 948 CG ASP A 58 1.484 -4.254 -13.073 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.103 -5.411 -13.328 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.575 -3.368 -13.947 1.00 0.00 O ATOM 0 H ASP A 58 1.538 -3.979 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 58 0.234 -2.606 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.614 -3.106 -11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.366 -4.776 -11.198 1.00 0.00 H new ATOM 955 N ASP A 59 -1.425 -4.465 -11.480 1.00 0.00 N ATOM 956 CA ASP A 59 -2.554 -5.405 -11.414 1.00 0.00 C ATOM 957 C ASP A 59 -2.169 -6.793 -11.920 1.00 0.00 C ATOM 958 O ASP A 59 -2.915 -7.757 -11.743 1.00 0.00 O ATOM 959 CB ASP A 59 -3.754 -4.886 -12.213 1.00 0.00 C ATOM 960 CG ASP A 59 -4.469 -3.725 -11.545 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.428 -3.971 -10.782 1.00 0.00 O ATOM 962 OD2 ASP A 59 -4.093 -2.559 -11.791 1.00 0.00 O ATOM 0 H ASP A 59 -1.543 -3.716 -12.162 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.831 -5.486 -10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.415 -4.574 -13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.462 -5.701 -12.362 1.00 0.00 H new ATOM 967 N THR A 60 -1.019 -6.883 -12.568 1.00 0.00 N ATOM 968 CA THR A 60 -0.500 -8.151 -13.048 1.00 0.00 C ATOM 969 C THR A 60 0.634 -8.672 -12.153 1.00 0.00 C ATOM 970 O THR A 60 0.519 -9.734 -11.535 1.00 0.00 O ATOM 971 CB THR A 60 0.015 -8.007 -14.492 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.079 -7.743 -15.385 1.00 0.00 O ATOM 973 CG2 THR A 60 0.766 -9.248 -14.939 1.00 0.00 C ATOM 0 H THR A 60 -0.422 -6.082 -12.775 1.00 0.00 H new ATOM 0 HA THR A 60 -1.319 -8.870 -13.020 1.00 0.00 H new ATOM 0 HB THR A 60 0.709 -7.167 -14.517 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.740 -7.652 -16.300 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.116 -9.113 -15.962 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.620 -9.413 -14.282 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.102 -10.111 -14.894 1.00 0.00 H new ATOM 981 N GLU A 61 1.732 -7.919 -12.093 1.00 0.00 N ATOM 982 CA GLU A 61 2.930 -8.347 -11.377 1.00 0.00 C ATOM 983 C GLU A 61 2.799 -8.183 -9.860 1.00 0.00 C ATOM 984 O GLU A 61 3.657 -8.645 -9.105 1.00 0.00 O ATOM 985 CB GLU A 61 4.141 -7.562 -11.869 1.00 0.00 C ATOM 986 CG GLU A 61 4.164 -7.367 -13.371 1.00 0.00 C ATOM 987 CD GLU A 61 5.444 -6.725 -13.856 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.490 -7.407 -13.858 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.411 -5.543 -14.251 1.00 0.00 O ATOM 0 H GLU A 61 1.815 -7.004 -12.535 1.00 0.00 H new ATOM 0 HA GLU A 61 3.060 -9.409 -11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.153 -6.586 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.049 -8.081 -11.564 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.038 -8.333 -13.861 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.317 -6.747 -13.666 1.00 0.00 H new ATOM 996 N GLY A 62 1.740 -7.527 -9.416 1.00 0.00 N ATOM 997 CA GLY A 62 1.536 -7.332 -7.992 1.00 0.00 C ATOM 998 C GLY A 62 2.389 -6.208 -7.436 1.00 0.00 C ATOM 999 O GLY A 62 2.608 -5.207 -8.119 1.00 0.00 O ATOM 0 H GLY A 62 1.017 -7.125 -10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.485 -7.114 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.769 -8.257 -7.464 1.00 0.00 H new ATOM 1003 N PRO A 63 2.886 -6.339 -6.194 1.00 0.00 N ATOM 1004 CA PRO A 63 3.695 -5.297 -5.559 1.00 0.00 C ATOM 1005 C PRO A 63 5.063 -5.166 -6.215 1.00 0.00 C ATOM 1006 O PRO A 63 5.815 -6.140 -6.311 1.00 0.00 O ATOM 1007 CB PRO A 63 3.821 -5.775 -4.108 1.00 0.00 C ATOM 1008 CG PRO A 63 3.659 -7.250 -4.181 1.00 0.00 C ATOM 1009 CD PRO A 63 2.710 -7.513 -5.316 1.00 0.00 C ATOM 0 HA PRO A 63 3.244 -4.309 -5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.788 -5.503 -3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.057 -5.324 -3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.618 -7.739 -4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.265 -7.645 -3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.952 -8.441 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.681 -7.602 -4.966 1.00 0.00 H new ATOM 1017 N LEU A 64 5.374 -3.966 -6.673 1.00 0.00 N ATOM 1018 CA LEU A 64 6.632 -3.714 -7.359 1.00 0.00 C ATOM 1019 C LEU A 64 7.733 -3.474 -6.341 1.00 0.00 C ATOM 1020 O LEU A 64 7.963 -2.345 -5.911 1.00 0.00 O ATOM 1021 CB LEU A 64 6.502 -2.519 -8.308 1.00 0.00 C ATOM 1022 CG LEU A 64 5.311 -2.602 -9.267 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.189 -1.333 -10.095 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.450 -3.817 -10.171 1.00 0.00 C ATOM 0 H LEU A 64 4.772 -3.148 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 64 6.889 -4.589 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.414 -1.608 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.418 -2.432 -8.892 1.00 0.00 H new ATOM 0 HG LEU A 64 4.401 -2.706 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.336 -1.418 -10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.046 -0.479 -9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.098 -1.191 -10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.598 -3.866 -10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.370 -3.736 -10.750 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.482 -4.721 -9.563 1.00 0.00 H new ATOM 1036 N VAL A 65 8.393 -4.564 -5.966 1.00 0.00 N ATOM 1037 CA VAL A 65 9.405 -4.569 -4.912 1.00 0.00 C ATOM 1038 C VAL A 65 10.443 -3.463 -5.084 1.00 0.00 C ATOM 1039 O VAL A 65 10.800 -2.789 -4.119 1.00 0.00 O ATOM 1040 CB VAL A 65 10.122 -5.931 -4.849 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.282 -5.900 -3.863 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.138 -7.024 -4.477 1.00 0.00 C ATOM 0 H VAL A 65 8.240 -5.480 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 65 8.872 -4.385 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 65 10.531 -6.144 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.767 -6.876 -3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.003 -5.143 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.908 -5.659 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.657 -7.982 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.702 -6.805 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.347 -7.072 -5.225 1.00 0.00 H new ATOM 1052 N ASP A 66 10.919 -3.273 -6.305 1.00 0.00 N ATOM 1053 CA ASP A 66 11.971 -2.296 -6.564 1.00 0.00 C ATOM 1054 C ASP A 66 11.515 -0.876 -6.230 1.00 0.00 C ATOM 1055 O ASP A 66 12.203 -0.153 -5.509 1.00 0.00 O ATOM 1056 CB ASP A 66 12.433 -2.382 -8.012 1.00 0.00 C ATOM 1057 CG ASP A 66 13.633 -1.499 -8.285 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.469 -0.448 -8.936 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.746 -1.849 -7.840 1.00 0.00 O ATOM 0 H ASP A 66 10.597 -3.779 -7.130 1.00 0.00 H new ATOM 0 HA ASP A 66 12.812 -2.534 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.683 -3.416 -8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.614 -2.092 -8.670 1.00 0.00 H new ATOM 1064 N ASN A 67 10.347 -0.484 -6.737 1.00 0.00 N ATOM 1065 CA ASN A 67 9.787 0.833 -6.434 1.00 0.00 C ATOM 1066 C ASN A 67 9.428 0.928 -4.958 1.00 0.00 C ATOM 1067 O ASN A 67 9.573 1.979 -4.338 1.00 0.00 O ATOM 1068 CB ASN A 67 8.547 1.121 -7.283 1.00 0.00 C ATOM 1069 CG ASN A 67 8.868 1.414 -8.736 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.844 0.911 -9.293 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.041 2.233 -9.363 1.00 0.00 N ATOM 0 H ASN A 67 9.772 -1.056 -7.356 1.00 0.00 H new ATOM 0 HA ASN A 67 10.547 1.577 -6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.874 0.265 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.014 1.971 -6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.201 2.468 -10.343 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.243 2.630 -8.867 1.00 0.00 H new ATOM 1078 N LEU A 68 8.968 -0.189 -4.407 1.00 0.00 N ATOM 1079 CA LEU A 68 8.587 -0.266 -3.001 1.00 0.00 C ATOM 1080 C LEU A 68 9.757 0.086 -2.091 1.00 0.00 C ATOM 1081 O LEU A 68 9.626 0.907 -1.187 1.00 0.00 O ATOM 1082 CB LEU A 68 8.048 -1.659 -2.676 1.00 0.00 C ATOM 1083 CG LEU A 68 6.576 -1.864 -3.033 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.228 -3.342 -3.050 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.692 -1.131 -2.042 1.00 0.00 C ATOM 0 H LEU A 68 8.849 -1.063 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 68 7.799 0.465 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.645 -2.400 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.181 -1.848 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 68 6.404 -1.459 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.176 -3.465 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.844 -3.852 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.414 -3.771 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.645 -1.284 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.873 -1.516 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.921 -0.066 -2.069 1.00 0.00 H new ATOM 1097 N VAL A 69 10.902 -0.526 -2.347 1.00 0.00 N ATOM 1098 CA VAL A 69 12.108 -0.244 -1.588 1.00 0.00 C ATOM 1099 C VAL A 69 12.620 1.157 -1.892 1.00 0.00 C ATOM 1100 O VAL A 69 13.066 1.869 -0.999 1.00 0.00 O ATOM 1101 CB VAL A 69 13.198 -1.279 -1.894 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.471 -0.961 -1.136 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.704 -2.668 -1.547 1.00 0.00 C ATOM 0 H VAL A 69 11.021 -1.226 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 69 11.859 -0.303 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 69 13.424 -1.242 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.229 -1.708 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.832 0.025 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.269 -0.971 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.484 -3.397 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.456 -2.711 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.817 -2.897 -2.137 1.00 0.00 H new ATOM 1113 N HIS A 70 12.527 1.557 -3.153 1.00 0.00 N ATOM 1114 CA HIS A 70 12.949 2.889 -3.568 1.00 0.00 C ATOM 1115 C HIS A 70 12.196 3.966 -2.783 1.00 0.00 C ATOM 1116 O HIS A 70 12.748 5.019 -2.472 1.00 0.00 O ATOM 1117 CB HIS A 70 12.711 3.067 -5.074 1.00 0.00 C ATOM 1118 CG HIS A 70 13.266 4.341 -5.645 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.305 4.366 -6.547 1.00 0.00 N ATOM 1120 CD2 HIS A 70 12.913 5.634 -5.450 1.00 0.00 C ATOM 1121 CE1 HIS A 70 14.569 5.617 -6.877 1.00 0.00 C ATOM 1122 NE2 HIS A 70 13.739 6.407 -6.225 1.00 0.00 N ATOM 0 H HIS A 70 12.162 0.977 -3.908 1.00 0.00 H new ATOM 0 HA HIS A 70 14.013 2.996 -3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.155 2.223 -5.602 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.639 3.034 -5.266 1.00 0.00 H new ATOM 0 HD2 HIS A 70 12.125 5.991 -4.803 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.336 5.939 -7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.715 7.425 -6.287 1.00 0.00 H new ATOM 1131 N GLN A 71 10.940 3.693 -2.466 1.00 0.00 N ATOM 1132 CA GLN A 71 10.102 4.661 -1.776 1.00 0.00 C ATOM 1133 C GLN A 71 10.213 4.518 -0.259 1.00 0.00 C ATOM 1134 O GLN A 71 10.526 5.480 0.444 1.00 0.00 O ATOM 1135 CB GLN A 71 8.641 4.495 -2.206 1.00 0.00 C ATOM 1136 CG GLN A 71 7.719 5.578 -1.658 1.00 0.00 C ATOM 1137 CD GLN A 71 8.008 6.962 -2.213 1.00 0.00 C ATOM 1138 OE1 GLN A 71 9.124 7.265 -2.633 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.012 7.830 -2.181 1.00 0.00 N ATOM 0 H GLN A 71 10.478 2.808 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 71 10.452 5.657 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.588 4.501 -3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.281 3.521 -1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.686 5.313 -1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.810 5.605 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.099 7.546 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.156 8.784 -2.511 1.00 0.00 H new ATOM 1148 N LEU A 72 9.933 3.323 0.239 1.00 0.00 N ATOM 1149 CA LEU A 72 9.903 3.074 1.681 1.00 0.00 C ATOM 1150 C LEU A 72 11.266 3.293 2.334 1.00 0.00 C ATOM 1151 O LEU A 72 11.354 3.902 3.399 1.00 0.00 O ATOM 1152 CB LEU A 72 9.407 1.656 1.977 1.00 0.00 C ATOM 1153 CG LEU A 72 7.935 1.397 1.652 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.614 -0.084 1.796 1.00 0.00 C ATOM 1155 CD2 LEU A 72 7.024 2.217 2.557 1.00 0.00 C ATOM 0 H LEU A 72 9.722 2.505 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 72 9.209 3.796 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.016 0.950 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.571 1.445 3.034 1.00 0.00 H new ATOM 0 HG LEU A 72 7.759 1.701 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.563 -0.253 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.236 -0.659 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.813 -0.402 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.983 2.014 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.205 1.946 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.231 3.278 2.417 1.00 0.00 H new ATOM 1167 N ALA A 73 12.325 2.810 1.692 1.00 0.00 N ATOM 1168 CA ALA A 73 13.677 2.912 2.237 1.00 0.00 C ATOM 1169 C ALA A 73 14.255 4.324 2.117 1.00 0.00 C ATOM 1170 O ALA A 73 15.455 4.492 1.901 1.00 0.00 O ATOM 1171 CB ALA A 73 14.587 1.908 1.558 1.00 0.00 C ATOM 0 H ALA A 73 12.273 2.341 0.788 1.00 0.00 H new ATOM 0 HA ALA A 73 13.614 2.687 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.593 1.991 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.208 0.900 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.616 2.109 0.487 1.00 0.00 H new ATOM 1177 N HIS A 74 13.401 5.330 2.239 1.00 0.00 N ATOM 1178 CA HIS A 74 13.842 6.721 2.210 1.00 0.00 C ATOM 1179 C HIS A 74 14.552 7.059 3.519 1.00 0.00 C ATOM 1180 O HIS A 74 13.933 7.544 4.469 1.00 0.00 O ATOM 1181 CB HIS A 74 12.646 7.666 1.986 1.00 0.00 C ATOM 1182 CG HIS A 74 13.026 9.102 1.739 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.573 9.825 0.658 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.794 9.956 2.457 1.00 0.00 C ATOM 1185 CE1 HIS A 74 13.044 11.056 0.723 1.00 0.00 C ATOM 1186 NE2 HIS A 74 13.787 11.163 1.805 1.00 0.00 N ATOM 0 H HIS A 74 12.395 5.210 2.359 1.00 0.00 H new ATOM 0 HA HIS A 74 14.537 6.855 1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.067 7.305 1.136 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.994 7.620 2.858 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.316 9.728 3.375 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.852 11.843 0.009 1.00 0.00 H new ATOM 0 HE2 HIS A 74 14.277 12.005 2.108 1.00 0.00 H new ATOM 1195 N GLY A 75 15.847 6.784 3.568 1.00 0.00 N ATOM 1196 CA GLY A 75 16.625 7.092 4.748 1.00 0.00 C ATOM 1197 C GLY A 75 16.797 5.892 5.655 1.00 0.00 C ATOM 1198 O GLY A 75 16.902 6.041 6.872 1.00 0.00 O ATOM 0 H GLY A 75 16.373 6.352 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.606 7.460 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.139 7.895 5.301 1.00 0.00 H new ATOM 1202 N ARG A 76 16.820 4.703 5.063 1.00 0.00 N ATOM 1203 CA ARG A 76 17.011 3.468 5.815 1.00 0.00 C ATOM 1204 C ARG A 76 17.637 2.395 4.936 1.00 0.00 C ATOM 1205 O ARG A 76 17.714 2.552 3.715 1.00 0.00 O ATOM 1206 CB ARG A 76 15.684 2.960 6.390 1.00 0.00 C ATOM 1207 CG ARG A 76 15.435 3.398 7.822 1.00 0.00 C ATOM 1208 CD ARG A 76 14.319 2.601 8.470 1.00 0.00 C ATOM 1209 NE ARG A 76 14.119 2.987 9.865 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.874 2.128 10.853 1.00 0.00 C ATOM 1211 NH1 ARG A 76 13.789 0.827 10.603 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.709 2.575 12.091 1.00 0.00 N ATOM 0 H ARG A 76 16.708 4.568 4.058 1.00 0.00 H new ATOM 0 HA ARG A 76 17.686 3.687 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.866 3.315 5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.671 1.871 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.350 3.280 8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.182 4.458 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.394 2.752 7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.553 1.538 8.417 1.00 0.00 H new ATOM 0 HE ARG A 76 14.170 3.979 10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.911 0.482 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.601 0.173 11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.770 3.575 12.285 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.521 1.919 12.849 1.00 0.00 H new ATOM 1226 N ASP A 77 18.092 1.318 5.571 1.00 0.00 N ATOM 1227 CA ASP A 77 18.685 0.184 4.867 1.00 0.00 C ATOM 1228 C ASP A 77 17.698 -0.465 3.918 1.00 0.00 C ATOM 1229 O ASP A 77 16.756 -1.140 4.339 1.00 0.00 O ATOM 1230 CB ASP A 77 19.204 -0.860 5.854 1.00 0.00 C ATOM 1231 CG ASP A 77 20.481 -0.423 6.534 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.569 -0.861 6.095 1.00 0.00 O ATOM 1233 OD2 ASP A 77 20.409 0.368 7.498 1.00 0.00 O ATOM 0 H ASP A 77 18.060 1.207 6.584 1.00 0.00 H new ATOM 0 HA ASP A 77 19.519 0.574 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.442 -1.054 6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.378 -1.799 5.328 1.00 0.00 H new ATOM 1238 N ALA A 78 17.942 -0.261 2.633 1.00 0.00 N ATOM 1239 CA ALA A 78 17.122 -0.829 1.574 1.00 0.00 C ATOM 1240 C ALA A 78 17.057 -2.348 1.682 1.00 0.00 C ATOM 1241 O ALA A 78 16.045 -2.959 1.343 1.00 0.00 O ATOM 1242 CB ALA A 78 17.684 -0.422 0.227 1.00 0.00 C ATOM 0 H ALA A 78 18.719 0.306 2.293 1.00 0.00 H new ATOM 0 HA ALA A 78 16.107 -0.445 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.070 -0.847 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.681 0.665 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.705 -0.790 0.133 1.00 0.00 H new ATOM 1248 N GLU A 79 18.142 -2.945 2.164 1.00 0.00 N ATOM 1249 CA GLU A 79 18.217 -4.392 2.361 1.00 0.00 C ATOM 1250 C GLU A 79 17.097 -4.881 3.272 1.00 0.00 C ATOM 1251 O GLU A 79 16.346 -5.798 2.925 1.00 0.00 O ATOM 1252 CB GLU A 79 19.562 -4.773 2.971 1.00 0.00 C ATOM 1253 CG GLU A 79 20.735 -4.612 2.028 1.00 0.00 C ATOM 1254 CD GLU A 79 22.053 -4.873 2.719 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.488 -6.041 2.762 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.658 -3.909 3.236 1.00 0.00 O ATOM 0 H GLU A 79 18.991 -2.445 2.428 1.00 0.00 H new ATOM 0 HA GLU A 79 18.109 -4.866 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.734 -4.161 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.517 -5.810 3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.623 -5.298 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.734 -3.603 1.617 1.00 0.00 H new ATOM 1263 N GLU A 80 16.987 -4.252 4.434 1.00 0.00 N ATOM 1264 CA GLU A 80 15.989 -4.627 5.416 1.00 0.00 C ATOM 1265 C GLU A 80 14.591 -4.325 4.889 1.00 0.00 C ATOM 1266 O GLU A 80 13.677 -5.141 5.014 1.00 0.00 O ATOM 1267 CB GLU A 80 16.255 -3.882 6.721 1.00 0.00 C ATOM 1268 CG GLU A 80 15.242 -4.174 7.807 1.00 0.00 C ATOM 1269 CD GLU A 80 15.654 -3.610 9.145 1.00 0.00 C ATOM 1270 OE1 GLU A 80 15.314 -2.443 9.434 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.329 -4.327 9.916 1.00 0.00 O ATOM 0 H GLU A 80 17.583 -3.474 4.717 1.00 0.00 H new ATOM 0 HA GLU A 80 16.051 -5.698 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.249 -4.146 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.262 -2.810 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.277 -3.756 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.109 -5.252 7.896 1.00 0.00 H new ATOM 1278 N VAL A 81 14.446 -3.156 4.275 1.00 0.00 N ATOM 1279 CA VAL A 81 13.183 -2.741 3.681 1.00 0.00 C ATOM 1280 C VAL A 81 12.702 -3.752 2.637 1.00 0.00 C ATOM 1281 O VAL A 81 11.548 -4.177 2.663 1.00 0.00 O ATOM 1282 CB VAL A 81 13.310 -1.347 3.045 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.019 -0.931 2.362 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.703 -0.341 4.103 1.00 0.00 C ATOM 0 H VAL A 81 15.197 -2.473 4.176 1.00 0.00 H new ATOM 0 HA VAL A 81 12.444 -2.696 4.481 1.00 0.00 H new ATOM 0 HB VAL A 81 14.086 -1.385 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.142 0.059 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.775 -1.648 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.212 -0.905 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.793 0.647 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.941 -0.316 4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.659 -0.628 4.540 1.00 0.00 H new ATOM 1294 N ARG A 82 13.600 -4.138 1.729 1.00 0.00 N ATOM 1295 CA ARG A 82 13.302 -5.140 0.711 1.00 0.00 C ATOM 1296 C ARG A 82 12.822 -6.431 1.352 1.00 0.00 C ATOM 1297 O ARG A 82 11.821 -7.012 0.935 1.00 0.00 O ATOM 1298 CB ARG A 82 14.546 -5.416 -0.131 1.00 0.00 C ATOM 1299 CG ARG A 82 14.266 -6.287 -1.337 1.00 0.00 C ATOM 1300 CD ARG A 82 15.537 -6.610 -2.096 1.00 0.00 C ATOM 1301 NE ARG A 82 16.447 -7.463 -1.328 1.00 0.00 N ATOM 1302 CZ ARG A 82 17.763 -7.525 -1.537 1.00 0.00 C ATOM 1303 NH1 ARG A 82 18.322 -6.782 -2.486 1.00 0.00 N ATOM 1304 NH2 ARG A 82 18.517 -8.329 -0.800 1.00 0.00 N ATOM 0 H ARG A 82 14.548 -3.766 1.681 1.00 0.00 H new ATOM 0 HA ARG A 82 12.510 -4.752 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.969 -4.468 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.299 -5.899 0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.788 -7.212 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.565 -5.779 -1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.281 -7.107 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.047 -5.682 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 82 16.051 -8.044 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.745 -6.163 -3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.328 -6.830 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.091 -8.902 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.523 -8.375 -0.962 1.00 0.00 H new ATOM 1318 N THR A 83 13.534 -6.857 2.382 1.00 0.00 N ATOM 1319 CA THR A 83 13.220 -8.088 3.084 1.00 0.00 C ATOM 1320 C THR A 83 11.829 -8.022 3.724 1.00 0.00 C ATOM 1321 O THR A 83 11.010 -8.927 3.552 1.00 0.00 O ATOM 1322 CB THR A 83 14.292 -8.367 4.153 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.511 -8.784 3.520 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.834 -9.419 5.148 1.00 0.00 C ATOM 0 H THR A 83 14.344 -6.360 2.753 1.00 0.00 H new ATOM 0 HA THR A 83 13.214 -8.904 2.362 1.00 0.00 H new ATOM 0 HB THR A 83 14.463 -7.443 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.022 -7.995 3.242 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.618 -9.588 5.886 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.930 -9.075 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.624 -10.350 4.622 1.00 0.00 H new ATOM 1332 N GLU A 84 11.572 -6.940 4.452 1.00 0.00 N ATOM 1333 CA GLU A 84 10.278 -6.734 5.097 1.00 0.00 C ATOM 1334 C GLU A 84 9.139 -6.717 4.082 1.00 0.00 C ATOM 1335 O GLU A 84 8.088 -7.313 4.320 1.00 0.00 O ATOM 1336 CB GLU A 84 10.263 -5.443 5.915 1.00 0.00 C ATOM 1337 CG GLU A 84 11.090 -5.516 7.186 1.00 0.00 C ATOM 1338 CD GLU A 84 10.700 -6.692 8.058 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.462 -7.679 8.111 1.00 0.00 O ATOM 1340 OE2 GLU A 84 9.621 -6.639 8.683 1.00 0.00 O ATOM 0 H GLU A 84 12.244 -6.190 4.611 1.00 0.00 H new ATOM 0 HA GLU A 84 10.125 -7.577 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.636 -4.627 5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.233 -5.201 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.146 -5.593 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.968 -4.592 7.750 1.00 0.00 H new ATOM 1347 N VAL A 85 9.345 -6.027 2.964 1.00 0.00 N ATOM 1348 CA VAL A 85 8.368 -6.009 1.882 1.00 0.00 C ATOM 1349 C VAL A 85 8.066 -7.426 1.398 1.00 0.00 C ATOM 1350 O VAL A 85 6.906 -7.817 1.279 1.00 0.00 O ATOM 1351 CB VAL A 85 8.872 -5.163 0.694 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.051 -5.439 -0.554 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.829 -3.686 1.039 1.00 0.00 C ATOM 0 H VAL A 85 10.182 -5.472 2.784 1.00 0.00 H new ATOM 0 HA VAL A 85 7.455 -5.562 2.276 1.00 0.00 H new ATOM 0 HB VAL A 85 9.905 -5.444 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.425 -4.831 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.131 -6.494 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.007 -5.190 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.188 -3.104 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.804 -3.396 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.464 -3.496 1.904 1.00 0.00 H new ATOM 1363 N LEU A 86 9.122 -8.190 1.142 1.00 0.00 N ATOM 1364 CA LEU A 86 8.993 -9.547 0.623 1.00 0.00 C ATOM 1365 C LEU A 86 8.228 -10.455 1.585 1.00 0.00 C ATOM 1366 O LEU A 86 7.588 -11.416 1.162 1.00 0.00 O ATOM 1367 CB LEU A 86 10.371 -10.134 0.340 1.00 0.00 C ATOM 1368 CG LEU A 86 11.120 -9.477 -0.811 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.575 -9.901 -0.796 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.473 -9.839 -2.135 1.00 0.00 C ATOM 0 H LEU A 86 10.086 -7.889 1.287 1.00 0.00 H new ATOM 0 HA LEU A 86 8.423 -9.490 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.977 -10.054 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.261 -11.197 0.124 1.00 0.00 H new ATOM 0 HG LEU A 86 11.073 -8.395 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.101 -9.425 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.032 -9.599 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.639 -10.984 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.019 -9.362 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.496 -10.921 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.439 -9.494 -2.141 1.00 0.00 H new ATOM 1382 N LYS A 87 8.287 -10.140 2.876 1.00 0.00 N ATOM 1383 CA LYS A 87 7.549 -10.901 3.886 1.00 0.00 C ATOM 1384 C LYS A 87 6.049 -10.654 3.755 1.00 0.00 C ATOM 1385 O LYS A 87 5.230 -11.376 4.324 1.00 0.00 O ATOM 1386 CB LYS A 87 8.007 -10.521 5.297 1.00 0.00 C ATOM 1387 CG LYS A 87 9.405 -11.002 5.646 1.00 0.00 C ATOM 1388 CD LYS A 87 9.828 -10.517 7.022 1.00 0.00 C ATOM 1389 CE LYS A 87 11.258 -10.916 7.345 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.740 -10.268 8.593 1.00 0.00 N ATOM 0 H LYS A 87 8.836 -9.366 3.249 1.00 0.00 H new ATOM 0 HA LYS A 87 7.754 -11.959 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.972 -9.436 5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.302 -10.932 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.435 -12.091 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.112 -10.644 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.733 -9.432 7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.156 -10.929 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.319 -11.999 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.909 -10.639 6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.780 -10.246 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.373 -9.296 8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.405 -10.808 9.416 1.00 0.00 H new ATOM 1404 N CYS A 88 5.703 -9.628 3.001 1.00 0.00 N ATOM 1405 CA CYS A 88 4.315 -9.247 2.806 1.00 0.00 C ATOM 1406 C CYS A 88 3.867 -9.548 1.376 1.00 0.00 C ATOM 1407 O CYS A 88 2.677 -9.489 1.056 1.00 0.00 O ATOM 1408 CB CYS A 88 4.150 -7.765 3.135 1.00 0.00 C ATOM 1409 SG CYS A 88 4.147 -7.410 4.922 1.00 0.00 S ATOM 0 H CYS A 88 6.372 -9.037 2.508 1.00 0.00 H new ATOM 0 HA CYS A 88 3.682 -9.831 3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.957 -7.205 2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.217 -7.407 2.700 1.00 0.00 H new ATOM 1414 N VAL A 89 4.832 -9.869 0.518 1.00 0.00 N ATOM 1415 CA VAL A 89 4.543 -10.247 -0.852 1.00 0.00 C ATOM 1416 C VAL A 89 4.165 -11.721 -0.920 1.00 0.00 C ATOM 1417 O VAL A 89 4.835 -12.576 -0.332 1.00 0.00 O ATOM 1418 CB VAL A 89 5.746 -9.994 -1.782 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.394 -10.361 -3.211 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.201 -8.546 -1.708 1.00 0.00 C ATOM 0 H VAL A 89 5.824 -9.873 0.754 1.00 0.00 H new ATOM 0 HA VAL A 89 3.711 -9.629 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 89 6.569 -10.625 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.253 -10.177 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.123 -11.416 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.552 -9.754 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.051 -8.397 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.383 -7.892 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.496 -8.309 -0.686 1.00 0.00 H new ATOM 1430 N ASP A 90 3.090 -12.008 -1.630 1.00 0.00 N ATOM 1431 CA ASP A 90 2.608 -13.371 -1.786 1.00 0.00 C ATOM 1432 C ASP A 90 1.731 -13.456 -3.029 1.00 0.00 C ATOM 1433 O ASP A 90 1.269 -12.432 -3.537 1.00 0.00 O ATOM 1434 CB ASP A 90 1.829 -13.809 -0.540 1.00 0.00 C ATOM 1435 CG ASP A 90 1.417 -15.270 -0.573 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.389 -15.614 0.045 1.00 0.00 O ATOM 1437 OD2 ASP A 90 2.124 -16.082 -1.210 1.00 0.00 O ATOM 0 H ASP A 90 2.527 -11.308 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 90 3.457 -14.044 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.441 -13.631 0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.938 -13.189 -0.441 1.00 0.00 H new ATOM 1442 N LYS A 91 1.506 -14.671 -3.505 1.00 0.00 N ATOM 1443 CA LYS A 91 0.755 -14.907 -4.734 1.00 0.00 C ATOM 1444 C LYS A 91 -0.720 -14.570 -4.554 1.00 0.00 C ATOM 1445 O LYS A 91 -1.252 -14.615 -3.443 1.00 0.00 O ATOM 1446 CB LYS A 91 0.891 -16.365 -5.166 1.00 0.00 C ATOM 1447 CG LYS A 91 2.311 -16.883 -5.092 1.00 0.00 C ATOM 1448 CD LYS A 91 2.407 -18.326 -5.548 1.00 0.00 C ATOM 1449 CE LYS A 91 3.838 -18.837 -5.474 1.00 0.00 C ATOM 1450 NZ LYS A 91 4.387 -18.768 -4.093 1.00 0.00 N ATOM 0 H LYS A 91 1.838 -15.523 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 91 1.169 -14.256 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.253 -16.984 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.527 -16.469 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.958 -16.262 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.676 -16.800 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.764 -18.949 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.041 -18.411 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.873 -19.868 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.467 -18.250 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.267 -19.320 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.585 -17.777 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.693 -19.159 -3.424 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.367 -14.244 -5.665 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.781 -13.882 -5.675 1.00 0.00 C ATOM 1466 C ASN A 92 -3.653 -15.118 -5.468 1.00 0.00 C ATOM 1467 O ASN A 92 -4.263 -15.637 -6.403 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.138 -13.193 -6.994 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.563 -12.672 -7.037 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.191 -12.436 -6.002 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.071 -12.469 -8.243 1.00 0.00 N ATOM 0 H ASN A 92 -0.928 -14.223 -6.585 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.968 -13.189 -4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.451 -12.363 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.992 -13.896 -7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.018 -12.103 -8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.515 -12.678 -9.072 1.00 0.00 H new ATOM 1478 N THR A 93 -3.684 -15.591 -4.233 1.00 0.00 N ATOM 1479 CA THR A 93 -4.474 -16.753 -3.862 1.00 0.00 C ATOM 1480 C THR A 93 -5.935 -16.379 -3.643 1.00 0.00 C ATOM 1481 O THR A 93 -6.830 -17.218 -3.754 1.00 0.00 O ATOM 1482 CB THR A 93 -3.910 -17.389 -2.580 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.824 -16.398 -1.544 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.533 -17.974 -2.835 1.00 0.00 C ATOM 0 H THR A 93 -3.162 -15.180 -3.459 1.00 0.00 H new ATOM 0 HA THR A 93 -4.419 -17.470 -4.681 1.00 0.00 H new ATOM 0 HB THR A 93 -4.580 -18.190 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.466 -16.807 -0.729 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.151 -18.419 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.600 -18.739 -3.608 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.857 -17.184 -3.164 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.170 -15.108 -3.345 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.516 -14.622 -3.062 1.00 0.00 C ATOM 1494 C ASP A 94 -8.306 -14.450 -4.355 1.00 0.00 C ATOM 1495 O ASP A 94 -9.536 -14.411 -4.352 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.449 -13.296 -2.301 1.00 0.00 C ATOM 1497 CG ASP A 94 -8.800 -12.849 -1.779 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -9.150 -13.214 -0.636 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -9.508 -12.114 -2.488 1.00 0.00 O ATOM 0 H ASP A 94 -5.445 -14.393 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.027 -15.358 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.757 -13.397 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.045 -12.525 -2.958 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.570 -14.363 -5.463 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.150 -14.228 -6.798 1.00 0.00 C ATOM 1506 C ASN A 95 -8.885 -12.900 -6.957 1.00 0.00 C ATOM 1507 O ASN A 95 -9.760 -12.758 -7.810 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.080 -15.400 -7.113 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.340 -16.717 -7.202 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.174 -16.768 -7.594 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.009 -17.792 -6.836 1.00 0.00 N ATOM 0 H ASN A 95 -6.550 -14.384 -5.459 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.328 -14.241 -7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.847 -15.469 -6.342 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.593 -15.210 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.562 -18.708 -6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.974 -17.708 -6.517 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.515 -11.933 -6.129 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.066 -10.588 -6.208 1.00 0.00 C ATOM 1520 C ASN A 96 -7.952 -9.577 -5.991 1.00 0.00 C ATOM 1521 O ASN A 96 -7.375 -9.498 -4.906 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.187 -10.397 -5.174 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.614 -8.943 -5.009 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.476 -8.126 -5.920 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.147 -8.614 -3.841 1.00 0.00 N ATOM 0 H ASN A 96 -7.827 -12.058 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.500 -10.435 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -11.051 -10.991 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.853 -10.782 -4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.459 -7.657 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.246 -9.318 -3.109 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.659 -8.810 -7.035 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.537 -7.880 -7.027 1.00 0.00 C ATOM 1534 C ALA A 97 -6.683 -6.821 -5.940 1.00 0.00 C ATOM 1535 O ALA A 97 -5.686 -6.340 -5.399 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.388 -7.225 -8.390 1.00 0.00 C ATOM 0 H ALA A 97 -8.190 -8.815 -7.906 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.636 -8.452 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.546 -6.533 -8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.210 -7.991 -9.144 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.300 -6.681 -8.634 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.922 -6.460 -5.611 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.166 -5.483 -4.554 1.00 0.00 C ATOM 1544 C CYS A 98 -7.664 -6.007 -3.212 1.00 0.00 C ATOM 1545 O CYS A 98 -7.032 -5.275 -2.454 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.652 -5.131 -4.443 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.370 -4.410 -5.953 1.00 0.00 S ATOM 0 H CYS A 98 -8.764 -6.825 -6.056 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.618 -4.578 -4.818 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.208 -6.033 -4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.786 -4.428 -3.621 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.910 -7.281 -2.930 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.505 -7.852 -1.652 1.00 0.00 C ATOM 1554 C HIS A 99 -6.033 -8.237 -1.703 1.00 0.00 C ATOM 1555 O HIS A 99 -5.364 -8.300 -0.676 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.367 -9.070 -1.294 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.207 -9.529 0.131 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -8.473 -10.818 0.543 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.818 -8.860 1.246 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -8.254 -10.920 1.840 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -7.856 -9.748 2.290 1.00 0.00 N ATOM 0 H HIS A 99 -8.381 -7.930 -3.560 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.651 -7.101 -0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.415 -8.827 -1.472 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.112 -9.893 -1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.531 -7.820 1.301 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.380 -11.814 2.433 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.615 -9.535 3.258 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.541 -8.485 -2.907 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.134 -8.816 -3.121 1.00 0.00 C ATOM 1572 C TRP A 100 -3.246 -7.644 -2.698 1.00 0.00 C ATOM 1573 O TRP A 100 -2.347 -7.796 -1.867 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.904 -9.164 -4.599 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.521 -9.658 -4.915 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.555 -10.041 -4.031 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.965 -9.846 -6.223 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.429 -10.439 -4.707 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.656 -10.335 -6.053 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.446 -9.646 -7.520 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.175 -10.627 -7.131 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.622 -9.939 -8.588 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.324 -10.425 -8.391 1.00 0.00 C ATOM 0 H TRP A 100 -6.099 -8.464 -3.761 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.871 -9.681 -2.512 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.625 -9.926 -4.896 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.107 -8.280 -5.203 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.661 -10.032 -2.956 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.438 -10.761 -4.276 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.445 -9.269 -7.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.177 -11.000 -6.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.985 -9.791 -9.594 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.295 -10.645 -9.248 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.524 -6.473 -3.261 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.782 -5.265 -2.932 1.00 0.00 C ATOM 1596 C ALA A 101 -3.007 -4.874 -1.480 1.00 0.00 C ATOM 1597 O ALA A 101 -2.080 -4.462 -0.780 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.201 -4.128 -3.849 1.00 0.00 C ATOM 0 H ALA A 101 -4.263 -6.336 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.720 -5.464 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.640 -3.229 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.997 -4.402 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.267 -3.937 -3.727 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.245 -5.025 -1.031 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.619 -4.654 0.322 1.00 0.00 C ATOM 1606 C PHE A 102 -3.908 -5.535 1.341 1.00 0.00 C ATOM 1607 O PHE A 102 -3.556 -5.080 2.426 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.130 -4.748 0.501 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.610 -4.277 1.850 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.027 -5.179 2.818 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.640 -2.925 2.147 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.465 -4.739 4.054 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.076 -2.478 3.379 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.489 -3.385 4.334 1.00 0.00 C ATOM 0 H PHE A 102 -5.010 -5.404 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.312 -3.622 0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.617 -4.157 -0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.441 -5.783 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.009 -6.237 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.318 -2.210 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.788 -5.451 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.094 -1.420 3.595 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.830 -3.038 5.298 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.684 -6.794 0.977 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.020 -7.739 1.862 1.00 0.00 C ATOM 1626 C ARG A 103 -1.567 -7.333 2.048 1.00 0.00 C ATOM 1627 O ARG A 103 -1.014 -7.443 3.142 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.105 -9.157 1.299 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.639 -10.216 2.279 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.797 -11.619 1.717 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.990 -11.833 0.521 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.080 -12.917 -0.241 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.960 -13.869 0.053 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.298 -13.042 -1.301 1.00 0.00 N ATOM 0 H ARG A 103 -3.954 -7.182 0.073 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.523 -7.726 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.135 -9.366 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.502 -9.218 0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.593 -10.042 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.208 -10.130 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.514 -12.346 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.846 -11.797 1.481 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.320 -11.111 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.568 -13.768 0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.027 -14.700 -0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.629 -12.307 -1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.364 -13.873 -1.889 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.966 -6.841 0.972 1.00 0.00 N ATOM 1649 CA GLY A 104 0.402 -6.372 1.033 1.00 0.00 C ATOM 1650 C GLY A 104 0.532 -5.148 1.917 1.00 0.00 C ATOM 1651 O GLY A 104 1.439 -5.060 2.746 1.00 0.00 O ATOM 0 H GLY A 104 -1.405 -6.759 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.043 -7.167 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.751 -6.135 0.028 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.396 -4.213 1.747 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.394 -2.977 2.514 1.00 0.00 C ATOM 1657 C PHE A 105 -0.668 -3.252 3.989 1.00 0.00 C ATOM 1658 O PHE A 105 0.065 -2.788 4.858 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.428 -2.002 1.942 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.651 -0.774 2.785 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.933 -0.364 3.119 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.575 -0.030 3.240 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.135 0.764 3.890 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.772 1.098 4.011 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.053 1.495 4.337 1.00 0.00 C ATOM 0 H PHE A 105 -1.163 -4.291 1.080 1.00 0.00 H new ATOM 0 HA PHE A 105 0.594 -2.523 2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.108 -1.693 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.377 -2.525 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.783 -0.933 2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.430 -0.336 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.138 1.074 4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.076 1.670 4.359 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.209 2.377 4.941 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.710 -4.034 4.257 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.117 -4.342 5.625 1.00 0.00 C ATOM 1677 C LYS A 106 -0.998 -5.055 6.378 1.00 0.00 C ATOM 1678 O LYS A 106 -0.687 -4.709 7.518 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.398 -5.192 5.633 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.562 -6.033 6.885 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.730 -6.994 6.766 1.00 0.00 C ATOM 1682 CE LYS A 106 -4.866 -7.868 8.003 1.00 0.00 C ATOM 1683 NZ LYS A 106 -5.944 -8.879 7.853 1.00 0.00 N ATOM 0 H LYS A 106 -2.291 -4.468 3.540 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.325 -3.401 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.261 -4.534 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.394 -5.848 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.646 -6.594 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.714 -5.380 7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.651 -6.431 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.594 -7.625 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.920 -8.373 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.075 -7.240 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.341 -9.104 8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.694 -8.499 7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.553 -9.743 7.426 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.393 -6.040 5.720 1.00 0.00 N ATOM 1698 CA CYS A 107 0.694 -6.814 6.301 1.00 0.00 C ATOM 1699 C CYS A 107 1.852 -5.911 6.712 1.00 0.00 C ATOM 1700 O CYS A 107 2.392 -6.033 7.812 1.00 0.00 O ATOM 1701 CB CYS A 107 1.161 -7.870 5.290 1.00 0.00 C ATOM 1702 SG CYS A 107 2.751 -8.671 5.688 1.00 0.00 S ATOM 0 H CYS A 107 -0.643 -6.322 4.772 1.00 0.00 H new ATOM 0 HA CYS A 107 0.332 -7.312 7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.393 -8.640 5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.243 -7.401 4.310 1.00 0.00 H new ATOM 1707 N PHE A 108 2.203 -4.980 5.837 1.00 0.00 N ATOM 1708 CA PHE A 108 3.367 -4.141 6.050 1.00 0.00 C ATOM 1709 C PHE A 108 3.084 -3.069 7.102 1.00 0.00 C ATOM 1710 O PHE A 108 3.880 -2.867 8.015 1.00 0.00 O ATOM 1711 CB PHE A 108 3.793 -3.505 4.730 1.00 0.00 C ATOM 1712 CG PHE A 108 5.202 -2.983 4.731 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.245 -3.794 4.314 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.485 -1.690 5.140 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.542 -3.326 4.306 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.784 -1.217 5.133 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.813 -2.038 4.714 1.00 0.00 C ATOM 0 H PHE A 108 1.696 -4.789 4.973 1.00 0.00 H new ATOM 0 HA PHE A 108 4.182 -4.762 6.422 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.690 -4.242 3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.113 -2.686 4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.040 -4.804 3.992 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.683 -1.045 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.346 -3.969 3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.994 -0.208 5.454 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.829 -1.671 4.706 1.00 0.00 H new ATOM 1727 N GLN A 109 1.934 -2.405 6.991 1.00 0.00 N ATOM 1728 CA GLN A 109 1.579 -1.321 7.907 1.00 0.00 C ATOM 1729 C GLN A 109 1.282 -1.846 9.309 1.00 0.00 C ATOM 1730 O GLN A 109 1.196 -1.077 10.265 1.00 0.00 O ATOM 1731 CB GLN A 109 0.382 -0.527 7.371 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.935 -1.288 7.350 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.929 -0.784 8.383 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.925 0.393 8.745 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.787 -1.669 8.865 1.00 0.00 N ATOM 0 H GLN A 109 1.232 -2.598 6.276 1.00 0.00 H new ATOM 0 HA GLN A 109 2.439 -0.655 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.257 0.369 7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.609 -0.195 6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.379 -1.208 6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.740 -2.346 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.759 -2.636 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.476 -1.384 9.561 1.00 0.00 H new ATOM 1744 N LYS A 110 1.123 -3.155 9.424 1.00 0.00 N ATOM 1745 CA LYS A 110 0.878 -3.785 10.706 1.00 0.00 C ATOM 1746 C LYS A 110 2.125 -3.714 11.577 1.00 0.00 C ATOM 1747 O LYS A 110 2.043 -3.491 12.786 1.00 0.00 O ATOM 1748 CB LYS A 110 0.473 -5.240 10.491 1.00 0.00 C ATOM 1749 CG LYS A 110 0.057 -5.950 11.758 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.130 -7.441 11.522 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.751 -8.126 12.728 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.124 -7.630 13.008 1.00 0.00 N ATOM 0 H LYS A 110 1.160 -3.803 8.637 1.00 0.00 H new ATOM 0 HA LYS A 110 0.070 -3.257 11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.350 -5.277 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.308 -5.777 10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.811 -5.794 12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.873 -5.519 12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.764 -7.595 10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.834 -7.898 11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.783 -9.202 12.557 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.121 -7.961 13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.620 -8.309 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.069 -6.708 13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.644 -7.525 12.114 1.00 0.00 H new ATOM 1766 N ASN A 111 3.282 -3.878 10.954 1.00 0.00 N ATOM 1767 CA ASN A 111 4.531 -3.961 11.695 1.00 0.00 C ATOM 1768 C ASN A 111 5.432 -2.771 11.401 1.00 0.00 C ATOM 1769 O ASN A 111 6.250 -2.383 12.233 1.00 0.00 O ATOM 1770 CB ASN A 111 5.263 -5.257 11.352 1.00 0.00 C ATOM 1771 CG ASN A 111 4.389 -6.486 11.530 1.00 0.00 C ATOM 1772 OD1 ASN A 111 3.725 -6.931 10.595 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.370 -7.034 12.734 1.00 0.00 N ATOM 0 H ASN A 111 3.382 -3.956 9.942 1.00 0.00 H new ATOM 0 HA ASN A 111 4.287 -3.950 12.757 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.612 -5.211 10.321 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.146 -5.349 11.984 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.791 -7.854 12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.935 -6.636 13.484 1.00 0.00 H new ATOM 1780 N ASN A 112 5.273 -2.189 10.221 1.00 0.00 N ATOM 1781 CA ASN A 112 6.157 -1.121 9.773 1.00 0.00 C ATOM 1782 C ASN A 112 5.356 0.049 9.208 1.00 0.00 C ATOM 1783 O ASN A 112 5.487 0.399 8.035 1.00 0.00 O ATOM 1784 CB ASN A 112 7.127 -1.660 8.716 1.00 0.00 C ATOM 1785 CG ASN A 112 8.125 -2.653 9.285 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.711 -2.427 10.343 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.304 -3.777 8.603 1.00 0.00 N ATOM 0 H ASN A 112 4.540 -2.438 9.556 1.00 0.00 H new ATOM 0 HA ASN A 112 6.725 -0.759 10.630 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.559 -2.139 7.919 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.667 -0.827 8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.945 -4.489 8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.800 -3.929 7.729 1.00 0.00 H new ATOM 1794 N LEU A 113 4.525 0.659 10.049 1.00 0.00 N ATOM 1795 CA LEU A 113 3.685 1.774 9.615 1.00 0.00 C ATOM 1796 C LEU A 113 4.458 3.088 9.645 1.00 0.00 C ATOM 1797 O LEU A 113 4.213 3.988 8.837 1.00 0.00 O ATOM 1798 CB LEU A 113 2.427 1.880 10.486 1.00 0.00 C ATOM 1799 CG LEU A 113 1.547 3.100 10.220 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.967 3.040 8.817 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.440 3.181 11.256 1.00 0.00 C ATOM 0 H LEU A 113 4.415 0.403 11.030 1.00 0.00 H new ATOM 0 HA LEU A 113 3.381 1.578 8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.827 0.982 10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.730 1.893 11.533 1.00 0.00 H new ATOM 0 HG LEU A 113 2.159 3.999 10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.343 3.916 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.778 3.022 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.364 2.138 8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.181 4.054 11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.172 2.281 11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.878 3.266 12.251 1.00 0.00 H new ATOM 1813 N SER A 114 5.402 3.190 10.569 1.00 0.00 N ATOM 1814 CA SER A 114 6.195 4.402 10.719 1.00 0.00 C ATOM 1815 C SER A 114 7.046 4.631 9.469 1.00 0.00 C ATOM 1816 O SER A 114 7.251 5.769 9.043 1.00 0.00 O ATOM 1817 CB SER A 114 7.079 4.304 11.966 1.00 0.00 C ATOM 1818 OG SER A 114 7.700 5.545 12.257 1.00 0.00 O ATOM 0 H SER A 114 5.638 2.447 11.227 1.00 0.00 H new ATOM 0 HA SER A 114 5.524 5.252 10.840 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.476 3.988 12.818 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.842 3.540 11.814 1.00 0.00 H new ATOM 0 HG SER A 114 8.256 5.452 13.058 1.00 0.00 H new ATOM 1824 N LEU A 115 7.511 3.537 8.873 1.00 0.00 N ATOM 1825 CA LEU A 115 8.303 3.601 7.657 1.00 0.00 C ATOM 1826 C LEU A 115 7.456 4.108 6.498 1.00 0.00 C ATOM 1827 O LEU A 115 7.948 4.795 5.610 1.00 0.00 O ATOM 1828 CB LEU A 115 8.866 2.221 7.328 1.00 0.00 C ATOM 1829 CG LEU A 115 9.839 2.179 6.152 1.00 0.00 C ATOM 1830 CD1 LEU A 115 11.055 3.034 6.452 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.251 0.747 5.852 1.00 0.00 C ATOM 0 H LEU A 115 7.349 2.591 9.218 1.00 0.00 H new ATOM 0 HA LEU A 115 9.129 4.295 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.372 1.833 8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.035 1.548 7.115 1.00 0.00 H new ATOM 0 HG LEU A 115 9.340 2.581 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.743 2.997 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.742 4.064 6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.555 2.656 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.944 0.736 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.736 0.317 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.368 0.159 5.601 1.00 0.00 H new ATOM 1843 N ILE A 116 6.174 3.770 6.527 1.00 0.00 N ATOM 1844 CA ILE A 116 5.238 4.218 5.507 1.00 0.00 C ATOM 1845 C ILE A 116 5.029 5.726 5.610 1.00 0.00 C ATOM 1846 O ILE A 116 4.990 6.434 4.603 1.00 0.00 O ATOM 1847 CB ILE A 116 3.885 3.481 5.633 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.067 2.006 5.275 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.828 4.121 4.744 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.822 1.174 5.488 1.00 0.00 C ATOM 0 H ILE A 116 5.758 3.184 7.250 1.00 0.00 H new ATOM 0 HA ILE A 116 5.662 3.984 4.530 1.00 0.00 H new ATOM 0 HB ILE A 116 3.541 3.559 6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.371 1.929 4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.878 1.592 5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.887 3.582 4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.687 5.161 5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.153 4.078 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.025 0.139 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.528 1.221 6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.014 1.562 4.867 1.00 0.00 H new ATOM 1862 N LYS A 117 4.925 6.204 6.840 1.00 0.00 N ATOM 1863 CA LYS A 117 4.754 7.625 7.106 1.00 0.00 C ATOM 1864 C LYS A 117 6.003 8.406 6.705 1.00 0.00 C ATOM 1865 O LYS A 117 5.913 9.493 6.138 1.00 0.00 O ATOM 1866 CB LYS A 117 4.441 7.849 8.585 1.00 0.00 C ATOM 1867 CG LYS A 117 3.060 7.349 8.992 1.00 0.00 C ATOM 1868 CD LYS A 117 2.790 7.554 10.478 1.00 0.00 C ATOM 1869 CE LYS A 117 1.341 7.246 10.826 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.402 8.214 10.200 1.00 0.00 N ATOM 0 H LYS A 117 4.956 5.623 7.678 1.00 0.00 H new ATOM 0 HA LYS A 117 3.918 7.989 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.195 7.344 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.514 8.914 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.300 7.871 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.973 6.289 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.450 6.912 11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.021 8.583 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.095 6.237 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.215 7.267 11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.399 8.385 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.897 9.110 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.050 7.825 9.302 1.00 0.00 H new ATOM 1884 N ALA A 118 7.168 7.838 6.995 1.00 0.00 N ATOM 1885 CA ALA A 118 8.436 8.458 6.638 1.00 0.00 C ATOM 1886 C ALA A 118 8.708 8.342 5.141 1.00 0.00 C ATOM 1887 O ALA A 118 9.447 9.146 4.572 1.00 0.00 O ATOM 1888 CB ALA A 118 9.559 7.820 7.429 1.00 0.00 C ATOM 0 H ALA A 118 7.259 6.945 7.479 1.00 0.00 H new ATOM 0 HA ALA A 118 8.380 9.519 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.506 8.287 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.378 7.958 8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.603 6.754 7.204 1.00 0.00 H new ATOM 1894 N SER A 119 8.107 7.341 4.518 1.00 0.00 N ATOM 1895 CA SER A 119 8.278 7.090 3.093 1.00 0.00 C ATOM 1896 C SER A 119 7.738 8.248 2.254 1.00 0.00 C ATOM 1897 O SER A 119 8.390 8.703 1.313 1.00 0.00 O ATOM 1898 CB SER A 119 7.569 5.789 2.712 1.00 0.00 C ATOM 1899 OG SER A 119 7.813 5.444 1.366 1.00 0.00 O ATOM 0 H SER A 119 7.487 6.679 4.984 1.00 0.00 H new ATOM 0 HA SER A 119 9.345 6.999 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.909 4.984 3.363 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.496 5.897 2.873 1.00 0.00 H new ATOM 0 HG SER A 119 7.098 4.856 1.044 1.00 0.00 H new ATOM 1905 N ILE A 120 6.554 8.727 2.606 1.00 0.00 N ATOM 1906 CA ILE A 120 5.912 9.812 1.870 1.00 0.00 C ATOM 1907 C ILE A 120 6.342 11.174 2.404 1.00 0.00 C ATOM 1908 O ILE A 120 5.938 12.217 1.890 1.00 0.00 O ATOM 1909 CB ILE A 120 4.379 9.703 1.951 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.935 9.558 3.406 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.893 8.531 1.119 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.440 9.654 3.599 1.00 0.00 C ATOM 0 H ILE A 120 6.015 8.381 3.400 1.00 0.00 H new ATOM 0 HA ILE A 120 6.226 9.721 0.830 1.00 0.00 H new ATOM 0 HB ILE A 120 3.938 10.615 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.280 8.597 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.419 10.331 4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.807 8.464 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.186 8.677 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.337 7.609 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.202 9.542 4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.090 10.625 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.948 8.865 3.031 1.00 0.00 H new ATOM 1924 N LYS A 121 7.169 11.153 3.432 1.00 0.00 N ATOM 1925 CA LYS A 121 7.603 12.367 4.088 1.00 0.00 C ATOM 1926 C LYS A 121 8.837 12.945 3.404 1.00 0.00 C ATOM 1927 O LYS A 121 9.865 12.278 3.284 1.00 0.00 O ATOM 1928 CB LYS A 121 7.898 12.064 5.554 1.00 0.00 C ATOM 1929 CG LYS A 121 8.265 13.286 6.375 1.00 0.00 C ATOM 1930 CD LYS A 121 8.492 12.926 7.835 1.00 0.00 C ATOM 1931 CE LYS A 121 7.229 12.380 8.483 1.00 0.00 C ATOM 1932 NZ LYS A 121 7.429 12.079 9.925 1.00 0.00 N ATOM 0 H LYS A 121 7.556 10.298 3.832 1.00 0.00 H new ATOM 0 HA LYS A 121 6.809 13.111 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 121 7.024 11.589 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.714 11.344 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.167 13.743 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.470 14.028 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 121 9.288 12.185 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.828 13.809 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.422 13.105 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.917 11.474 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.545 11.709 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.181 11.369 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.701 12.948 10.427 1.00 0.00 H new ATOM 1946 N LYS A 122 8.721 14.179 2.939 1.00 0.00 N ATOM 1947 CA LYS A 122 9.845 14.870 2.332 1.00 0.00 C ATOM 1948 C LYS A 122 10.772 15.415 3.406 1.00 0.00 C ATOM 1949 O LYS A 122 10.361 15.620 4.550 1.00 0.00 O ATOM 1950 CB LYS A 122 9.352 16.007 1.435 1.00 0.00 C ATOM 1951 CG LYS A 122 8.462 17.020 2.135 1.00 0.00 C ATOM 1952 CD LYS A 122 8.080 18.161 1.208 1.00 0.00 C ATOM 1953 CE LYS A 122 7.246 19.209 1.926 1.00 0.00 C ATOM 1954 NZ LYS A 122 5.942 18.667 2.390 1.00 0.00 N ATOM 0 H LYS A 122 7.858 14.722 2.971 1.00 0.00 H new ATOM 0 HA LYS A 122 10.398 14.158 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.216 16.526 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.804 15.579 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.560 16.525 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.979 17.417 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 122 8.982 18.624 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.520 17.769 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.804 19.591 2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.070 20.052 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.379 19.432 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.426 18.264 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.107 17.925 3.100 1.00 0.00 H new ATOM 1968 N ASP A 123 12.019 15.635 3.036 1.00 0.00 N ATOM 1969 CA ASP A 123 12.999 16.188 3.958 1.00 0.00 C ATOM 1970 C ASP A 123 13.030 17.703 3.828 1.00 0.00 C ATOM 1971 O ASP A 123 12.388 18.391 4.651 1.00 0.00 O ATOM 1972 CB ASP A 123 14.396 15.617 3.695 1.00 0.00 C ATOM 1973 CG ASP A 123 14.464 14.111 3.856 1.00 0.00 C ATOM 1974 OD1 ASP A 123 14.661 13.408 2.839 1.00 0.00 O ATOM 1975 OD2 ASP A 123 14.329 13.616 4.996 1.00 0.00 O ATOM 1976 OXT ASP A 123 13.669 18.204 2.879 1.00 0.00 O ATOM 0 H ASP A 123 12.380 15.440 2.102 1.00 0.00 H new ATOM 0 HA ASP A 123 12.705 15.912 4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.706 15.883 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.106 16.082 4.379 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.341 6.559 2.501 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.703 5.317 1.938 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.614 5.713 0.951 1.00 0.00 C HETATM 1985 C4 ACD A 201 -1.848 4.489 0.454 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.154 3.831 1.613 1.00 0.00 C HETATM 1987 C6 ACD A 201 0.062 4.195 1.927 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.703 5.348 1.197 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.966 5.774 1.895 1.00 0.00 C HETATM 1990 C9 ACD A 201 3.114 5.237 1.565 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.180 4.241 0.443 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.569 3.671 0.347 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.737 2.387 0.174 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.550 1.494 -0.040 1.00 0.00 C HETATM 1995 C14 ACD A 201 3.061 1.004 1.298 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.975 -0.279 1.533 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.473 -1.261 0.509 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.606 -2.644 1.134 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.829 -3.711 0.068 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.011 -5.082 0.711 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.092 -6.177 -0.349 1.00 0.00 C HETATM 2002 O1 ACD A 201 -5.554 6.749 2.299 1.00 0.00 O HETATM 2003 O2 ACD A 201 -3.630 7.356 3.140 1.00 0.00 O HETATM 0 H203 ACD A 201 3.173 -6.185 -0.935 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.940 -5.985 -1.007 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.222 -7.144 0.136 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.919 -5.087 1.314 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.179 -5.285 1.385 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.980 -3.733 -0.615 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.709 -3.462 -0.525 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.438 -2.650 1.838 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.706 -2.877 1.703 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.784 -1.299 -0.335 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.437 -0.935 0.119 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.758 2.037 -0.555 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.822 0.650 -0.674 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.460 3.441 0.612 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.908 4.721 -0.497 1.00 0.00 H new HETATM 0 H9 ACD A 201 4.020 5.513 2.104 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.925 6.532 2.678 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.928 5.057 0.171 1.00 0.00 H new HETATM 0 H71 ACD A 201 0.008 6.186 1.146 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.608 3.669 2.710 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.661 3.056 2.188 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.532 3.786 -0.021 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.119 4.784 -0.301 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.059 6.235 0.104 1.00 0.00 H new HETATM 0 H31 ACD A 201 -1.923 6.409 1.427 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.279 4.716 2.742 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.454 4.702 1.441 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.544 -0.636 2.468 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.779 1.720 2.070 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.741 1.963 0.185 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.435 4.329 0.422 1.00 0.00 H new