USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1213 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 93 ASNHD21 : A 93 ASN OD1 : A 153 CACA :(metal ligand) USER MOD NoAdj : A 93 ASNHD22 : A 93 ASN OD1 : A 153 CACA :(metal ligand) USER MOD Set 1.1: A 105 MET CE :methyl 159:sc= -0.0408 (180deg=-0.287) USER MOD Set 1.2: A 120 MET CE :methyl 160:sc= -0.0901 (180deg=-0.561) USER MOD Set 2.1: A 103 HIS : no HD1:sc= 0.0233 X(o=0.049,f=-0.37) USER MOD Set 2.2: A 107 ASN : amide:sc= 0.0252 X(o=0.049,f=-0.37) USER MOD Set 3.1: A 73 LYS NZ :NH3+ 161:sc= 1.81 (180deg=0.962) USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 0.507 USER MOD Set 4.1: A 56 ASN : amide:sc= 0.0509 X(o=0.11,f=0) USER MOD Set 4.2: A 58 THR OG1 : rot -102:sc= 0.0597 USER MOD Single : A 1 THR N :NH3+ -139:sc= 0.0231 (180deg=-0.124) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00303) USER MOD Single : A 13 SER OG : rot 75:sc= 0.595 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -89:sc= 1.28 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= -0.0174 (180deg=-0.166) USER MOD Single : A 30 THR OG1 : rot 64:sc= 1.19 USER MOD Single : A 32 MET CE :methyl 140:sc= -0.232 (180deg=-2.63!) USER MOD Single : A 34 SER OG : rot 77:sc= 0.731 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 40 THR OG1 : rot -71:sc= 0.626 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 47 MET CE :methyl -155:sc= -0.0397 (180deg=-0.38) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 66 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 67 MET CE :methyl -172:sc= 0 (180deg=-0.0957) USER MOD Single : A 68 MET CE :methyl -167:sc= 0 (180deg=-0.301) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 168:sc= -0.95 (180deg=-1.12) USER MOD Single : A 77 SER OG : rot -79:sc= 0.649 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 106 THR OG1 : rot 71:sc= 0.00323 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -79:sc= 1.2 USER MOD Single : A 131 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.0045) USER MOD Single : A 133 ASN : amide:sc= 0.071 K(o=0.071,f=-10!) USER MOD Single : A 134 TYR OH : rot 165:sc= -0.0805 USER MOD Single : A 139 GLN : amide:sc= 0.0495 X(o=0.049,f=0) USER MOD Single : A 140 MET CE :methyl 180:sc= -0.451 (180deg=-0.451) USER MOD Single : A 141 MET CE :methyl -156:sc= -0.0576 (180deg=-1.15) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : B 1 ARG N :NH3+ -173:sc= 1.25 (180deg=1.11) USER MOD Single : B 3 LYS NZ :NH3+ -129:sc= 0.919 (180deg=-0.12) USER MOD Single : B 5 GLN : amide:sc= -0.324 K(o=-0.32,f=-0.99) USER MOD Single : B 6 LYS NZ :NH3+ 154:sc= 1.16 (180deg=0.195) USER MOD Single : B 7 THR OG1 : rot 84:sc= 0.89 USER MOD Single : B 9 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.13) USER MOD Single : B 18 SER OG : rot 179:sc= 1.16 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.047 6.482 16.879 1.00 0.00 N ATOM 2 CA THR A 1 4.296 5.698 16.755 1.00 0.00 C ATOM 3 C THR A 1 3.914 4.260 16.834 1.00 0.00 C ATOM 4 O THR A 1 3.897 3.537 15.839 1.00 0.00 O ATOM 5 CB THR A 1 5.327 6.102 17.767 1.00 0.00 C ATOM 6 OG1 THR A 1 4.798 6.169 19.082 1.00 0.00 O ATOM 7 CG2 THR A 1 5.839 7.535 17.544 1.00 0.00 C ATOM 0 H1 THR A 1 3.069 7.277 16.209 1.00 0.00 H new ATOM 0 H2 THR A 1 2.232 5.872 16.666 1.00 0.00 H new ATOM 0 H3 THR A 1 2.962 6.848 17.849 1.00 0.00 H new ATOM 0 HA THR A 1 4.782 5.894 15.799 1.00 0.00 H new ATOM 0 HB THR A 1 6.103 5.345 17.653 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.506 6.434 19.706 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.583 7.778 18.303 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.292 7.610 16.555 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.006 8.234 17.616 1.00 0.00 H new ATOM 14 N GLU A 2 3.672 3.716 18.040 1.00 0.00 N ATOM 15 CA GLU A 2 3.550 2.378 18.530 1.00 0.00 C ATOM 16 C GLU A 2 2.684 1.475 17.720 1.00 0.00 C ATOM 17 O GLU A 2 3.017 0.333 17.408 1.00 0.00 O ATOM 18 CB GLU A 2 3.176 2.378 20.022 1.00 0.00 C ATOM 19 CG GLU A 2 1.748 2.838 20.320 1.00 0.00 C ATOM 20 CD GLU A 2 1.473 4.281 19.925 1.00 0.00 C ATOM 21 OE1 GLU A 2 1.976 5.183 20.648 1.00 0.00 O ATOM 22 OE2 GLU A 2 0.874 4.646 18.878 1.00 0.00 O ATOM 0 H GLU A 2 3.536 4.356 18.822 1.00 0.00 H new ATOM 0 HA GLU A 2 4.540 1.936 18.418 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.309 1.371 20.417 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.871 3.024 20.557 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.049 2.188 19.794 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.553 2.719 21.386 1.00 0.00 H new ATOM 29 N GLU A 3 1.575 1.992 17.161 1.00 0.00 N ATOM 30 CA GLU A 3 0.586 1.267 16.425 1.00 0.00 C ATOM 31 C GLU A 3 0.880 1.210 14.965 1.00 0.00 C ATOM 32 O GLU A 3 0.702 0.240 14.230 1.00 0.00 O ATOM 33 CB GLU A 3 -0.821 1.797 16.746 1.00 0.00 C ATOM 34 CG GLU A 3 -1.362 1.373 18.114 1.00 0.00 C ATOM 35 CD GLU A 3 -1.202 -0.118 18.370 1.00 0.00 C ATOM 36 OE1 GLU A 3 -1.863 -0.924 17.663 1.00 0.00 O ATOM 37 OE2 GLU A 3 -0.277 -0.484 19.144 1.00 0.00 O ATOM 0 H GLU A 3 1.355 2.986 17.229 1.00 0.00 H new ATOM 0 HA GLU A 3 0.620 0.228 16.752 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -0.805 2.886 16.697 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.510 1.453 15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.843 1.930 18.894 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.417 1.638 18.181 1.00 0.00 H new ATOM 44 N GLN A 4 1.481 2.285 14.426 1.00 0.00 N ATOM 45 CA GLN A 4 1.939 2.245 13.071 1.00 0.00 C ATOM 46 C GLN A 4 3.104 1.333 12.896 1.00 0.00 C ATOM 47 O GLN A 4 3.162 0.513 11.981 1.00 0.00 O ATOM 48 CB GLN A 4 2.341 3.675 12.672 1.00 0.00 C ATOM 49 CG GLN A 4 1.251 4.749 12.720 1.00 0.00 C ATOM 50 CD GLN A 4 1.682 6.137 12.268 1.00 0.00 C ATOM 51 OE1 GLN A 4 2.881 6.408 12.245 1.00 0.00 O ATOM 52 NE2 GLN A 4 0.765 7.073 11.903 1.00 0.00 N ATOM 0 H GLN A 4 1.648 3.165 14.915 1.00 0.00 H new ATOM 0 HA GLN A 4 1.138 1.862 12.439 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.155 3.991 13.324 1.00 0.00 H new ATOM 0 HB3 GLN A 4 2.739 3.643 11.658 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.418 4.425 12.097 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.877 4.818 13.742 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.230 6.847 11.922 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.072 8.001 11.610 1.00 0.00 H new ATOM 61 N ILE A 5 4.184 1.400 13.695 1.00 0.00 N ATOM 62 CA ILE A 5 5.363 0.603 13.564 1.00 0.00 C ATOM 63 C ILE A 5 5.043 -0.853 13.579 1.00 0.00 C ATOM 64 O ILE A 5 5.639 -1.619 12.824 1.00 0.00 O ATOM 65 CB ILE A 5 6.290 0.973 14.684 1.00 0.00 C ATOM 66 CG1 ILE A 5 6.722 2.448 14.741 1.00 0.00 C ATOM 67 CG2 ILE A 5 7.513 0.047 14.796 1.00 0.00 C ATOM 68 CD1 ILE A 5 7.550 2.916 13.545 1.00 0.00 C ATOM 0 H ILE A 5 4.236 2.050 14.479 1.00 0.00 H new ATOM 0 HA ILE A 5 5.840 0.798 12.604 1.00 0.00 H new ATOM 0 HB ILE A 5 5.660 0.821 15.560 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.831 3.071 14.815 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.300 2.609 15.651 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.141 0.372 15.626 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.180 -0.976 14.972 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.086 0.088 13.870 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.809 3.967 13.671 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.462 2.323 13.479 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.970 2.792 12.630 1.00 0.00 H new ATOM 80 N ALA A 6 4.176 -1.367 14.469 1.00 0.00 N ATOM 81 CA ALA A 6 3.528 -2.632 14.623 1.00 0.00 C ATOM 82 C ALA A 6 2.740 -3.113 13.453 1.00 0.00 C ATOM 83 O ALA A 6 2.626 -4.284 13.097 1.00 0.00 O ATOM 84 CB ALA A 6 2.590 -2.585 15.841 1.00 0.00 C ATOM 0 H ALA A 6 3.876 -0.760 15.232 1.00 0.00 H new ATOM 0 HA ALA A 6 4.347 -3.341 14.744 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.096 -3.550 15.958 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.169 -2.363 16.738 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.839 -1.809 15.692 1.00 0.00 H new ATOM 90 N GLU A 7 2.001 -2.136 12.898 1.00 0.00 N ATOM 91 CA GLU A 7 1.312 -2.458 11.687 1.00 0.00 C ATOM 92 C GLU A 7 2.107 -2.578 10.432 1.00 0.00 C ATOM 93 O GLU A 7 1.748 -3.365 9.558 1.00 0.00 O ATOM 94 CB GLU A 7 0.279 -1.319 11.634 1.00 0.00 C ATOM 95 CG GLU A 7 -0.794 -1.710 10.617 1.00 0.00 C ATOM 96 CD GLU A 7 -2.102 -1.104 11.106 1.00 0.00 C ATOM 97 OE1 GLU A 7 -2.589 -1.527 12.188 1.00 0.00 O ATOM 98 OE2 GLU A 7 -2.511 -0.052 10.546 1.00 0.00 O ATOM 0 H GLU A 7 1.883 -1.188 13.255 1.00 0.00 H new ATOM 0 HA GLU A 7 0.917 -3.474 11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.165 -1.160 12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.757 -0.383 11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.541 -1.336 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.875 -2.794 10.538 1.00 0.00 H new ATOM 105 N PHE A 8 3.216 -1.844 10.232 1.00 0.00 N ATOM 106 CA PHE A 8 4.210 -2.124 9.243 1.00 0.00 C ATOM 107 C PHE A 8 4.975 -3.370 9.530 1.00 0.00 C ATOM 108 O PHE A 8 5.290 -4.133 8.618 1.00 0.00 O ATOM 109 CB PHE A 8 5.159 -0.916 9.166 1.00 0.00 C ATOM 110 CG PHE A 8 4.638 0.385 8.660 1.00 0.00 C ATOM 111 CD1 PHE A 8 3.955 0.449 7.468 1.00 0.00 C ATOM 112 CD2 PHE A 8 4.753 1.534 9.407 1.00 0.00 C ATOM 113 CE1 PHE A 8 3.463 1.633 6.971 1.00 0.00 C ATOM 114 CE2 PHE A 8 4.209 2.705 8.934 1.00 0.00 C ATOM 115 CZ PHE A 8 3.693 2.798 7.663 1.00 0.00 C ATOM 0 H PHE A 8 3.430 -1.015 10.787 1.00 0.00 H new ATOM 0 HA PHE A 8 3.712 -2.290 8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.554 -0.744 10.167 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.001 -1.200 8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.800 -0.459 6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.266 1.517 10.357 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.903 1.647 6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.187 3.573 9.577 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.475 3.759 7.221 1.00 0.00 H new ATOM 125 N LYS A 9 5.313 -3.564 10.817 1.00 0.00 N ATOM 126 CA LYS A 9 5.919 -4.768 11.295 1.00 0.00 C ATOM 127 C LYS A 9 5.210 -6.038 10.970 1.00 0.00 C ATOM 128 O LYS A 9 5.778 -7.022 10.500 1.00 0.00 O ATOM 129 CB LYS A 9 6.096 -4.685 12.820 1.00 0.00 C ATOM 130 CG LYS A 9 6.902 -5.907 13.266 1.00 0.00 C ATOM 131 CD LYS A 9 8.384 -5.840 12.891 1.00 0.00 C ATOM 132 CE LYS A 9 9.368 -6.759 13.617 1.00 0.00 C ATOM 133 NZ LYS A 9 8.930 -8.167 13.493 1.00 0.00 N ATOM 0 H LYS A 9 5.161 -2.866 11.545 1.00 0.00 H new ATOM 0 HA LYS A 9 6.869 -4.821 10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.613 -3.766 13.095 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.126 -4.666 13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.815 -6.013 14.347 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.464 -6.801 12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.465 -6.047 11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.717 -4.813 13.043 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.367 -6.642 13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.431 -6.480 14.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.621 -8.788 13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.000 -8.282 13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.860 -8.421 12.487 1.00 0.00 H new ATOM 147 N GLU A 10 3.881 -6.054 11.174 1.00 0.00 N ATOM 148 CA GLU A 10 3.015 -7.172 10.959 1.00 0.00 C ATOM 149 C GLU A 10 2.865 -7.480 9.509 1.00 0.00 C ATOM 150 O GLU A 10 2.785 -8.615 9.041 1.00 0.00 O ATOM 151 CB GLU A 10 1.597 -6.884 11.479 1.00 0.00 C ATOM 152 CG GLU A 10 0.689 -8.116 11.500 1.00 0.00 C ATOM 153 CD GLU A 10 1.135 -9.042 12.622 1.00 0.00 C ATOM 154 OE1 GLU A 10 1.570 -8.613 13.724 1.00 0.00 O ATOM 155 OE2 GLU A 10 1.052 -10.280 12.404 1.00 0.00 O ATOM 0 H GLU A 10 3.379 -5.232 11.511 1.00 0.00 H new ATOM 0 HA GLU A 10 3.472 -8.007 11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.665 -6.476 12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.139 -6.116 10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.348 -7.816 11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.736 -8.635 10.543 1.00 0.00 H new ATOM 162 N ALA A 11 2.871 -6.464 8.627 1.00 0.00 N ATOM 163 CA ALA A 11 2.940 -6.489 7.199 1.00 0.00 C ATOM 164 C ALA A 11 4.134 -7.138 6.588 1.00 0.00 C ATOM 165 O ALA A 11 4.055 -7.995 5.710 1.00 0.00 O ATOM 166 CB ALA A 11 2.745 -5.053 6.684 1.00 0.00 C ATOM 0 H ALA A 11 2.821 -5.503 8.964 1.00 0.00 H new ATOM 0 HA ALA A 11 2.137 -7.150 6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.794 -5.047 5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.773 -4.680 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.530 -4.413 7.086 1.00 0.00 H new ATOM 172 N PHE A 12 5.331 -6.759 7.071 1.00 0.00 N ATOM 173 CA PHE A 12 6.628 -7.301 6.808 1.00 0.00 C ATOM 174 C PHE A 12 6.764 -8.763 7.063 1.00 0.00 C ATOM 175 O PHE A 12 7.288 -9.521 6.248 1.00 0.00 O ATOM 176 CB PHE A 12 7.614 -6.552 7.721 1.00 0.00 C ATOM 177 CG PHE A 12 9.000 -6.758 7.214 1.00 0.00 C ATOM 178 CD1 PHE A 12 9.757 -7.852 7.563 1.00 0.00 C ATOM 179 CD2 PHE A 12 9.563 -5.888 6.311 1.00 0.00 C ATOM 180 CE1 PHE A 12 11.075 -8.022 7.209 1.00 0.00 C ATOM 181 CE2 PHE A 12 10.858 -6.071 5.885 1.00 0.00 C ATOM 182 CZ PHE A 12 11.614 -7.141 6.302 1.00 0.00 C ATOM 0 H PHE A 12 5.392 -5.978 7.724 1.00 0.00 H new ATOM 0 HA PHE A 12 6.824 -7.172 5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.375 -5.489 7.741 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.530 -6.917 8.745 1.00 0.00 H new ATOM 0 HD1 PHE A 12 9.287 -8.626 8.152 1.00 0.00 H new ATOM 0 HD2 PHE A 12 8.986 -5.057 5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 12 11.667 -8.821 7.630 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.293 -5.354 5.204 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.615 -7.287 5.923 1.00 0.00 H new ATOM 192 N SER A 13 6.127 -9.258 8.139 1.00 0.00 N ATOM 193 CA SER A 13 6.129 -10.604 8.622 1.00 0.00 C ATOM 194 C SER A 13 5.550 -11.631 7.711 1.00 0.00 C ATOM 195 O SER A 13 5.963 -12.788 7.761 1.00 0.00 O ATOM 196 CB SER A 13 5.493 -10.732 10.016 1.00 0.00 C ATOM 197 OG SER A 13 6.268 -9.911 10.877 1.00 0.00 O ATOM 0 H SER A 13 5.554 -8.653 8.728 1.00 0.00 H new ATOM 0 HA SER A 13 7.194 -10.828 8.678 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.452 -10.409 10.001 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.500 -11.768 10.354 1.00 0.00 H new ATOM 0 HG SER A 13 6.051 -8.969 10.714 1.00 0.00 H new ATOM 203 N LEU A 14 4.711 -11.117 6.794 1.00 0.00 N ATOM 204 CA LEU A 14 4.039 -11.886 5.793 1.00 0.00 C ATOM 205 C LEU A 14 5.005 -12.444 4.805 1.00 0.00 C ATOM 206 O LEU A 14 5.000 -13.628 4.472 1.00 0.00 O ATOM 207 CB LEU A 14 3.002 -11.082 4.991 1.00 0.00 C ATOM 208 CG LEU A 14 2.403 -11.675 3.704 1.00 0.00 C ATOM 209 CD1 LEU A 14 1.632 -12.976 3.980 1.00 0.00 C ATOM 210 CD2 LEU A 14 1.420 -10.652 3.110 1.00 0.00 C ATOM 0 H LEU A 14 4.492 -10.122 6.748 1.00 0.00 H new ATOM 0 HA LEU A 14 3.530 -12.673 6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.173 -10.859 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.462 -10.130 4.727 1.00 0.00 H new ATOM 0 HG LEU A 14 3.221 -11.897 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.225 -13.363 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.307 -13.714 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.817 -12.775 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.984 -11.055 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.628 -10.448 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.950 -9.727 2.883 1.00 0.00 H new ATOM 222 N PHE A 15 5.773 -11.527 4.191 1.00 0.00 N ATOM 223 CA PHE A 15 6.705 -11.761 3.132 1.00 0.00 C ATOM 224 C PHE A 15 7.771 -12.752 3.450 1.00 0.00 C ATOM 225 O PHE A 15 7.950 -13.793 2.820 1.00 0.00 O ATOM 226 CB PHE A 15 7.294 -10.509 2.461 1.00 0.00 C ATOM 227 CG PHE A 15 6.366 -9.554 1.792 1.00 0.00 C ATOM 228 CD1 PHE A 15 5.839 -8.525 2.536 1.00 0.00 C ATOM 229 CD2 PHE A 15 5.929 -9.704 0.497 1.00 0.00 C ATOM 230 CE1 PHE A 15 4.986 -7.593 1.995 1.00 0.00 C ATOM 231 CE2 PHE A 15 5.110 -8.777 -0.102 1.00 0.00 C ATOM 232 CZ PHE A 15 4.621 -7.756 0.679 1.00 0.00 C ATOM 0 H PHE A 15 5.738 -10.543 4.458 1.00 0.00 H new ATOM 0 HA PHE A 15 6.057 -12.214 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.847 -9.956 3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.019 -10.842 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.104 -8.446 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.238 -10.573 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.616 -6.764 2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.859 -8.848 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.924 -7.056 0.242 1.00 0.00 H new ATOM 242 N ASP A 16 8.548 -12.398 4.490 1.00 0.00 N ATOM 243 CA ASP A 16 9.674 -13.080 5.047 1.00 0.00 C ATOM 244 C ASP A 16 9.246 -14.432 5.505 1.00 0.00 C ATOM 245 O ASP A 16 8.586 -14.557 6.535 1.00 0.00 O ATOM 246 CB ASP A 16 10.352 -12.180 6.094 1.00 0.00 C ATOM 247 CG ASP A 16 11.458 -12.871 6.879 1.00 0.00 C ATOM 248 OD1 ASP A 16 12.090 -13.867 6.438 1.00 0.00 O ATOM 249 OD2 ASP A 16 11.870 -12.279 7.912 1.00 0.00 O ATOM 0 H ASP A 16 8.361 -11.532 4.996 1.00 0.00 H new ATOM 0 HA ASP A 16 10.455 -13.271 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.768 -11.306 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.597 -11.818 6.792 1.00 0.00 H new ATOM 254 N LYS A 17 9.682 -15.448 4.739 1.00 0.00 N ATOM 255 CA LYS A 17 9.454 -16.831 5.019 1.00 0.00 C ATOM 256 C LYS A 17 10.262 -17.468 6.097 1.00 0.00 C ATOM 257 O LYS A 17 9.869 -18.503 6.634 1.00 0.00 O ATOM 258 CB LYS A 17 9.640 -17.609 3.705 1.00 0.00 C ATOM 259 CG LYS A 17 8.774 -18.869 3.648 1.00 0.00 C ATOM 260 CD LYS A 17 8.905 -19.564 2.291 1.00 0.00 C ATOM 261 CE LYS A 17 8.398 -21.004 2.196 1.00 0.00 C ATOM 262 NZ LYS A 17 6.919 -20.999 2.263 1.00 0.00 N ATOM 0 H LYS A 17 10.219 -15.298 3.885 1.00 0.00 H new ATOM 0 HA LYS A 17 8.442 -16.873 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.391 -16.962 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.688 -17.886 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.071 -19.555 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.731 -18.606 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.370 -18.967 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.957 -19.556 2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.731 -21.460 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.810 -21.603 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.565 -21.975 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.614 -20.578 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.538 -20.440 1.473 1.00 0.00 H new ATOM 276 N ASP A 18 11.351 -16.784 6.490 1.00 0.00 N ATOM 277 CA ASP A 18 12.154 -17.159 7.613 1.00 0.00 C ATOM 278 C ASP A 18 11.467 -16.660 8.837 1.00 0.00 C ATOM 279 O ASP A 18 11.160 -17.414 9.760 1.00 0.00 O ATOM 280 CB ASP A 18 13.624 -16.711 7.662 1.00 0.00 C ATOM 281 CG ASP A 18 14.272 -17.020 6.319 1.00 0.00 C ATOM 282 OD1 ASP A 18 14.344 -18.238 6.005 1.00 0.00 O ATOM 283 OD2 ASP A 18 14.693 -16.089 5.582 1.00 0.00 O ATOM 0 H ASP A 18 11.683 -15.946 6.013 1.00 0.00 H new ATOM 0 HA ASP A 18 12.235 -18.243 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.687 -15.644 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.151 -17.229 8.464 1.00 0.00 H new ATOM 288 N GLY A 19 11.306 -15.330 8.957 1.00 0.00 N ATOM 289 CA GLY A 19 11.223 -14.542 10.147 1.00 0.00 C ATOM 290 C GLY A 19 12.580 -14.220 10.671 1.00 0.00 C ATOM 291 O GLY A 19 12.952 -14.667 11.755 1.00 0.00 O ATOM 0 H GLY A 19 11.225 -14.745 8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.681 -13.619 9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.655 -15.081 10.905 1.00 0.00 H new ATOM 295 N ASP A 20 13.351 -13.407 9.926 1.00 0.00 N ATOM 296 CA ASP A 20 14.586 -12.884 10.423 1.00 0.00 C ATOM 297 C ASP A 20 14.530 -11.397 10.502 1.00 0.00 C ATOM 298 O ASP A 20 15.068 -10.780 11.420 1.00 0.00 O ATOM 299 CB ASP A 20 15.683 -13.479 9.525 1.00 0.00 C ATOM 300 CG ASP A 20 15.691 -13.146 8.040 1.00 0.00 C ATOM 301 OD1 ASP A 20 14.632 -12.982 7.377 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.792 -13.182 7.428 1.00 0.00 O ATOM 0 H ASP A 20 13.118 -13.112 8.978 1.00 0.00 H new ATOM 0 HA ASP A 20 14.806 -13.171 11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.645 -13.171 9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.630 -14.564 9.617 1.00 0.00 H new ATOM 307 N GLY A 21 13.679 -10.805 9.645 1.00 0.00 N ATOM 308 CA GLY A 21 13.573 -9.390 9.472 1.00 0.00 C ATOM 309 C GLY A 21 14.086 -8.831 8.190 1.00 0.00 C ATOM 310 O GLY A 21 14.230 -7.622 8.013 1.00 0.00 O ATOM 0 H GLY A 21 13.040 -11.333 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.523 -9.114 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.106 -8.907 10.291 1.00 0.00 H new ATOM 314 N THR A 22 14.335 -9.719 7.211 1.00 0.00 N ATOM 315 CA THR A 22 14.779 -9.521 5.866 1.00 0.00 C ATOM 316 C THR A 22 13.891 -10.248 4.916 1.00 0.00 C ATOM 317 O THR A 22 13.653 -11.443 5.082 1.00 0.00 O ATOM 318 CB THR A 22 16.203 -9.834 5.516 1.00 0.00 C ATOM 319 OG1 THR A 22 17.097 -9.355 6.510 1.00 0.00 O ATOM 320 CG2 THR A 22 16.634 -9.196 4.184 1.00 0.00 C ATOM 0 H THR A 22 14.205 -10.714 7.395 1.00 0.00 H new ATOM 0 HA THR A 22 14.723 -8.436 5.776 1.00 0.00 H new ATOM 0 HB THR A 22 16.248 -10.920 5.440 1.00 0.00 H new ATOM 0 HG1 THR A 22 17.363 -8.437 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.673 -9.453 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 22 16.000 -9.570 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 22 16.535 -8.113 4.251 1.00 0.00 H new ATOM 328 N ILE A 23 13.414 -9.529 3.884 1.00 0.00 N ATOM 329 CA ILE A 23 12.700 -10.021 2.747 1.00 0.00 C ATOM 330 C ILE A 23 13.657 -10.057 1.605 1.00 0.00 C ATOM 331 O ILE A 23 14.173 -9.080 1.063 1.00 0.00 O ATOM 332 CB ILE A 23 11.479 -9.286 2.277 1.00 0.00 C ATOM 333 CG1 ILE A 23 10.579 -8.656 3.353 1.00 0.00 C ATOM 334 CG2 ILE A 23 10.639 -10.253 1.426 1.00 0.00 C ATOM 335 CD1 ILE A 23 9.747 -7.537 2.728 1.00 0.00 C ATOM 0 H ILE A 23 13.540 -8.518 3.844 1.00 0.00 H new ATOM 0 HA ILE A 23 12.311 -10.982 3.084 1.00 0.00 H new ATOM 0 HB ILE A 23 11.863 -8.430 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.924 -9.413 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.188 -8.261 4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.744 -9.742 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.226 -10.590 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.350 -11.113 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.108 -7.089 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.411 -6.776 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.128 -7.946 1.930 1.00 0.00 H new ATOM 347 N THR A 24 13.970 -11.271 1.120 1.00 0.00 N ATOM 348 CA THR A 24 14.760 -11.552 -0.039 1.00 0.00 C ATOM 349 C THR A 24 14.001 -11.661 -1.317 1.00 0.00 C ATOM 350 O THR A 24 12.775 -11.740 -1.269 1.00 0.00 O ATOM 351 CB THR A 24 15.515 -12.834 0.152 1.00 0.00 C ATOM 352 OG1 THR A 24 14.697 -13.995 0.185 1.00 0.00 O ATOM 353 CG2 THR A 24 16.362 -12.893 1.434 1.00 0.00 C ATOM 0 H THR A 24 13.644 -12.124 1.575 1.00 0.00 H new ATOM 0 HA THR A 24 15.419 -10.689 -0.133 1.00 0.00 H new ATOM 0 HB THR A 24 16.154 -12.833 -0.731 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.259 -14.788 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.872 -13.855 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 24 17.100 -12.091 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.715 -12.775 2.303 1.00 0.00 H new ATOM 361 N THR A 25 14.725 -11.699 -2.450 1.00 0.00 N ATOM 362 CA THR A 25 14.184 -11.810 -3.769 1.00 0.00 C ATOM 363 C THR A 25 13.315 -13.007 -3.952 1.00 0.00 C ATOM 364 O THR A 25 12.321 -12.911 -4.669 1.00 0.00 O ATOM 365 CB THR A 25 15.286 -11.847 -4.786 1.00 0.00 C ATOM 366 OG1 THR A 25 16.378 -12.707 -4.494 1.00 0.00 O ATOM 367 CG2 THR A 25 15.832 -10.410 -4.827 1.00 0.00 C ATOM 0 H THR A 25 15.744 -11.650 -2.445 1.00 0.00 H new ATOM 0 HA THR A 25 13.561 -10.927 -3.912 1.00 0.00 H new ATOM 0 HB THR A 25 14.864 -12.230 -5.715 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.036 -12.657 -5.218 1.00 0.00 H new ATOM 0 HG21 THR A 25 16.645 -10.350 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.035 -9.726 -5.120 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.203 -10.133 -3.840 1.00 0.00 H new ATOM 375 N LYS A 26 13.637 -14.149 -3.319 1.00 0.00 N ATOM 376 CA LYS A 26 12.938 -15.395 -3.257 1.00 0.00 C ATOM 377 C LYS A 26 11.635 -15.269 -2.544 1.00 0.00 C ATOM 378 O LYS A 26 10.553 -15.610 -3.019 1.00 0.00 O ATOM 379 CB LYS A 26 13.711 -16.558 -2.612 1.00 0.00 C ATOM 380 CG LYS A 26 15.161 -16.559 -3.102 1.00 0.00 C ATOM 381 CD LYS A 26 16.031 -17.730 -2.643 1.00 0.00 C ATOM 382 CE LYS A 26 17.495 -17.550 -3.050 1.00 0.00 C ATOM 383 NZ LYS A 26 17.657 -17.223 -4.484 1.00 0.00 N ATOM 0 H LYS A 26 14.502 -14.200 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 26 12.794 -15.641 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.686 -16.465 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.234 -17.506 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.154 -16.545 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.633 -15.633 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.965 -17.828 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.647 -18.656 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.939 -16.757 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.044 -18.465 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.665 -17.262 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.128 -17.910 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.292 -16.266 -4.665 1.00 0.00 H new ATOM 397 N GLU A 27 11.589 -14.767 -1.297 1.00 0.00 N ATOM 398 CA GLU A 27 10.487 -14.580 -0.406 1.00 0.00 C ATOM 399 C GLU A 27 9.508 -13.590 -0.937 1.00 0.00 C ATOM 400 O GLU A 27 8.313 -13.883 -0.924 1.00 0.00 O ATOM 401 CB GLU A 27 11.094 -14.108 0.925 1.00 0.00 C ATOM 402 CG GLU A 27 11.952 -15.173 1.611 1.00 0.00 C ATOM 403 CD GLU A 27 12.634 -14.654 2.869 1.00 0.00 C ATOM 404 OE1 GLU A 27 13.340 -13.611 2.890 1.00 0.00 O ATOM 405 OE2 GLU A 27 12.423 -15.343 3.903 1.00 0.00 O ATOM 0 H GLU A 27 12.452 -14.449 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 27 9.926 -15.506 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.703 -13.222 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.290 -13.811 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.327 -16.028 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.709 -15.530 0.913 1.00 0.00 H new ATOM 412 N LEU A 28 9.991 -12.429 -1.415 1.00 0.00 N ATOM 413 CA LEU A 28 9.237 -11.436 -2.114 1.00 0.00 C ATOM 414 C LEU A 28 8.731 -11.886 -3.441 1.00 0.00 C ATOM 415 O LEU A 28 7.549 -11.832 -3.777 1.00 0.00 O ATOM 416 CB LEU A 28 10.185 -10.250 -2.364 1.00 0.00 C ATOM 417 CG LEU A 28 9.521 -9.006 -2.977 1.00 0.00 C ATOM 418 CD1 LEU A 28 8.628 -8.258 -1.972 1.00 0.00 C ATOM 419 CD2 LEU A 28 10.699 -8.046 -3.218 1.00 0.00 C ATOM 0 H LEU A 28 10.971 -12.168 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 28 8.368 -11.192 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.647 -9.968 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.987 -10.578 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 28 8.925 -9.297 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.184 -7.388 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.837 -8.922 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.229 -7.933 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.329 -7.120 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.190 -7.827 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.413 -8.510 -3.898 1.00 0.00 H new ATOM 431 N GLY A 29 9.564 -12.521 -4.284 1.00 0.00 N ATOM 432 CA GLY A 29 9.194 -13.130 -5.524 1.00 0.00 C ATOM 433 C GLY A 29 8.166 -14.208 -5.489 1.00 0.00 C ATOM 434 O GLY A 29 7.306 -14.211 -6.368 1.00 0.00 O ATOM 0 H GLY A 29 10.560 -12.615 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.833 -12.345 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.096 -13.542 -5.977 1.00 0.00 H new ATOM 438 N THR A 30 8.203 -15.068 -4.455 1.00 0.00 N ATOM 439 CA THR A 30 7.131 -15.967 -4.160 1.00 0.00 C ATOM 440 C THR A 30 5.759 -15.386 -4.149 1.00 0.00 C ATOM 441 O THR A 30 4.860 -15.902 -4.810 1.00 0.00 O ATOM 442 CB THR A 30 7.402 -16.896 -3.013 1.00 0.00 C ATOM 443 OG1 THR A 30 8.630 -17.601 -3.124 1.00 0.00 O ATOM 444 CG2 THR A 30 6.255 -17.896 -2.788 1.00 0.00 C ATOM 0 H THR A 30 8.992 -15.140 -3.812 1.00 0.00 H new ATOM 0 HA THR A 30 7.116 -16.596 -5.050 1.00 0.00 H new ATOM 0 HB THR A 30 7.479 -16.239 -2.146 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.376 -16.966 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.499 -18.546 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.335 -17.352 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.117 -18.499 -3.685 1.00 0.00 H new ATOM 452 N VAL A 31 5.571 -14.323 -3.345 1.00 0.00 N ATOM 453 CA VAL A 31 4.289 -13.720 -3.154 1.00 0.00 C ATOM 454 C VAL A 31 3.739 -13.126 -4.405 1.00 0.00 C ATOM 455 O VAL A 31 2.595 -13.367 -4.789 1.00 0.00 O ATOM 456 CB VAL A 31 4.370 -12.658 -2.098 1.00 0.00 C ATOM 457 CG1 VAL A 31 3.036 -12.014 -1.684 1.00 0.00 C ATOM 458 CG2 VAL A 31 4.961 -13.228 -0.797 1.00 0.00 C ATOM 0 H VAL A 31 6.322 -13.875 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 31 3.613 -14.516 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 31 4.990 -11.897 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.218 -11.262 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.575 -11.542 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.369 -12.781 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.011 -12.441 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.328 -14.038 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.964 -13.610 -0.990 1.00 0.00 H new ATOM 468 N MET A 32 4.572 -12.396 -5.168 1.00 0.00 N ATOM 469 CA MET A 32 4.402 -11.732 -6.423 1.00 0.00 C ATOM 470 C MET A 32 3.910 -12.723 -7.420 1.00 0.00 C ATOM 471 O MET A 32 2.844 -12.606 -8.022 1.00 0.00 O ATOM 472 CB MET A 32 5.685 -11.026 -6.895 1.00 0.00 C ATOM 473 CG MET A 32 6.039 -9.736 -6.152 1.00 0.00 C ATOM 474 SD MET A 32 7.340 -8.825 -7.037 1.00 0.00 S ATOM 475 CE MET A 32 7.531 -7.684 -5.636 1.00 0.00 C ATOM 0 H MET A 32 5.527 -12.252 -4.840 1.00 0.00 H new ATOM 0 HA MET A 32 3.665 -10.938 -6.306 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.519 -11.721 -6.797 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.584 -10.797 -7.956 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.152 -9.111 -6.055 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.375 -9.972 -5.142 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.588 -7.467 -5.485 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.996 -6.758 -5.846 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.123 -8.142 -4.735 1.00 0.00 H new ATOM 485 N ARG A 33 4.670 -13.829 -7.514 1.00 0.00 N ATOM 486 CA ARG A 33 4.478 -14.891 -8.452 1.00 0.00 C ATOM 487 C ARG A 33 3.267 -15.736 -8.254 1.00 0.00 C ATOM 488 O ARG A 33 2.692 -16.237 -9.219 1.00 0.00 O ATOM 489 CB ARG A 33 5.737 -15.739 -8.699 1.00 0.00 C ATOM 490 CG ARG A 33 5.821 -16.592 -9.966 1.00 0.00 C ATOM 491 CD ARG A 33 7.059 -17.488 -10.036 1.00 0.00 C ATOM 492 NE ARG A 33 7.223 -18.285 -11.285 1.00 0.00 N ATOM 493 CZ ARG A 33 7.939 -19.445 -11.228 1.00 0.00 C ATOM 494 NH1 ARG A 33 8.841 -19.612 -10.217 1.00 0.00 N ATOM 495 NH2 ARG A 33 7.908 -20.401 -12.202 1.00 0.00 N ATOM 0 H ARG A 33 5.466 -13.991 -6.897 1.00 0.00 H new ATOM 0 HA ARG A 33 4.273 -14.341 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.593 -15.064 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.857 -16.406 -7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.930 -17.216 -10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.812 -15.934 -10.835 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.943 -16.862 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.032 -18.176 -9.191 1.00 0.00 H new ATOM 0 HE ARG A 33 6.809 -17.970 -12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.970 -18.877 -9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.386 -20.472 -10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.326 -20.268 -13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.466 -21.249 -12.103 1.00 0.00 H new ATOM 509 N SER A 34 2.936 -15.961 -6.970 1.00 0.00 N ATOM 510 CA SER A 34 1.809 -16.774 -6.631 1.00 0.00 C ATOM 511 C SER A 34 0.549 -16.033 -6.921 1.00 0.00 C ATOM 512 O SER A 34 -0.394 -16.700 -7.344 1.00 0.00 O ATOM 513 CB SER A 34 1.721 -17.168 -5.147 1.00 0.00 C ATOM 514 OG SER A 34 2.871 -17.984 -4.978 1.00 0.00 O ATOM 0 H SER A 34 3.445 -15.583 -6.171 1.00 0.00 H new ATOM 0 HA SER A 34 1.937 -17.678 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.742 -16.296 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.802 -17.710 -4.925 1.00 0.00 H new ATOM 0 HG SER A 34 3.668 -17.417 -4.919 1.00 0.00 H new ATOM 520 N LEU A 35 0.582 -14.690 -6.860 1.00 0.00 N ATOM 521 CA LEU A 35 -0.528 -13.949 -7.374 1.00 0.00 C ATOM 522 C LEU A 35 -0.545 -14.062 -8.859 1.00 0.00 C ATOM 523 O LEU A 35 -1.479 -14.606 -9.447 1.00 0.00 O ATOM 524 CB LEU A 35 -0.394 -12.507 -6.856 1.00 0.00 C ATOM 525 CG LEU A 35 -0.347 -12.350 -5.327 1.00 0.00 C ATOM 526 CD1 LEU A 35 0.408 -11.089 -4.875 1.00 0.00 C ATOM 527 CD2 LEU A 35 -1.782 -12.262 -4.781 1.00 0.00 C ATOM 0 H LEU A 35 1.344 -14.135 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.489 -14.336 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.513 -12.072 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.232 -11.924 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 35 0.183 -13.220 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.406 -11.035 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.436 -11.132 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.083 -10.205 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.753 -12.151 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.286 -11.402 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.325 -13.171 -5.038 1.00 0.00 H new ATOM 539 N GLY A 36 0.483 -13.463 -9.485 1.00 0.00 N ATOM 540 CA GLY A 36 0.632 -13.785 -10.871 1.00 0.00 C ATOM 541 C GLY A 36 1.495 -12.858 -11.656 1.00 0.00 C ATOM 542 O GLY A 36 1.157 -12.414 -12.752 1.00 0.00 O ATOM 0 H GLY A 36 1.157 -12.813 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.044 -14.791 -10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.357 -13.808 -11.329 1.00 0.00 H new ATOM 546 N GLN A 37 2.726 -12.560 -11.203 1.00 0.00 N ATOM 547 CA GLN A 37 3.631 -11.740 -11.947 1.00 0.00 C ATOM 548 C GLN A 37 5.053 -12.056 -11.630 1.00 0.00 C ATOM 549 O GLN A 37 5.476 -12.168 -10.480 1.00 0.00 O ATOM 550 CB GLN A 37 3.273 -10.245 -11.931 1.00 0.00 C ATOM 551 CG GLN A 37 3.443 -9.556 -10.575 1.00 0.00 C ATOM 552 CD GLN A 37 3.076 -8.094 -10.787 1.00 0.00 C ATOM 553 OE1 GLN A 37 3.906 -7.319 -11.259 1.00 0.00 O ATOM 554 NE2 GLN A 37 1.851 -7.699 -10.349 1.00 0.00 N ATOM 0 H GLN A 37 3.097 -12.891 -10.312 1.00 0.00 H new ATOM 0 HA GLN A 37 3.506 -12.004 -12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.894 -9.730 -12.664 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.238 -10.131 -12.253 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.799 -10.013 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.468 -9.651 -10.217 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.201 -8.385 -9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.582 -6.717 -10.403 1.00 0.00 H new ATOM 563 N ASN A 38 5.944 -12.040 -12.637 1.00 0.00 N ATOM 564 CA ASN A 38 7.283 -12.522 -12.501 1.00 0.00 C ATOM 565 C ASN A 38 8.266 -11.703 -13.264 1.00 0.00 C ATOM 566 O ASN A 38 8.422 -11.951 -14.459 1.00 0.00 O ATOM 567 CB ASN A 38 7.309 -14.040 -12.745 1.00 0.00 C ATOM 568 CG ASN A 38 8.653 -14.659 -12.387 1.00 0.00 C ATOM 569 OD1 ASN A 38 9.125 -14.615 -11.252 1.00 0.00 O ATOM 570 ND2 ASN A 38 9.406 -15.291 -13.326 1.00 0.00 N ATOM 0 H ASN A 38 5.729 -11.683 -13.568 1.00 0.00 H new ATOM 0 HA ASN A 38 7.631 -12.388 -11.477 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.524 -14.514 -12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.086 -14.241 -13.793 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.307 -15.695 -13.070 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.070 -15.361 -14.286 1.00 0.00 H new ATOM 577 N PRO A 39 8.964 -10.755 -12.713 1.00 0.00 N ATOM 578 CA PRO A 39 10.192 -10.255 -13.261 1.00 0.00 C ATOM 579 C PRO A 39 11.308 -11.195 -12.962 1.00 0.00 C ATOM 580 O PRO A 39 11.186 -12.198 -12.260 1.00 0.00 O ATOM 581 CB PRO A 39 10.388 -8.936 -12.518 1.00 0.00 C ATOM 582 CG PRO A 39 9.759 -9.214 -11.144 1.00 0.00 C ATOM 583 CD PRO A 39 8.538 -10.078 -11.498 1.00 0.00 C ATOM 0 HA PRO A 39 10.170 -10.138 -14.344 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.443 -8.674 -12.433 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.894 -8.109 -13.028 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.448 -9.739 -10.482 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.470 -8.293 -10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.299 -10.785 -10.704 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.648 -9.472 -11.664 1.00 0.00 H new ATOM 591 N THR A 40 12.508 -10.800 -13.423 1.00 0.00 N ATOM 592 CA THR A 40 13.727 -11.436 -13.033 1.00 0.00 C ATOM 593 C THR A 40 14.273 -10.928 -11.744 1.00 0.00 C ATOM 594 O THR A 40 13.791 -9.980 -11.126 1.00 0.00 O ATOM 595 CB THR A 40 14.778 -11.416 -14.104 1.00 0.00 C ATOM 596 OG1 THR A 40 15.096 -10.071 -14.432 1.00 0.00 O ATOM 597 CG2 THR A 40 14.201 -12.037 -15.387 1.00 0.00 C ATOM 0 H THR A 40 12.634 -10.027 -14.077 1.00 0.00 H new ATOM 0 HA THR A 40 13.448 -12.478 -12.875 1.00 0.00 H new ATOM 0 HB THR A 40 15.651 -11.959 -13.743 1.00 0.00 H new ATOM 0 HG1 THR A 40 14.348 -9.668 -14.920 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.960 -12.026 -16.170 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.899 -13.065 -15.189 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.335 -11.461 -15.713 1.00 0.00 H new ATOM 605 N GLU A 41 15.334 -11.619 -11.288 1.00 0.00 N ATOM 606 CA GLU A 41 15.961 -11.314 -10.040 1.00 0.00 C ATOM 607 C GLU A 41 16.764 -10.065 -10.149 1.00 0.00 C ATOM 608 O GLU A 41 16.711 -9.231 -9.246 1.00 0.00 O ATOM 609 CB GLU A 41 16.857 -12.456 -9.532 1.00 0.00 C ATOM 610 CG GLU A 41 16.136 -13.753 -9.160 1.00 0.00 C ATOM 611 CD GLU A 41 17.132 -14.902 -9.233 1.00 0.00 C ATOM 612 OE1 GLU A 41 17.414 -15.379 -10.364 1.00 0.00 O ATOM 613 OE2 GLU A 41 17.620 -15.282 -8.135 1.00 0.00 O ATOM 0 H GLU A 41 15.761 -12.397 -11.791 1.00 0.00 H new ATOM 0 HA GLU A 41 15.158 -11.176 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.597 -12.681 -10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.403 -12.102 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.718 -13.678 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.303 -13.931 -9.840 1.00 0.00 H new ATOM 620 N ALA A 42 17.511 -9.822 -11.241 1.00 0.00 N ATOM 621 CA ALA A 42 18.237 -8.605 -11.431 1.00 0.00 C ATOM 622 C ALA A 42 17.305 -7.444 -11.495 1.00 0.00 C ATOM 623 O ALA A 42 17.629 -6.320 -11.116 1.00 0.00 O ATOM 624 CB ALA A 42 19.144 -8.632 -12.673 1.00 0.00 C ATOM 0 H ALA A 42 17.613 -10.486 -12.009 1.00 0.00 H new ATOM 0 HA ALA A 42 18.892 -8.497 -10.566 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.668 -7.680 -12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 19.871 -9.438 -12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.537 -8.797 -13.563 1.00 0.00 H new ATOM 630 N GLU A 43 16.140 -7.662 -12.132 1.00 0.00 N ATOM 631 CA GLU A 43 15.198 -6.590 -12.217 1.00 0.00 C ATOM 632 C GLU A 43 14.639 -6.238 -10.882 1.00 0.00 C ATOM 633 O GLU A 43 14.499 -5.081 -10.489 1.00 0.00 O ATOM 634 CB GLU A 43 14.024 -6.914 -13.155 1.00 0.00 C ATOM 635 CG GLU A 43 14.407 -7.015 -14.633 1.00 0.00 C ATOM 636 CD GLU A 43 13.164 -7.399 -15.424 1.00 0.00 C ATOM 637 OE1 GLU A 43 12.964 -8.643 -15.460 1.00 0.00 O ATOM 638 OE2 GLU A 43 12.447 -6.560 -16.031 1.00 0.00 O ATOM 0 H GLU A 43 15.858 -8.539 -12.570 1.00 0.00 H new ATOM 0 HA GLU A 43 15.758 -5.746 -12.620 1.00 0.00 H new ATOM 0 HB2 GLU A 43 13.575 -7.857 -12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.261 -6.144 -13.042 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.804 -6.064 -14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.191 -7.760 -14.772 1.00 0.00 H new ATOM 645 N LEU A 44 14.301 -7.264 -10.081 1.00 0.00 N ATOM 646 CA LEU A 44 13.746 -7.114 -8.771 1.00 0.00 C ATOM 647 C LEU A 44 14.676 -6.609 -7.722 1.00 0.00 C ATOM 648 O LEU A 44 14.377 -5.746 -6.898 1.00 0.00 O ATOM 649 CB LEU A 44 13.338 -8.504 -8.253 1.00 0.00 C ATOM 650 CG LEU A 44 12.539 -8.677 -6.950 1.00 0.00 C ATOM 651 CD1 LEU A 44 11.283 -7.789 -6.938 1.00 0.00 C ATOM 652 CD2 LEU A 44 12.216 -10.162 -6.717 1.00 0.00 C ATOM 0 H LEU A 44 14.419 -8.239 -10.357 1.00 0.00 H new ATOM 0 HA LEU A 44 12.941 -6.392 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.758 -8.979 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.256 -9.081 -8.140 1.00 0.00 H new ATOM 0 HG LEU A 44 13.155 -8.342 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.742 -7.936 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.576 -6.743 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.639 -8.058 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.650 -10.270 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.624 -10.541 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.144 -10.729 -6.644 1.00 0.00 H new ATOM 664 N GLN A 45 15.956 -7.004 -7.837 1.00 0.00 N ATOM 665 CA GLN A 45 17.010 -6.366 -7.111 1.00 0.00 C ATOM 666 C GLN A 45 17.117 -4.882 -7.205 1.00 0.00 C ATOM 667 O GLN A 45 17.310 -4.181 -6.214 1.00 0.00 O ATOM 668 CB GLN A 45 18.424 -6.846 -7.479 1.00 0.00 C ATOM 669 CG GLN A 45 18.749 -8.234 -6.924 1.00 0.00 C ATOM 670 CD GLN A 45 20.111 -8.798 -7.304 1.00 0.00 C ATOM 671 OE1 GLN A 45 20.625 -8.468 -8.371 1.00 0.00 O ATOM 672 NE2 GLN A 45 20.647 -9.680 -6.418 1.00 0.00 N ATOM 0 H GLN A 45 16.263 -7.770 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 45 16.696 -6.659 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 45 18.525 -6.862 -8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 45 19.154 -6.130 -7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 45 18.684 -8.194 -5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 45 17.981 -8.929 -7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 45 20.152 -9.898 -5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 45 21.544 -10.123 -6.619 1.00 0.00 H new ATOM 681 N ASP A 46 17.031 -4.270 -8.399 1.00 0.00 N ATOM 682 CA ASP A 46 17.053 -2.884 -8.754 1.00 0.00 C ATOM 683 C ASP A 46 15.933 -2.143 -8.110 1.00 0.00 C ATOM 684 O ASP A 46 16.059 -1.007 -7.654 1.00 0.00 O ATOM 685 CB ASP A 46 17.075 -2.789 -10.289 1.00 0.00 C ATOM 686 CG ASP A 46 17.443 -1.359 -10.657 1.00 0.00 C ATOM 687 OD1 ASP A 46 16.610 -0.414 -10.611 1.00 0.00 O ATOM 688 OD2 ASP A 46 18.608 -1.217 -11.116 1.00 0.00 O ATOM 0 H ASP A 46 16.931 -4.840 -9.239 1.00 0.00 H new ATOM 0 HA ASP A 46 17.951 -2.396 -8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 46 17.799 -3.490 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 46 16.102 -3.052 -10.703 1.00 0.00 H new ATOM 693 N MET A 47 14.791 -2.814 -7.876 1.00 0.00 N ATOM 694 CA MET A 47 13.726 -2.214 -7.134 1.00 0.00 C ATOM 695 C MET A 47 14.095 -2.067 -5.698 1.00 0.00 C ATOM 696 O MET A 47 13.847 -1.054 -5.045 1.00 0.00 O ATOM 697 CB MET A 47 12.366 -2.921 -7.263 1.00 0.00 C ATOM 698 CG MET A 47 11.972 -3.500 -8.624 1.00 0.00 C ATOM 699 SD MET A 47 10.449 -4.480 -8.469 1.00 0.00 S ATOM 700 CE MET A 47 10.488 -4.961 -10.220 1.00 0.00 C ATOM 0 H MET A 47 14.606 -3.764 -8.197 1.00 0.00 H new ATOM 0 HA MET A 47 13.590 -1.232 -7.588 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.345 -3.734 -6.538 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.593 -2.211 -6.968 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.823 -2.693 -9.342 1.00 0.00 H new ATOM 0 HG3 MET A 47 12.778 -4.125 -9.009 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.478 -5.199 -10.555 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.883 -4.137 -10.815 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.127 -5.836 -10.343 1.00 0.00 H new ATOM 710 N ILE A 48 14.782 -3.049 -5.088 1.00 0.00 N ATOM 711 CA ILE A 48 15.233 -3.188 -3.738 1.00 0.00 C ATOM 712 C ILE A 48 16.426 -2.349 -3.431 1.00 0.00 C ATOM 713 O ILE A 48 16.539 -1.749 -2.364 1.00 0.00 O ATOM 714 CB ILE A 48 15.510 -4.633 -3.450 1.00 0.00 C ATOM 715 CG1 ILE A 48 14.198 -5.434 -3.491 1.00 0.00 C ATOM 716 CG2 ILE A 48 16.248 -4.845 -2.118 1.00 0.00 C ATOM 717 CD1 ILE A 48 14.403 -6.947 -3.553 1.00 0.00 C ATOM 0 H ILE A 48 15.060 -3.867 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 48 14.436 -2.827 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 48 16.180 -4.999 -4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.607 -5.192 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.618 -5.119 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 48 16.421 -5.910 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 48 17.204 -4.322 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 48 15.643 -4.453 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 48 13.434 -7.445 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.966 -7.201 -4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 48 14.956 -7.276 -2.673 1.00 0.00 H new ATOM 729 N ASN A 49 17.371 -2.131 -4.363 1.00 0.00 N ATOM 730 CA ASN A 49 18.591 -1.435 -4.097 1.00 0.00 C ATOM 731 C ASN A 49 18.396 0.017 -3.823 1.00 0.00 C ATOM 732 O ASN A 49 19.308 0.579 -3.218 1.00 0.00 O ATOM 733 CB ASN A 49 19.461 -1.416 -5.365 1.00 0.00 C ATOM 734 CG ASN A 49 20.121 -2.769 -5.588 1.00 0.00 C ATOM 735 OD1 ASN A 49 20.458 -3.572 -4.720 1.00 0.00 O ATOM 736 ND2 ASN A 49 20.314 -3.032 -6.908 1.00 0.00 N ATOM 0 H ASN A 49 17.284 -2.448 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 49 19.024 -1.952 -3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.848 -1.159 -6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 49 20.225 -0.644 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 49 20.746 -3.910 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 49 20.027 -2.351 -7.611 1.00 0.00 H new ATOM 743 N GLU A 50 17.300 0.679 -4.233 1.00 0.00 N ATOM 744 CA GLU A 50 16.919 2.035 -3.985 1.00 0.00 C ATOM 745 C GLU A 50 16.738 2.249 -2.521 1.00 0.00 C ATOM 746 O GLU A 50 17.248 3.241 -2.004 1.00 0.00 O ATOM 747 CB GLU A 50 15.550 2.330 -4.620 1.00 0.00 C ATOM 748 CG GLU A 50 15.041 3.764 -4.461 1.00 0.00 C ATOM 749 CD GLU A 50 13.733 3.909 -5.226 1.00 0.00 C ATOM 750 OE1 GLU A 50 13.541 3.501 -6.403 1.00 0.00 O ATOM 751 OE2 GLU A 50 12.780 4.464 -4.617 1.00 0.00 O ATOM 0 H GLU A 50 16.601 0.205 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 50 17.698 2.675 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.606 2.100 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.815 1.653 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.889 3.996 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 50 15.780 4.471 -4.839 1.00 0.00 H new ATOM 758 N VAL A 51 16.142 1.337 -1.733 1.00 0.00 N ATOM 759 CA VAL A 51 16.147 1.410 -0.304 1.00 0.00 C ATOM 760 C VAL A 51 17.338 0.966 0.474 1.00 0.00 C ATOM 761 O VAL A 51 17.657 1.543 1.512 1.00 0.00 O ATOM 762 CB VAL A 51 14.985 0.650 0.261 1.00 0.00 C ATOM 763 CG1 VAL A 51 13.721 1.438 -0.123 1.00 0.00 C ATOM 764 CG2 VAL A 51 14.889 -0.853 -0.053 1.00 0.00 C ATOM 0 H VAL A 51 15.643 0.526 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 51 16.121 2.492 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 51 15.127 0.595 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.841 0.926 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.774 2.441 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 51 13.651 1.507 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 51 14.000 -1.268 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.825 -0.996 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 51 15.774 -1.362 0.329 1.00 0.00 H new ATOM 774 N ASP A 52 18.221 0.120 -0.087 1.00 0.00 N ATOM 775 CA ASP A 52 19.198 -0.674 0.590 1.00 0.00 C ATOM 776 C ASP A 52 20.331 0.116 1.150 1.00 0.00 C ATOM 777 O ASP A 52 21.011 0.869 0.455 1.00 0.00 O ATOM 778 CB ASP A 52 19.674 -1.747 -0.404 1.00 0.00 C ATOM 779 CG ASP A 52 20.487 -2.890 0.187 1.00 0.00 C ATOM 780 OD1 ASP A 52 20.204 -3.442 1.283 1.00 0.00 O ATOM 781 OD2 ASP A 52 21.535 -3.209 -0.437 1.00 0.00 O ATOM 0 H ASP A 52 18.252 -0.018 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 52 18.742 -1.132 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.799 -2.168 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 52 20.274 -1.261 -1.173 1.00 0.00 H new ATOM 786 N ALA A 53 20.527 0.044 2.479 1.00 0.00 N ATOM 787 CA ALA A 53 21.636 0.639 3.158 1.00 0.00 C ATOM 788 C ALA A 53 22.884 -0.175 3.153 1.00 0.00 C ATOM 789 O ALA A 53 23.975 0.391 3.134 1.00 0.00 O ATOM 790 CB ALA A 53 21.120 0.559 4.604 1.00 0.00 C ATOM 0 H ALA A 53 19.888 -0.448 3.104 1.00 0.00 H new ATOM 0 HA ALA A 53 21.896 1.602 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.863 0.982 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.190 1.121 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.941 -0.483 4.869 1.00 0.00 H new ATOM 796 N ASP A 54 22.817 -1.516 3.075 1.00 0.00 N ATOM 797 CA ASP A 54 23.845 -2.501 3.206 1.00 0.00 C ATOM 798 C ASP A 54 24.776 -2.624 2.049 1.00 0.00 C ATOM 799 O ASP A 54 25.990 -2.499 2.204 1.00 0.00 O ATOM 800 CB ASP A 54 23.243 -3.898 3.437 1.00 0.00 C ATOM 801 CG ASP A 54 22.259 -3.866 4.597 1.00 0.00 C ATOM 802 OD1 ASP A 54 21.153 -3.302 4.382 1.00 0.00 O ATOM 803 OD2 ASP A 54 22.630 -4.340 5.703 1.00 0.00 O ATOM 0 H ASP A 54 21.918 -1.964 2.896 1.00 0.00 H new ATOM 0 HA ASP A 54 24.422 -2.143 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 54 22.738 -4.237 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 54 24.038 -4.614 3.646 1.00 0.00 H new ATOM 808 N GLY A 55 24.251 -2.804 0.824 1.00 0.00 N ATOM 809 CA GLY A 55 25.129 -2.991 -0.289 1.00 0.00 C ATOM 810 C GLY A 55 24.842 -4.354 -0.817 1.00 0.00 C ATOM 811 O GLY A 55 25.567 -4.919 -1.634 1.00 0.00 O ATOM 0 H GLY A 55 23.254 -2.820 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 55 24.957 -2.233 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 55 26.171 -2.903 0.018 1.00 0.00 H new ATOM 815 N ASN A 56 23.737 -4.972 -0.362 1.00 0.00 N ATOM 816 CA ASN A 56 23.505 -6.382 -0.421 1.00 0.00 C ATOM 817 C ASN A 56 22.477 -6.645 -1.468 1.00 0.00 C ATOM 818 O ASN A 56 22.624 -7.533 -2.306 1.00 0.00 O ATOM 819 CB ASN A 56 22.933 -6.881 0.916 1.00 0.00 C ATOM 820 CG ASN A 56 22.712 -8.349 1.251 1.00 0.00 C ATOM 821 OD1 ASN A 56 21.992 -8.563 2.225 1.00 0.00 O ATOM 822 ND2 ASN A 56 23.333 -9.345 0.563 1.00 0.00 N ATOM 0 H ASN A 56 22.966 -4.462 0.069 1.00 0.00 H new ATOM 0 HA ASN A 56 24.445 -6.889 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 56 23.587 -6.486 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 56 21.966 -6.392 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 56 23.210 -10.316 0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 56 23.921 -9.121 -0.239 1.00 0.00 H new ATOM 829 N GLY A 57 21.343 -5.922 -1.483 1.00 0.00 N ATOM 830 CA GLY A 57 20.254 -6.142 -2.383 1.00 0.00 C ATOM 831 C GLY A 57 19.046 -6.820 -1.833 1.00 0.00 C ATOM 832 O GLY A 57 18.224 -7.460 -2.487 1.00 0.00 O ATOM 0 H GLY A 57 21.178 -5.149 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 57 19.947 -5.176 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.622 -6.734 -3.221 1.00 0.00 H new ATOM 836 N THR A 58 18.796 -6.639 -0.525 1.00 0.00 N ATOM 837 CA THR A 58 17.643 -7.109 0.178 1.00 0.00 C ATOM 838 C THR A 58 17.058 -6.042 1.039 1.00 0.00 C ATOM 839 O THR A 58 17.652 -5.097 1.555 1.00 0.00 O ATOM 840 CB THR A 58 17.965 -8.369 0.926 1.00 0.00 C ATOM 841 OG1 THR A 58 19.057 -8.163 1.810 1.00 0.00 O ATOM 842 CG2 THR A 58 18.305 -9.447 -0.117 1.00 0.00 C ATOM 0 H THR A 58 19.441 -6.131 0.081 1.00 0.00 H new ATOM 0 HA THR A 58 16.867 -7.362 -0.544 1.00 0.00 H new ATOM 0 HB THR A 58 17.115 -8.680 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 58 19.872 -8.541 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.546 -10.381 0.390 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.449 -9.601 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 58 19.162 -9.124 -0.708 1.00 0.00 H new ATOM 850 N ILE A 59 15.749 -6.162 1.323 1.00 0.00 N ATOM 851 CA ILE A 59 15.117 -5.129 2.084 1.00 0.00 C ATOM 852 C ILE A 59 14.912 -5.565 3.494 1.00 0.00 C ATOM 853 O ILE A 59 14.222 -6.567 3.674 1.00 0.00 O ATOM 854 CB ILE A 59 13.815 -4.703 1.475 1.00 0.00 C ATOM 855 CG1 ILE A 59 12.878 -3.956 2.440 1.00 0.00 C ATOM 856 CG2 ILE A 59 13.179 -5.867 0.697 1.00 0.00 C ATOM 857 CD1 ILE A 59 11.805 -3.103 1.766 1.00 0.00 C ATOM 0 H ILE A 59 15.150 -6.938 1.041 1.00 0.00 H new ATOM 0 HA ILE A 59 15.783 -4.266 2.075 1.00 0.00 H new ATOM 0 HB ILE A 59 14.030 -3.928 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.389 -4.686 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.480 -3.314 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.235 -5.541 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.854 -6.186 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.997 -6.701 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.195 -2.617 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.281 -2.345 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.172 -3.738 1.145 1.00 0.00 H new ATOM 869 N ASP A 60 15.454 -4.831 4.482 1.00 0.00 N ATOM 870 CA ASP A 60 15.168 -5.021 5.870 1.00 0.00 C ATOM 871 C ASP A 60 14.018 -4.199 6.342 1.00 0.00 C ATOM 872 O ASP A 60 13.418 -3.416 5.608 1.00 0.00 O ATOM 873 CB ASP A 60 16.435 -4.785 6.709 1.00 0.00 C ATOM 874 CG ASP A 60 17.560 -5.659 6.173 1.00 0.00 C ATOM 875 OD1 ASP A 60 17.653 -6.831 6.625 1.00 0.00 O ATOM 876 OD2 ASP A 60 18.369 -5.244 5.301 1.00 0.00 O ATOM 0 H ASP A 60 16.117 -4.076 4.307 1.00 0.00 H new ATOM 0 HA ASP A 60 14.856 -6.057 6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.723 -3.735 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.242 -5.021 7.755 1.00 0.00 H new ATOM 881 N PHE A 61 13.710 -4.315 7.646 1.00 0.00 N ATOM 882 CA PHE A 61 12.689 -3.541 8.283 1.00 0.00 C ATOM 883 C PHE A 61 12.946 -2.077 8.393 1.00 0.00 C ATOM 884 O PHE A 61 12.013 -1.320 8.131 1.00 0.00 O ATOM 885 CB PHE A 61 12.305 -4.282 9.575 1.00 0.00 C ATOM 886 CG PHE A 61 11.029 -3.816 10.186 1.00 0.00 C ATOM 887 CD1 PHE A 61 9.877 -3.828 9.435 1.00 0.00 C ATOM 888 CD2 PHE A 61 10.972 -3.349 11.478 1.00 0.00 C ATOM 889 CE1 PHE A 61 8.759 -3.134 9.834 1.00 0.00 C ATOM 890 CE2 PHE A 61 9.862 -2.659 11.907 1.00 0.00 C ATOM 891 CZ PHE A 61 8.774 -2.541 11.075 1.00 0.00 C ATOM 0 H PHE A 61 14.183 -4.964 8.275 1.00 0.00 H new ATOM 0 HA PHE A 61 11.812 -3.485 7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 61 12.225 -5.348 9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 61 13.108 -4.163 10.302 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.850 -4.393 8.515 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.796 -3.523 12.154 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.894 -3.057 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.845 -2.213 12.891 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.916 -1.973 11.402 1.00 0.00 H new ATOM 901 N PRO A 62 14.038 -1.426 8.666 1.00 0.00 N ATOM 902 CA PRO A 62 14.165 0.002 8.700 1.00 0.00 C ATOM 903 C PRO A 62 14.139 0.476 7.288 1.00 0.00 C ATOM 904 O PRO A 62 13.982 1.677 7.074 1.00 0.00 O ATOM 905 CB PRO A 62 15.479 0.225 9.446 1.00 0.00 C ATOM 906 CG PRO A 62 15.462 -0.971 10.411 1.00 0.00 C ATOM 907 CD PRO A 62 15.071 -2.096 9.440 1.00 0.00 C ATOM 0 HA PRO A 62 13.376 0.558 9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.342 0.208 8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.501 1.180 9.971 1.00 0.00 H new ATOM 0 HG2 PRO A 62 16.432 -1.143 10.878 1.00 0.00 H new ATOM 0 HG3 PRO A 62 14.738 -0.846 11.216 1.00 0.00 H new ATOM 0 HD2 PRO A 62 15.908 -2.421 8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.695 -2.979 9.957 1.00 0.00 H new ATOM 915 N GLU A 63 14.320 -0.381 6.267 1.00 0.00 N ATOM 916 CA GLU A 63 14.264 -0.051 4.877 1.00 0.00 C ATOM 917 C GLU A 63 12.909 -0.086 4.257 1.00 0.00 C ATOM 918 O GLU A 63 12.528 0.842 3.546 1.00 0.00 O ATOM 919 CB GLU A 63 15.225 -0.991 4.129 1.00 0.00 C ATOM 920 CG GLU A 63 16.667 -0.845 4.620 1.00 0.00 C ATOM 921 CD GLU A 63 17.552 -1.840 3.883 1.00 0.00 C ATOM 922 OE1 GLU A 63 16.957 -2.761 3.262 1.00 0.00 O ATOM 923 OE2 GLU A 63 18.810 -1.775 3.904 1.00 0.00 O ATOM 0 H GLU A 63 14.518 -1.369 6.424 1.00 0.00 H new ATOM 0 HA GLU A 63 14.560 0.995 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.899 -2.023 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.182 -0.778 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.021 0.171 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.717 -1.022 5.694 1.00 0.00 H new ATOM 930 N PHE A 64 12.043 -1.046 4.629 1.00 0.00 N ATOM 931 CA PHE A 64 10.618 -1.074 4.515 1.00 0.00 C ATOM 932 C PHE A 64 10.007 0.102 5.195 1.00 0.00 C ATOM 933 O PHE A 64 9.160 0.810 4.653 1.00 0.00 O ATOM 934 CB PHE A 64 10.152 -2.355 5.229 1.00 0.00 C ATOM 935 CG PHE A 64 8.736 -2.717 4.940 1.00 0.00 C ATOM 936 CD1 PHE A 64 8.340 -3.411 3.821 1.00 0.00 C ATOM 937 CD2 PHE A 64 7.774 -2.313 5.835 1.00 0.00 C ATOM 938 CE1 PHE A 64 7.038 -3.793 3.598 1.00 0.00 C ATOM 939 CE2 PHE A 64 6.453 -2.616 5.603 1.00 0.00 C ATOM 940 CZ PHE A 64 6.099 -3.367 4.507 1.00 0.00 C ATOM 0 H PHE A 64 12.388 -1.903 5.061 1.00 0.00 H new ATOM 0 HA PHE A 64 10.321 -1.050 3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.797 -3.182 4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.273 -2.226 6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.086 -3.668 3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.055 -1.759 6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.766 -4.400 2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.692 -2.263 6.283 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.062 -3.628 4.357 1.00 0.00 H new ATOM 950 N LEU A 65 10.441 0.378 6.438 1.00 0.00 N ATOM 951 CA LEU A 65 10.002 1.521 7.176 1.00 0.00 C ATOM 952 C LEU A 65 10.288 2.851 6.568 1.00 0.00 C ATOM 953 O LEU A 65 9.430 3.731 6.633 1.00 0.00 O ATOM 954 CB LEU A 65 10.465 1.380 8.635 1.00 0.00 C ATOM 955 CG LEU A 65 10.064 2.462 9.652 1.00 0.00 C ATOM 956 CD1 LEU A 65 8.537 2.418 9.836 1.00 0.00 C ATOM 957 CD2 LEU A 65 10.584 2.027 11.032 1.00 0.00 C ATOM 0 H LEU A 65 11.111 -0.205 6.940 1.00 0.00 H new ATOM 0 HA LEU A 65 8.913 1.519 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.094 0.425 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.553 1.320 8.631 1.00 0.00 H new ATOM 0 HG LEU A 65 10.439 3.428 9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.235 3.180 10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.050 2.608 8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.243 1.435 10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.314 2.777 11.776 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.139 1.070 11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.669 1.925 10.997 1.00 0.00 H new ATOM 969 N THR A 66 11.514 2.986 6.032 1.00 0.00 N ATOM 970 CA THR A 66 11.835 4.130 5.235 1.00 0.00 C ATOM 971 C THR A 66 10.959 4.329 4.047 1.00 0.00 C ATOM 972 O THR A 66 10.531 5.446 3.762 1.00 0.00 O ATOM 973 CB THR A 66 13.247 4.006 4.744 1.00 0.00 C ATOM 974 OG1 THR A 66 14.035 4.045 5.925 1.00 0.00 O ATOM 975 CG2 THR A 66 13.625 5.177 3.822 1.00 0.00 C ATOM 0 H THR A 66 12.273 2.315 6.147 1.00 0.00 H new ATOM 0 HA THR A 66 11.687 4.990 5.888 1.00 0.00 H new ATOM 0 HB THR A 66 13.394 3.097 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.230 3.131 6.218 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.654 5.056 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.959 5.190 2.959 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.530 6.115 4.368 1.00 0.00 H new ATOM 983 N MET A 67 10.599 3.279 3.287 1.00 0.00 N ATOM 984 CA MET A 67 9.885 3.523 2.072 1.00 0.00 C ATOM 985 C MET A 67 8.423 3.689 2.304 1.00 0.00 C ATOM 986 O MET A 67 7.771 4.523 1.677 1.00 0.00 O ATOM 987 CB MET A 67 9.997 2.229 1.247 1.00 0.00 C ATOM 988 CG MET A 67 9.465 2.293 -0.186 1.00 0.00 C ATOM 989 SD MET A 67 9.845 0.878 -1.262 1.00 0.00 S ATOM 990 CE MET A 67 8.617 -0.294 -0.615 1.00 0.00 C ATOM 0 H MET A 67 10.792 2.300 3.500 1.00 0.00 H new ATOM 0 HA MET A 67 10.293 4.419 1.605 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.046 1.936 1.210 1.00 0.00 H new ATOM 0 HB3 MET A 67 9.464 1.439 1.775 1.00 0.00 H new ATOM 0 HG2 MET A 67 8.382 2.406 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 67 9.860 3.194 -0.656 1.00 0.00 H new ATOM 0 HE1 MET A 67 8.786 -1.277 -1.054 1.00 0.00 H new ATOM 0 HE2 MET A 67 8.712 -0.359 0.469 1.00 0.00 H new ATOM 0 HE3 MET A 67 7.615 0.050 -0.871 1.00 0.00 H new ATOM 1000 N MET A 68 7.773 2.940 3.213 1.00 0.00 N ATOM 1001 CA MET A 68 6.361 2.943 3.438 1.00 0.00 C ATOM 1002 C MET A 68 5.879 3.985 4.387 1.00 0.00 C ATOM 1003 O MET A 68 4.746 4.462 4.347 1.00 0.00 O ATOM 1004 CB MET A 68 5.918 1.590 4.020 1.00 0.00 C ATOM 1005 CG MET A 68 6.174 0.417 3.071 1.00 0.00 C ATOM 1006 SD MET A 68 5.671 0.536 1.328 1.00 0.00 S ATOM 1007 CE MET A 68 3.910 0.674 1.750 1.00 0.00 C ATOM 0 H MET A 68 8.265 2.292 3.829 1.00 0.00 H new ATOM 0 HA MET A 68 5.932 3.151 2.458 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.446 1.414 4.957 1.00 0.00 H new ATOM 0 HB3 MET A 68 4.855 1.633 4.256 1.00 0.00 H new ATOM 0 HG2 MET A 68 7.245 0.214 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 68 5.678 -0.457 3.493 1.00 0.00 H new ATOM 0 HE1 MET A 68 3.309 0.533 0.852 1.00 0.00 H new ATOM 0 HE2 MET A 68 3.651 -0.089 2.484 1.00 0.00 H new ATOM 0 HE3 MET A 68 3.712 1.661 2.168 1.00 0.00 H new ATOM 1017 N ALA A 69 6.753 4.637 5.176 1.00 0.00 N ATOM 1018 CA ALA A 69 6.359 5.785 5.931 1.00 0.00 C ATOM 1019 C ALA A 69 6.939 7.052 5.402 1.00 0.00 C ATOM 1020 O ALA A 69 6.821 8.085 6.059 1.00 0.00 O ATOM 1021 CB ALA A 69 6.687 5.400 7.383 1.00 0.00 C ATOM 0 H ALA A 69 7.731 4.369 5.290 1.00 0.00 H new ATOM 0 HA ALA A 69 5.300 6.030 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.419 6.222 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.121 4.511 7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.754 5.194 7.473 1.00 0.00 H new ATOM 1027 N ARG A 70 7.395 7.045 4.137 1.00 0.00 N ATOM 1028 CA ARG A 70 7.782 8.214 3.410 1.00 0.00 C ATOM 1029 C ARG A 70 6.544 8.764 2.791 1.00 0.00 C ATOM 1030 O ARG A 70 5.656 8.091 2.270 1.00 0.00 O ATOM 1031 CB ARG A 70 8.678 7.850 2.214 1.00 0.00 C ATOM 1032 CG ARG A 70 9.345 8.950 1.386 1.00 0.00 C ATOM 1033 CD ARG A 70 10.354 8.428 0.361 1.00 0.00 C ATOM 1034 NE ARG A 70 10.416 9.491 -0.682 1.00 0.00 N ATOM 1035 CZ ARG A 70 10.625 9.346 -2.023 1.00 0.00 C ATOM 1036 NH1 ARG A 70 11.111 8.135 -2.423 1.00 0.00 N ATOM 1037 NH2 ARG A 70 10.637 10.363 -2.933 1.00 0.00 N ATOM 0 H ARG A 70 7.499 6.186 3.597 1.00 0.00 H new ATOM 0 HA ARG A 70 8.297 8.893 4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.471 7.203 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.076 7.252 1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.574 9.518 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.851 9.642 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.331 8.262 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.033 7.476 -0.062 1.00 0.00 H new ATOM 0 HE ARG A 70 10.286 10.447 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.295 7.406 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.290 7.959 -3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.481 11.323 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.802 10.163 -3.919 1.00 0.00 H new ATOM 1051 N LYS A 71 6.415 10.102 2.849 1.00 0.00 N ATOM 1052 CA LYS A 71 5.326 10.790 2.229 1.00 0.00 C ATOM 1053 C LYS A 71 5.663 11.109 0.813 1.00 0.00 C ATOM 1054 O LYS A 71 6.526 11.918 0.474 1.00 0.00 O ATOM 1055 CB LYS A 71 5.059 12.120 2.955 1.00 0.00 C ATOM 1056 CG LYS A 71 3.784 12.846 2.520 1.00 0.00 C ATOM 1057 CD LYS A 71 2.464 12.187 2.924 1.00 0.00 C ATOM 1058 CE LYS A 71 2.118 12.354 4.405 1.00 0.00 C ATOM 1059 NZ LYS A 71 0.877 11.608 4.709 1.00 0.00 N ATOM 0 H LYS A 71 7.074 10.713 3.332 1.00 0.00 H new ATOM 0 HA LYS A 71 4.448 10.146 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.003 11.928 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.910 12.782 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.805 13.854 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.799 12.946 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.659 12.609 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.513 11.124 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.936 11.987 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.988 13.410 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.642 11.721 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.098 11.978 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.018 10.599 4.498 1.00 0.00 H new ATOM 1073 N MET A 72 4.963 10.410 -0.099 1.00 0.00 N ATOM 1074 CA MET A 72 5.049 10.522 -1.522 1.00 0.00 C ATOM 1075 C MET A 72 4.185 11.618 -2.044 1.00 0.00 C ATOM 1076 O MET A 72 3.445 12.218 -1.266 1.00 0.00 O ATOM 1077 CB MET A 72 4.543 9.206 -2.138 1.00 0.00 C ATOM 1078 CG MET A 72 5.315 7.961 -1.697 1.00 0.00 C ATOM 1079 SD MET A 72 7.080 8.078 -2.115 1.00 0.00 S ATOM 1080 CE MET A 72 7.670 6.516 -1.401 1.00 0.00 C ATOM 0 H MET A 72 4.280 9.708 0.185 1.00 0.00 H new ATOM 0 HA MET A 72 6.086 10.734 -1.784 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.492 9.078 -1.877 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.595 9.284 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.204 7.827 -0.621 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.886 7.080 -2.174 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.685 6.319 -1.746 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.664 6.588 -0.313 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.016 5.703 -1.714 1.00 0.00 H new ATOM 1090 N LYS A 73 4.278 12.023 -3.323 1.00 0.00 N ATOM 1091 CA LYS A 73 3.560 13.145 -3.844 1.00 0.00 C ATOM 1092 C LYS A 73 2.131 12.791 -4.072 1.00 0.00 C ATOM 1093 O LYS A 73 1.702 11.664 -3.831 1.00 0.00 O ATOM 1094 CB LYS A 73 4.242 13.790 -5.062 1.00 0.00 C ATOM 1095 CG LYS A 73 4.413 12.946 -6.326 1.00 0.00 C ATOM 1096 CD LYS A 73 5.068 13.734 -7.462 1.00 0.00 C ATOM 1097 CE LYS A 73 5.732 12.861 -8.529 1.00 0.00 C ATOM 1098 NZ LYS A 73 4.737 11.875 -9.007 1.00 0.00 N ATOM 0 H LYS A 73 4.868 11.558 -4.013 1.00 0.00 H new ATOM 0 HA LYS A 73 3.578 13.930 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.672 14.680 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.231 14.127 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.020 12.070 -6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.439 12.582 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.313 14.359 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.816 14.405 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.085 13.476 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.603 12.352 -8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.039 11.495 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.661 11.098 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.811 12.338 -9.110 1.00 0.00 H new ATOM 1112 N ASP A 74 1.283 13.773 -4.429 1.00 0.00 N ATOM 1113 CA ASP A 74 -0.128 13.584 -4.568 1.00 0.00 C ATOM 1114 C ASP A 74 -0.317 12.566 -5.639 1.00 0.00 C ATOM 1115 O ASP A 74 -1.116 11.633 -5.570 1.00 0.00 O ATOM 1116 CB ASP A 74 -0.905 14.883 -4.843 1.00 0.00 C ATOM 1117 CG ASP A 74 -1.037 15.485 -3.451 1.00 0.00 C ATOM 1118 OD1 ASP A 74 -0.027 16.176 -3.151 1.00 0.00 O ATOM 1119 OD2 ASP A 74 -2.101 15.272 -2.810 1.00 0.00 O ATOM 0 H ASP A 74 1.588 14.726 -4.627 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.547 13.238 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.365 15.543 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.877 14.687 -5.295 1.00 0.00 H new ATOM 1124 N THR A 75 0.380 12.758 -6.773 1.00 0.00 N ATOM 1125 CA THR A 75 0.155 12.006 -7.969 1.00 0.00 C ATOM 1126 C THR A 75 0.660 10.609 -8.086 1.00 0.00 C ATOM 1127 O THR A 75 0.473 9.936 -9.098 1.00 0.00 O ATOM 1128 CB THR A 75 0.731 12.696 -9.169 1.00 0.00 C ATOM 1129 OG1 THR A 75 2.036 13.232 -9.009 1.00 0.00 O ATOM 1130 CG2 THR A 75 -0.160 13.923 -9.426 1.00 0.00 C ATOM 0 H THR A 75 1.120 13.455 -6.861 1.00 0.00 H new ATOM 0 HA THR A 75 -0.932 11.946 -7.916 1.00 0.00 H new ATOM 0 HB THR A 75 0.778 11.942 -9.955 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.320 13.657 -9.845 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.213 14.468 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.183 13.597 -9.614 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.142 14.575 -8.553 1.00 0.00 H new ATOM 1138 N ASP A 76 1.184 10.042 -6.984 1.00 0.00 N ATOM 1139 CA ASP A 76 1.721 8.717 -6.975 1.00 0.00 C ATOM 1140 C ASP A 76 0.621 7.717 -6.874 1.00 0.00 C ATOM 1141 O ASP A 76 0.737 6.574 -7.315 1.00 0.00 O ATOM 1142 CB ASP A 76 2.770 8.461 -5.879 1.00 0.00 C ATOM 1143 CG ASP A 76 4.147 8.911 -6.343 1.00 0.00 C ATOM 1144 OD1 ASP A 76 4.280 9.943 -7.055 1.00 0.00 O ATOM 1145 OD2 ASP A 76 5.142 8.185 -6.076 1.00 0.00 O ATOM 0 H ASP A 76 1.235 10.514 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 76 2.250 8.608 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.493 8.996 -4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.793 7.400 -5.630 1.00 0.00 H new ATOM 1150 N SER A 77 -0.560 8.163 -6.409 1.00 0.00 N ATOM 1151 CA SER A 77 -1.820 7.502 -6.267 1.00 0.00 C ATOM 1152 C SER A 77 -2.311 6.761 -7.463 1.00 0.00 C ATOM 1153 O SER A 77 -2.571 5.559 -7.498 1.00 0.00 O ATOM 1154 CB SER A 77 -2.989 8.386 -5.800 1.00 0.00 C ATOM 1155 OG SER A 77 -3.016 9.609 -6.520 1.00 0.00 O ATOM 0 H SER A 77 -0.635 9.128 -6.088 1.00 0.00 H new ATOM 0 HA SER A 77 -1.547 6.795 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.931 7.855 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.894 8.589 -4.733 1.00 0.00 H new ATOM 0 HG SER A 77 -2.346 10.221 -6.151 1.00 0.00 H new ATOM 1161 N GLU A 78 -2.302 7.509 -8.581 1.00 0.00 N ATOM 1162 CA GLU A 78 -2.619 7.117 -9.919 1.00 0.00 C ATOM 1163 C GLU A 78 -1.735 6.073 -10.511 1.00 0.00 C ATOM 1164 O GLU A 78 -2.166 5.196 -11.258 1.00 0.00 O ATOM 1165 CB GLU A 78 -2.436 8.385 -10.769 1.00 0.00 C ATOM 1166 CG GLU A 78 -3.588 9.380 -10.612 1.00 0.00 C ATOM 1167 CD GLU A 78 -4.929 8.808 -11.046 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -4.947 8.296 -12.197 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -5.910 8.812 -10.256 1.00 0.00 O ATOM 0 H GLU A 78 -2.044 8.495 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.621 6.689 -9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.502 8.872 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.347 8.103 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.652 9.692 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.373 10.273 -11.199 1.00 0.00 H new ATOM 1176 N GLU A 79 -0.468 6.030 -10.062 1.00 0.00 N ATOM 1177 CA GLU A 79 0.469 5.015 -10.433 1.00 0.00 C ATOM 1178 C GLU A 79 0.372 3.779 -9.607 1.00 0.00 C ATOM 1179 O GLU A 79 0.185 2.651 -10.061 1.00 0.00 O ATOM 1180 CB GLU A 79 1.886 5.589 -10.265 1.00 0.00 C ATOM 1181 CG GLU A 79 2.240 6.729 -11.223 1.00 0.00 C ATOM 1182 CD GLU A 79 3.735 7.003 -11.295 1.00 0.00 C ATOM 1183 OE1 GLU A 79 4.195 7.706 -10.356 1.00 0.00 O ATOM 1184 OE2 GLU A 79 4.484 6.661 -12.250 1.00 0.00 O ATOM 0 H GLU A 79 -0.083 6.723 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 79 0.245 4.733 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.998 5.947 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.607 4.783 -10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.872 6.486 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.725 7.636 -10.906 1.00 0.00 H new ATOM 1191 N GLU A 80 0.444 3.982 -8.280 1.00 0.00 N ATOM 1192 CA GLU A 80 0.807 3.115 -7.202 1.00 0.00 C ATOM 1193 C GLU A 80 -0.296 2.250 -6.699 1.00 0.00 C ATOM 1194 O GLU A 80 -0.153 1.040 -6.532 1.00 0.00 O ATOM 1195 CB GLU A 80 1.310 3.990 -6.041 1.00 0.00 C ATOM 1196 CG GLU A 80 1.939 3.187 -4.901 1.00 0.00 C ATOM 1197 CD GLU A 80 2.033 4.089 -3.678 1.00 0.00 C ATOM 1198 OE1 GLU A 80 1.004 4.411 -3.026 1.00 0.00 O ATOM 1199 OE2 GLU A 80 3.148 4.539 -3.303 1.00 0.00 O ATOM 0 H GLU A 80 0.209 4.904 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 80 1.568 2.437 -7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.044 4.700 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.477 4.573 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.336 2.307 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.929 2.831 -5.188 1.00 0.00 H new ATOM 1206 N ILE A 81 -1.486 2.850 -6.514 1.00 0.00 N ATOM 1207 CA ILE A 81 -2.606 2.212 -5.894 1.00 0.00 C ATOM 1208 C ILE A 81 -3.227 1.502 -7.047 1.00 0.00 C ATOM 1209 O ILE A 81 -3.764 0.399 -6.957 1.00 0.00 O ATOM 1210 CB ILE A 81 -3.394 3.252 -5.154 1.00 0.00 C ATOM 1211 CG1 ILE A 81 -2.653 3.955 -4.004 1.00 0.00 C ATOM 1212 CG2 ILE A 81 -4.713 2.669 -4.620 1.00 0.00 C ATOM 1213 CD1 ILE A 81 -2.209 3.089 -2.827 1.00 0.00 C ATOM 0 H ILE A 81 -1.675 3.809 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.430 1.480 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.580 4.020 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.769 4.441 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.299 4.744 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.264 3.444 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.313 2.304 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.498 1.845 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.700 3.710 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.081 2.623 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.528 2.315 -3.181 1.00 0.00 H new ATOM 1225 N ARG A 82 -3.197 2.062 -8.270 1.00 0.00 N ATOM 1226 CA ARG A 82 -3.663 1.488 -9.494 1.00 0.00 C ATOM 1227 C ARG A 82 -2.889 0.281 -9.897 1.00 0.00 C ATOM 1228 O ARG A 82 -3.485 -0.718 -10.299 1.00 0.00 O ATOM 1229 CB ARG A 82 -3.733 2.461 -10.683 1.00 0.00 C ATOM 1230 CG ARG A 82 -4.873 3.470 -10.530 1.00 0.00 C ATOM 1231 CD ARG A 82 -5.249 4.246 -11.795 1.00 0.00 C ATOM 1232 NE ARG A 82 -5.857 5.573 -11.496 1.00 0.00 N ATOM 1233 CZ ARG A 82 -7.192 5.734 -11.259 1.00 0.00 C ATOM 1234 NH1 ARG A 82 -8.030 4.659 -11.323 1.00 0.00 N ATOM 1235 NH2 ARG A 82 -7.694 6.997 -11.128 1.00 0.00 N ATOM 0 H ARG A 82 -2.813 2.996 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.687 1.202 -9.254 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.786 2.994 -10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.869 1.897 -11.606 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.757 2.940 -10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.598 4.186 -9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.358 4.389 -12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.950 3.654 -12.384 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.252 6.394 -11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.659 3.736 -11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.027 4.779 -11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.074 7.803 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.689 7.134 -10.951 1.00 0.00 H new ATOM 1249 N GLU A 83 -1.556 0.228 -9.730 1.00 0.00 N ATOM 1250 CA GLU A 83 -0.759 -0.959 -9.751 1.00 0.00 C ATOM 1251 C GLU A 83 -0.992 -2.010 -8.721 1.00 0.00 C ATOM 1252 O GLU A 83 -0.873 -3.211 -8.959 1.00 0.00 O ATOM 1253 CB GLU A 83 0.756 -0.701 -9.697 1.00 0.00 C ATOM 1254 CG GLU A 83 1.413 -0.102 -10.942 1.00 0.00 C ATOM 1255 CD GLU A 83 1.360 -0.968 -12.193 1.00 0.00 C ATOM 1256 OE1 GLU A 83 0.247 -1.386 -12.610 1.00 0.00 O ATOM 1257 OE2 GLU A 83 2.432 -1.252 -12.792 1.00 0.00 O ATOM 0 H GLU A 83 -1.000 1.068 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.110 -1.338 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.954 -0.034 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.251 -1.647 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.933 0.852 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.457 0.112 -10.713 1.00 0.00 H new ATOM 1264 N ALA A 84 -1.417 -1.635 -7.501 1.00 0.00 N ATOM 1265 CA ALA A 84 -1.773 -2.566 -6.476 1.00 0.00 C ATOM 1266 C ALA A 84 -3.111 -3.162 -6.750 1.00 0.00 C ATOM 1267 O ALA A 84 -3.391 -4.333 -6.498 1.00 0.00 O ATOM 1268 CB ALA A 84 -1.747 -1.780 -5.155 1.00 0.00 C ATOM 0 H ALA A 84 -1.516 -0.659 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.078 -3.404 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.012 -2.443 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.747 -1.379 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.463 -0.960 -5.205 1.00 0.00 H new ATOM 1274 N PHE A 85 -4.097 -2.426 -7.293 1.00 0.00 N ATOM 1275 CA PHE A 85 -5.395 -2.904 -7.655 1.00 0.00 C ATOM 1276 C PHE A 85 -5.409 -3.805 -8.842 1.00 0.00 C ATOM 1277 O PHE A 85 -6.327 -4.604 -9.016 1.00 0.00 O ATOM 1278 CB PHE A 85 -6.171 -1.586 -7.822 1.00 0.00 C ATOM 1279 CG PHE A 85 -7.634 -1.584 -7.542 1.00 0.00 C ATOM 1280 CD1 PHE A 85 -8.064 -1.445 -6.243 1.00 0.00 C ATOM 1281 CD2 PHE A 85 -8.515 -1.930 -8.540 1.00 0.00 C ATOM 1282 CE1 PHE A 85 -9.411 -1.410 -5.970 1.00 0.00 C ATOM 1283 CE2 PHE A 85 -9.858 -1.895 -8.248 1.00 0.00 C ATOM 1284 CZ PHE A 85 -10.317 -1.668 -6.972 1.00 0.00 C ATOM 0 H PHE A 85 -3.979 -1.433 -7.492 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.842 -3.569 -6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.708 -0.844 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.029 -1.245 -8.847 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.346 -1.364 -5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.164 -2.219 -9.519 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.756 -1.181 -4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.572 -2.050 -9.043 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.376 -1.692 -6.759 1.00 0.00 H new ATOM 1294 N ARG A 86 -4.350 -3.885 -9.667 1.00 0.00 N ATOM 1295 CA ARG A 86 -4.006 -4.964 -10.540 1.00 0.00 C ATOM 1296 C ARG A 86 -3.793 -6.313 -9.944 1.00 0.00 C ATOM 1297 O ARG A 86 -4.129 -7.300 -10.597 1.00 0.00 O ATOM 1298 CB ARG A 86 -2.895 -4.639 -11.552 1.00 0.00 C ATOM 1299 CG ARG A 86 -3.217 -3.522 -12.547 1.00 0.00 C ATOM 1300 CD ARG A 86 -2.479 -3.669 -13.879 1.00 0.00 C ATOM 1301 NE ARG A 86 -1.019 -3.529 -13.612 1.00 0.00 N ATOM 1302 CZ ARG A 86 0.025 -4.394 -13.766 1.00 0.00 C ATOM 1303 NH1 ARG A 86 -0.125 -5.710 -14.096 1.00 0.00 N ATOM 1304 NH2 ARG A 86 1.272 -3.946 -13.437 1.00 0.00 N ATOM 0 H ARG A 86 -3.674 -3.124 -9.727 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.952 -5.056 -11.073 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.995 -4.363 -11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.661 -5.544 -12.112 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.291 -3.509 -12.734 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.960 -2.561 -12.101 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.693 -4.638 -14.329 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.812 -2.909 -14.586 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.750 -2.616 -13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.058 -6.096 -14.242 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.696 -6.307 -14.197 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.397 -2.995 -13.090 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.078 -4.562 -13.538 1.00 0.00 H new ATOM 1318 N VAL A 87 -3.307 -6.345 -8.691 1.00 0.00 N ATOM 1319 CA VAL A 87 -3.157 -7.477 -7.830 1.00 0.00 C ATOM 1320 C VAL A 87 -4.477 -7.925 -7.302 1.00 0.00 C ATOM 1321 O VAL A 87 -4.819 -9.103 -7.392 1.00 0.00 O ATOM 1322 CB VAL A 87 -2.286 -7.238 -6.633 1.00 0.00 C ATOM 1323 CG1 VAL A 87 -2.441 -8.430 -5.674 1.00 0.00 C ATOM 1324 CG2 VAL A 87 -0.842 -7.040 -7.125 1.00 0.00 C ATOM 0 H VAL A 87 -2.987 -5.490 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.685 -8.227 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.572 -6.341 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.814 -8.274 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.483 -8.516 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.136 -9.346 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.188 -6.864 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.513 -7.933 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.801 -6.182 -7.796 1.00 0.00 H new ATOM 1334 N PHE A 88 -5.306 -6.998 -6.791 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.574 -7.358 -6.238 1.00 0.00 C ATOM 1336 C PHE A 88 -7.610 -7.686 -7.257 1.00 0.00 C ATOM 1337 O PHE A 88 -8.139 -8.792 -7.350 1.00 0.00 O ATOM 1338 CB PHE A 88 -6.869 -6.135 -5.354 1.00 0.00 C ATOM 1339 CG PHE A 88 -6.993 -6.527 -3.921 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -8.014 -7.377 -3.566 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -6.089 -6.048 -3.003 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -8.092 -7.772 -2.251 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -6.251 -6.402 -1.684 1.00 0.00 C ATOM 1344 CZ PHE A 88 -7.229 -7.287 -1.297 1.00 0.00 C ATOM 0 H PHE A 88 -5.098 -6.000 -6.761 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.574 -8.293 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -6.071 -5.401 -5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.791 -5.657 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.731 -7.723 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.273 -5.410 -3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.852 -8.482 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.597 -5.976 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.318 -7.595 -0.266 1.00 0.00 H new ATOM 1354 N ASP A 89 -7.869 -6.783 -8.220 1.00 0.00 N ATOM 1355 CA ASP A 89 -8.951 -7.061 -9.113 1.00 0.00 C ATOM 1356 C ASP A 89 -8.513 -7.898 -10.265 1.00 0.00 C ATOM 1357 O ASP A 89 -7.456 -7.670 -10.852 1.00 0.00 O ATOM 1358 CB ASP A 89 -9.509 -5.705 -9.575 1.00 0.00 C ATOM 1359 CG ASP A 89 -10.849 -5.784 -10.292 1.00 0.00 C ATOM 1360 OD1 ASP A 89 -11.828 -6.233 -9.638 1.00 0.00 O ATOM 1361 OD2 ASP A 89 -10.932 -5.342 -11.469 1.00 0.00 O ATOM 0 H ASP A 89 -7.364 -5.911 -8.377 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.724 -7.640 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -9.614 -5.055 -8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.783 -5.235 -10.239 1.00 0.00 H new ATOM 1366 N LYS A 90 -9.198 -9.030 -10.509 1.00 0.00 N ATOM 1367 CA LYS A 90 -8.927 -10.086 -11.434 1.00 0.00 C ATOM 1368 C LYS A 90 -9.312 -9.702 -12.821 1.00 0.00 C ATOM 1369 O LYS A 90 -8.545 -9.518 -13.764 1.00 0.00 O ATOM 1370 CB LYS A 90 -9.480 -11.487 -11.120 1.00 0.00 C ATOM 1371 CG LYS A 90 -9.068 -12.632 -12.047 1.00 0.00 C ATOM 1372 CD LYS A 90 -7.549 -12.811 -12.078 1.00 0.00 C ATOM 1373 CE LYS A 90 -7.171 -13.940 -13.038 1.00 0.00 C ATOM 1374 NZ LYS A 90 -5.698 -14.074 -13.052 1.00 0.00 N ATOM 0 H LYS A 90 -10.052 -9.225 -9.987 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.848 -10.201 -11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.177 -11.749 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.568 -11.427 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.538 -13.558 -11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.433 -12.434 -13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.072 -11.882 -12.391 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.181 -13.036 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.633 -14.875 -12.722 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.541 -13.724 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.425 -14.839 -13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.271 -13.181 -13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.361 -14.296 -12.094 1.00 0.00 H new ATOM 1388 N ASP A 91 -10.624 -9.502 -13.041 1.00 0.00 N ATOM 1389 CA ASP A 91 -11.331 -9.340 -14.273 1.00 0.00 C ATOM 1390 C ASP A 91 -11.018 -8.125 -15.077 1.00 0.00 C ATOM 1391 O ASP A 91 -10.119 -8.110 -15.916 1.00 0.00 O ATOM 1392 CB ASP A 91 -12.822 -9.555 -13.962 1.00 0.00 C ATOM 1393 CG ASP A 91 -13.324 -8.887 -12.690 1.00 0.00 C ATOM 1394 OD1 ASP A 91 -13.151 -7.651 -12.518 1.00 0.00 O ATOM 1395 OD2 ASP A 91 -13.791 -9.528 -11.710 1.00 0.00 O ATOM 0 H ASP A 91 -11.267 -9.448 -12.251 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.976 -10.094 -14.976 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.409 -9.185 -14.803 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.010 -10.626 -13.889 1.00 0.00 H new ATOM 1400 N GLY A 92 -11.845 -7.087 -14.862 1.00 0.00 N ATOM 1401 CA GLY A 92 -11.697 -5.775 -15.413 1.00 0.00 C ATOM 1402 C GLY A 92 -12.955 -5.008 -15.198 1.00 0.00 C ATOM 1403 O GLY A 92 -13.450 -4.233 -16.016 1.00 0.00 O ATOM 0 H GLY A 92 -12.669 -7.169 -14.266 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.859 -5.262 -14.941 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.473 -5.838 -16.478 1.00 0.00 H new ATOM 1407 N ASN A 93 -13.590 -5.247 -14.037 1.00 0.00 N ATOM 1408 CA ASN A 93 -14.794 -4.538 -13.735 1.00 0.00 C ATOM 1409 C ASN A 93 -14.604 -3.287 -12.949 1.00 0.00 C ATOM 1410 O ASN A 93 -15.246 -2.275 -13.227 1.00 0.00 O ATOM 1411 CB ASN A 93 -15.979 -5.387 -13.245 1.00 0.00 C ATOM 1412 CG ASN A 93 -15.864 -6.205 -11.966 1.00 0.00 C ATOM 1413 OD1 ASN A 93 -14.979 -5.913 -11.163 1.00 0.00 O ATOM 1414 ND2 ASN A 93 -16.876 -7.090 -11.763 1.00 0.00 N ATOM 0 H ASN A 93 -13.282 -5.911 -13.326 1.00 0.00 H new ATOM 0 HA ASN A 93 -15.105 -4.213 -14.728 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.828 -4.715 -13.122 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -16.234 -6.079 -14.048 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.950 -7.585 -10.874 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.561 -7.259 -12.500 1.00 0.00 H new ATOM 1421 N GLY A 94 -13.687 -3.371 -11.968 1.00 0.00 N ATOM 1422 CA GLY A 94 -13.530 -2.391 -10.939 1.00 0.00 C ATOM 1423 C GLY A 94 -14.315 -2.595 -9.689 1.00 0.00 C ATOM 1424 O GLY A 94 -14.493 -1.652 -8.919 1.00 0.00 O ATOM 0 H GLY A 94 -13.032 -4.149 -11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.474 -2.345 -10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.797 -1.419 -11.353 1.00 0.00 H new ATOM 1428 N TYR A 95 -14.863 -3.790 -9.407 1.00 0.00 N ATOM 1429 CA TYR A 95 -15.399 -4.007 -8.099 1.00 0.00 C ATOM 1430 C TYR A 95 -14.701 -5.240 -7.639 1.00 0.00 C ATOM 1431 O TYR A 95 -14.576 -6.204 -8.393 1.00 0.00 O ATOM 1432 CB TYR A 95 -16.870 -4.448 -8.194 1.00 0.00 C ATOM 1433 CG TYR A 95 -17.642 -3.334 -8.814 1.00 0.00 C ATOM 1434 CD1 TYR A 95 -18.184 -2.371 -7.995 1.00 0.00 C ATOM 1435 CD2 TYR A 95 -17.965 -3.420 -10.147 1.00 0.00 C ATOM 1436 CE1 TYR A 95 -18.967 -1.405 -8.580 1.00 0.00 C ATOM 1437 CE2 TYR A 95 -18.673 -2.387 -10.715 1.00 0.00 C ATOM 1438 CZ TYR A 95 -19.124 -1.342 -9.944 1.00 0.00 C ATOM 1439 OH TYR A 95 -19.951 -0.330 -10.477 1.00 0.00 O ATOM 0 H TYR A 95 -14.935 -4.576 -10.053 1.00 0.00 H new ATOM 0 HA TYR A 95 -15.295 -3.115 -7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -16.959 -5.354 -8.793 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -17.263 -4.681 -7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -18.001 -2.374 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -17.670 -4.277 -10.734 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -19.469 -0.681 -7.955 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -18.876 -2.397 -11.776 1.00 0.00 H new ATOM 0 HH TYR A 95 -19.970 -0.404 -11.454 1.00 0.00 H new ATOM 1449 N ILE A 96 -14.124 -5.234 -6.423 1.00 0.00 N ATOM 1450 CA ILE A 96 -13.584 -6.486 -5.993 1.00 0.00 C ATOM 1451 C ILE A 96 -14.670 -7.308 -5.390 1.00 0.00 C ATOM 1452 O ILE A 96 -15.405 -6.877 -4.503 1.00 0.00 O ATOM 1453 CB ILE A 96 -12.515 -6.115 -5.009 1.00 0.00 C ATOM 1454 CG1 ILE A 96 -11.424 -5.169 -5.538 1.00 0.00 C ATOM 1455 CG2 ILE A 96 -11.723 -7.387 -4.661 1.00 0.00 C ATOM 1456 CD1 ILE A 96 -10.515 -4.532 -4.487 1.00 0.00 C ATOM 0 H ILE A 96 -14.034 -4.441 -5.788 1.00 0.00 H new ATOM 0 HA ILE A 96 -13.167 -7.091 -6.798 1.00 0.00 H new ATOM 0 HB ILE A 96 -13.054 -5.631 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.801 -5.723 -6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.907 -4.371 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.938 -7.142 -3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.395 -8.126 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.274 -7.795 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.787 -3.887 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -11.116 -3.941 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.993 -5.314 -3.936 1.00 0.00 H new ATOM 1468 N SER A 97 -14.836 -8.559 -5.857 1.00 0.00 N ATOM 1469 CA SER A 97 -15.845 -9.411 -5.309 1.00 0.00 C ATOM 1470 C SER A 97 -15.341 -10.306 -4.229 1.00 0.00 C ATOM 1471 O SER A 97 -14.132 -10.444 -4.053 1.00 0.00 O ATOM 1472 CB SER A 97 -16.392 -10.329 -6.414 1.00 0.00 C ATOM 1473 OG SER A 97 -17.556 -11.071 -6.080 1.00 0.00 O ATOM 0 H SER A 97 -14.280 -8.976 -6.604 1.00 0.00 H new ATOM 0 HA SER A 97 -16.603 -8.748 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.611 -9.720 -7.291 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.607 -11.029 -6.700 1.00 0.00 H new ATOM 0 HG SER A 97 -17.825 -11.620 -6.846 1.00 0.00 H new ATOM 1479 N ALA A 98 -16.235 -11.000 -3.502 1.00 0.00 N ATOM 1480 CA ALA A 98 -15.961 -11.825 -2.367 1.00 0.00 C ATOM 1481 C ALA A 98 -14.999 -12.951 -2.535 1.00 0.00 C ATOM 1482 O ALA A 98 -13.944 -13.029 -1.909 1.00 0.00 O ATOM 1483 CB ALA A 98 -17.240 -12.393 -1.728 1.00 0.00 C ATOM 0 H ALA A 98 -17.229 -10.981 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.463 -11.103 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -16.975 -13.012 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -17.878 -11.572 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -17.775 -12.998 -2.460 1.00 0.00 H new ATOM 1489 N ALA A 99 -15.241 -13.797 -3.552 1.00 0.00 N ATOM 1490 CA ALA A 99 -14.351 -14.813 -4.020 1.00 0.00 C ATOM 1491 C ALA A 99 -13.004 -14.343 -4.450 1.00 0.00 C ATOM 1492 O ALA A 99 -11.991 -14.930 -4.075 1.00 0.00 O ATOM 1493 CB ALA A 99 -14.902 -15.789 -5.073 1.00 0.00 C ATOM 0 H ALA A 99 -16.113 -13.769 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.241 -15.375 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.128 -16.508 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.763 -16.318 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.206 -15.233 -5.960 1.00 0.00 H new ATOM 1499 N GLU A 100 -12.958 -13.307 -5.307 1.00 0.00 N ATOM 1500 CA GLU A 100 -11.868 -12.601 -5.906 1.00 0.00 C ATOM 1501 C GLU A 100 -10.914 -12.115 -4.871 1.00 0.00 C ATOM 1502 O GLU A 100 -9.709 -12.359 -4.905 1.00 0.00 O ATOM 1503 CB GLU A 100 -12.412 -11.379 -6.666 1.00 0.00 C ATOM 1504 CG GLU A 100 -11.420 -10.602 -7.533 1.00 0.00 C ATOM 1505 CD GLU A 100 -12.206 -9.689 -8.464 1.00 0.00 C ATOM 1506 OE1 GLU A 100 -13.187 -9.019 -8.046 1.00 0.00 O ATOM 1507 OE2 GLU A 100 -11.805 -9.498 -9.643 1.00 0.00 O ATOM 0 H GLU A 100 -13.838 -12.903 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.351 -13.283 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -13.230 -11.714 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.838 -10.689 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.747 -10.016 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.801 -11.289 -8.110 1.00 0.00 H new ATOM 1514 N LEU A 101 -11.394 -11.389 -3.845 1.00 0.00 N ATOM 1515 CA LEU A 101 -10.736 -10.869 -2.687 1.00 0.00 C ATOM 1516 C LEU A 101 -10.282 -12.010 -1.843 1.00 0.00 C ATOM 1517 O LEU A 101 -9.118 -12.019 -1.447 1.00 0.00 O ATOM 1518 CB LEU A 101 -11.894 -10.180 -1.944 1.00 0.00 C ATOM 1519 CG LEU A 101 -11.520 -9.275 -0.758 1.00 0.00 C ATOM 1520 CD1 LEU A 101 -12.527 -8.112 -0.737 1.00 0.00 C ATOM 1521 CD2 LEU A 101 -11.430 -10.030 0.579 1.00 0.00 C ATOM 0 H LEU A 101 -12.382 -11.135 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 101 -9.883 -10.229 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.451 -9.581 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.571 -10.953 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 101 -10.511 -8.886 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.295 -7.445 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.465 -7.560 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -13.536 -8.506 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.163 -9.333 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.394 -10.485 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.669 -10.808 0.507 1.00 0.00 H new ATOM 1533 N ARG A 102 -11.096 -13.047 -1.578 1.00 0.00 N ATOM 1534 CA ARG A 102 -10.620 -14.221 -0.914 1.00 0.00 C ATOM 1535 C ARG A 102 -9.509 -15.019 -1.503 1.00 0.00 C ATOM 1536 O ARG A 102 -8.594 -15.473 -0.818 1.00 0.00 O ATOM 1537 CB ARG A 102 -11.830 -15.154 -0.743 1.00 0.00 C ATOM 1538 CG ARG A 102 -11.657 -16.334 0.216 1.00 0.00 C ATOM 1539 CD ARG A 102 -13.017 -16.914 0.610 1.00 0.00 C ATOM 1540 NE ARG A 102 -12.758 -17.876 1.718 1.00 0.00 N ATOM 1541 CZ ARG A 102 -13.626 -18.463 2.592 1.00 0.00 C ATOM 1542 NH1 ARG A 102 -14.974 -18.280 2.472 1.00 0.00 N ATOM 1543 NH2 ARG A 102 -13.229 -19.471 3.422 1.00 0.00 N ATOM 0 H ARG A 102 -12.086 -13.073 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.165 -13.830 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.674 -14.557 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.097 -15.548 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.049 -17.106 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -11.122 -16.009 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -13.697 -16.125 0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.486 -17.414 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.780 -18.136 1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.345 -17.698 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.610 -18.726 3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.264 -19.802 3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.897 -19.894 4.067 1.00 0.00 H new ATOM 1557 N HIS A 103 -9.454 -15.137 -2.842 1.00 0.00 N ATOM 1558 CA HIS A 103 -8.401 -15.747 -3.593 1.00 0.00 C ATOM 1559 C HIS A 103 -7.113 -15.002 -3.513 1.00 0.00 C ATOM 1560 O HIS A 103 -6.033 -15.574 -3.372 1.00 0.00 O ATOM 1561 CB HIS A 103 -8.895 -16.004 -5.027 1.00 0.00 C ATOM 1562 CG HIS A 103 -7.961 -16.791 -5.898 1.00 0.00 C ATOM 1563 ND1 HIS A 103 -7.695 -18.144 -5.957 1.00 0.00 N ATOM 1564 CD2 HIS A 103 -7.287 -16.308 -6.975 1.00 0.00 C ATOM 1565 CE1 HIS A 103 -6.887 -18.365 -7.028 1.00 0.00 C ATOM 1566 NE2 HIS A 103 -6.518 -17.249 -7.629 1.00 0.00 N ATOM 0 H HIS A 103 -10.199 -14.780 -3.441 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.156 -16.710 -3.145 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.848 -16.531 -4.976 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.087 -15.043 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.348 -15.277 -7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -6.580 -19.348 -7.352 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -5.841 -17.117 -8.381 1.00 0.00 H new ATOM 1574 N VAL A 104 -7.155 -13.658 -3.482 1.00 0.00 N ATOM 1575 CA VAL A 104 -6.051 -12.797 -3.189 1.00 0.00 C ATOM 1576 C VAL A 104 -5.414 -13.014 -1.860 1.00 0.00 C ATOM 1577 O VAL A 104 -4.216 -13.285 -1.809 1.00 0.00 O ATOM 1578 CB VAL A 104 -6.413 -11.362 -3.432 1.00 0.00 C ATOM 1579 CG1 VAL A 104 -5.389 -10.336 -2.917 1.00 0.00 C ATOM 1580 CG2 VAL A 104 -6.631 -11.033 -4.918 1.00 0.00 C ATOM 0 H VAL A 104 -8.013 -13.141 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.267 -13.077 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 104 -7.339 -11.270 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.740 -9.328 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.271 -10.449 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.429 -10.502 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.890 -9.979 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.717 -11.239 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.441 -11.647 -5.311 1.00 0.00 H new ATOM 1590 N MET A 105 -6.265 -13.059 -0.819 1.00 0.00 N ATOM 1591 CA MET A 105 -5.833 -13.518 0.464 1.00 0.00 C ATOM 1592 C MET A 105 -5.265 -14.895 0.521 1.00 0.00 C ATOM 1593 O MET A 105 -4.310 -15.129 1.259 1.00 0.00 O ATOM 1594 CB MET A 105 -7.082 -13.519 1.361 1.00 0.00 C ATOM 1595 CG MET A 105 -7.679 -12.130 1.596 1.00 0.00 C ATOM 1596 SD MET A 105 -6.639 -10.826 2.320 1.00 0.00 S ATOM 1597 CE MET A 105 -8.029 -9.742 1.886 1.00 0.00 C ATOM 0 H MET A 105 -7.245 -12.780 -0.865 1.00 0.00 H new ATOM 0 HA MET A 105 -5.025 -12.853 0.768 1.00 0.00 H new ATOM 0 HB2 MET A 105 -7.841 -14.158 0.909 1.00 0.00 H new ATOM 0 HB3 MET A 105 -6.825 -13.961 2.324 1.00 0.00 H new ATOM 0 HG2 MET A 105 -8.044 -11.763 0.636 1.00 0.00 H new ATOM 0 HG3 MET A 105 -8.549 -12.252 2.242 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.985 -8.835 2.489 1.00 0.00 H new ATOM 0 HE2 MET A 105 -7.970 -9.479 0.830 1.00 0.00 H new ATOM 0 HE3 MET A 105 -8.968 -10.260 2.079 1.00 0.00 H new ATOM 1607 N THR A 106 -5.742 -15.812 -0.340 1.00 0.00 N ATOM 1608 CA THR A 106 -5.150 -17.091 -0.581 1.00 0.00 C ATOM 1609 C THR A 106 -3.824 -17.053 -1.261 1.00 0.00 C ATOM 1610 O THR A 106 -2.892 -17.647 -0.722 1.00 0.00 O ATOM 1611 CB THR A 106 -6.058 -18.181 -1.069 1.00 0.00 C ATOM 1612 OG1 THR A 106 -7.121 -18.359 -0.146 1.00 0.00 O ATOM 1613 CG2 THR A 106 -5.405 -19.570 -1.161 1.00 0.00 C ATOM 0 H THR A 106 -6.583 -15.653 -0.895 1.00 0.00 H new ATOM 0 HA THR A 106 -4.934 -17.413 0.438 1.00 0.00 H new ATOM 0 HB THR A 106 -6.363 -17.853 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.723 -17.587 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.137 -20.293 -1.522 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.562 -19.531 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.053 -19.873 -0.175 1.00 0.00 H new ATOM 1621 N ASN A 107 -3.595 -16.310 -2.358 1.00 0.00 N ATOM 1622 CA ASN A 107 -2.287 -16.174 -2.919 1.00 0.00 C ATOM 1623 C ASN A 107 -1.300 -15.364 -2.151 1.00 0.00 C ATOM 1624 O ASN A 107 -0.100 -15.585 -2.310 1.00 0.00 O ATOM 1625 CB ASN A 107 -2.516 -15.606 -4.330 1.00 0.00 C ATOM 1626 CG ASN A 107 -3.174 -16.516 -5.358 1.00 0.00 C ATOM 1627 OD1 ASN A 107 -3.009 -17.732 -5.278 1.00 0.00 O ATOM 1628 ND2 ASN A 107 -3.839 -15.899 -6.371 1.00 0.00 N ATOM 0 H ASN A 107 -4.322 -15.800 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 107 -1.807 -17.152 -2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.127 -14.709 -4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -1.550 -15.294 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.239 -16.451 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.938 -14.884 -6.372 1.00 0.00 H new ATOM 1635 N LEU A 108 -1.694 -14.376 -1.329 1.00 0.00 N ATOM 1636 CA LEU A 108 -0.855 -13.689 -0.397 1.00 0.00 C ATOM 1637 C LEU A 108 -0.452 -14.588 0.722 1.00 0.00 C ATOM 1638 O LEU A 108 0.668 -14.610 1.229 1.00 0.00 O ATOM 1639 CB LEU A 108 -1.564 -12.470 0.217 1.00 0.00 C ATOM 1640 CG LEU A 108 -1.696 -11.300 -0.772 1.00 0.00 C ATOM 1641 CD1 LEU A 108 -2.734 -10.291 -0.252 1.00 0.00 C ATOM 1642 CD2 LEU A 108 -0.389 -10.565 -1.116 1.00 0.00 C ATOM 0 H LEU A 108 -2.656 -14.037 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 108 0.020 -13.361 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.556 -12.766 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.011 -12.137 1.095 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.017 -11.760 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.823 -9.464 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.700 -10.784 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.415 -9.908 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.599 -9.760 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.044 -10.148 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.315 -11.266 -1.565 1.00 0.00 H new ATOM 1654 N GLY A 109 -1.413 -15.405 1.188 1.00 0.00 N ATOM 1655 CA GLY A 109 -1.130 -16.536 2.017 1.00 0.00 C ATOM 1656 C GLY A 109 -1.705 -16.372 3.381 1.00 0.00 C ATOM 1657 O GLY A 109 -1.105 -16.830 4.353 1.00 0.00 O ATOM 0 H GLY A 109 -2.405 -15.278 0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.536 -17.437 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.051 -16.674 2.090 1.00 0.00 H new ATOM 1661 N GLU A 110 -2.937 -15.835 3.437 1.00 0.00 N ATOM 1662 CA GLU A 110 -3.681 -15.480 4.605 1.00 0.00 C ATOM 1663 C GLU A 110 -4.734 -16.499 4.874 1.00 0.00 C ATOM 1664 O GLU A 110 -5.377 -17.010 3.958 1.00 0.00 O ATOM 1665 CB GLU A 110 -4.299 -14.097 4.336 1.00 0.00 C ATOM 1666 CG GLU A 110 -3.313 -12.938 4.174 1.00 0.00 C ATOM 1667 CD GLU A 110 -2.648 -12.533 5.482 1.00 0.00 C ATOM 1668 OE1 GLU A 110 -1.862 -13.367 6.004 1.00 0.00 O ATOM 1669 OE2 GLU A 110 -2.869 -11.391 5.967 1.00 0.00 O ATOM 0 H GLU A 110 -3.458 -15.631 2.584 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.042 -15.444 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.904 -14.162 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.976 -13.859 5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.544 -13.221 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.838 -12.078 3.758 1.00 0.00 H new ATOM 1676 N LYS A 111 -4.787 -16.902 6.156 1.00 0.00 N ATOM 1677 CA LYS A 111 -5.433 -18.119 6.538 1.00 0.00 C ATOM 1678 C LYS A 111 -6.767 -17.826 7.133 1.00 0.00 C ATOM 1679 O LYS A 111 -7.052 -18.241 8.256 1.00 0.00 O ATOM 1680 CB LYS A 111 -4.532 -18.950 7.468 1.00 0.00 C ATOM 1681 CG LYS A 111 -3.190 -19.305 6.826 1.00 0.00 C ATOM 1682 CD LYS A 111 -2.386 -20.311 7.652 1.00 0.00 C ATOM 1683 CE LYS A 111 -1.983 -19.752 9.018 1.00 0.00 C ATOM 1684 NZ LYS A 111 -1.233 -20.750 9.815 1.00 0.00 N ATOM 0 H LYS A 111 -4.380 -16.381 6.933 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.604 -18.730 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.354 -18.393 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.051 -19.867 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.365 -19.716 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.603 -18.396 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.976 -21.216 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.490 -20.597 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.371 -18.861 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.875 -19.445 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.976 -20.338 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.827 -21.590 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.369 -21.024 9.305 1.00 0.00 H new ATOM 1698 N LEU A 112 -7.620 -17.162 6.333 1.00 0.00 N ATOM 1699 CA LEU A 112 -8.829 -16.539 6.774 1.00 0.00 C ATOM 1700 C LEU A 112 -10.038 -17.391 6.593 1.00 0.00 C ATOM 1701 O LEU A 112 -10.211 -18.076 5.586 1.00 0.00 O ATOM 1702 CB LEU A 112 -8.908 -15.250 5.940 1.00 0.00 C ATOM 1703 CG LEU A 112 -7.697 -14.328 6.160 1.00 0.00 C ATOM 1704 CD1 LEU A 112 -7.793 -13.144 5.183 1.00 0.00 C ATOM 1705 CD2 LEU A 112 -7.503 -13.846 7.608 1.00 0.00 C ATOM 0 H LEU A 112 -7.459 -17.055 5.332 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.810 -16.352 7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.976 -15.509 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.821 -14.712 6.195 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.806 -14.923 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.939 -12.482 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.793 -13.517 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.715 -12.593 5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.625 -13.202 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.383 -13.287 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.363 -14.707 8.262 1.00 0.00 H new ATOM 1717 N THR A 113 -10.911 -17.411 7.616 1.00 0.00 N ATOM 1718 CA THR A 113 -12.021 -18.295 7.791 1.00 0.00 C ATOM 1719 C THR A 113 -13.242 -17.530 7.413 1.00 0.00 C ATOM 1720 O THR A 113 -13.047 -16.335 7.192 1.00 0.00 O ATOM 1721 CB THR A 113 -12.087 -18.869 9.175 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.092 -17.832 10.146 1.00 0.00 O ATOM 1723 CG2 THR A 113 -10.828 -19.689 9.503 1.00 0.00 C ATOM 0 H THR A 113 -10.831 -16.749 8.388 1.00 0.00 H new ATOM 0 HA THR A 113 -11.919 -19.172 7.151 1.00 0.00 H new ATOM 0 HB THR A 113 -12.990 -19.478 9.202 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.180 -17.495 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 113 -10.908 -20.091 10.513 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.733 -20.510 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.949 -19.048 9.436 1.00 0.00 H new ATOM 1731 N ASP A 114 -14.451 -18.078 7.197 1.00 0.00 N ATOM 1732 CA ASP A 114 -15.653 -17.581 6.603 1.00 0.00 C ATOM 1733 C ASP A 114 -16.049 -16.287 7.227 1.00 0.00 C ATOM 1734 O ASP A 114 -16.310 -15.301 6.540 1.00 0.00 O ATOM 1735 CB ASP A 114 -16.747 -18.659 6.532 1.00 0.00 C ATOM 1736 CG ASP A 114 -16.281 -19.772 5.604 1.00 0.00 C ATOM 1737 OD1 ASP A 114 -16.281 -19.562 4.361 1.00 0.00 O ATOM 1738 OD2 ASP A 114 -15.880 -20.850 6.117 1.00 0.00 O ATOM 0 H ASP A 114 -14.602 -19.041 7.496 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.471 -17.341 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -16.949 -19.057 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -17.678 -18.228 6.166 1.00 0.00 H new ATOM 1743 N GLU A 115 -16.054 -16.347 8.570 1.00 0.00 N ATOM 1744 CA GLU A 115 -16.427 -15.319 9.491 1.00 0.00 C ATOM 1745 C GLU A 115 -15.524 -14.135 9.534 1.00 0.00 C ATOM 1746 O GLU A 115 -15.902 -13.031 9.924 1.00 0.00 O ATOM 1747 CB GLU A 115 -16.380 -15.887 10.920 1.00 0.00 C ATOM 1748 CG GLU A 115 -17.444 -16.914 11.312 1.00 0.00 C ATOM 1749 CD GLU A 115 -17.509 -18.315 10.720 1.00 0.00 C ATOM 1750 OE1 GLU A 115 -16.467 -18.850 10.254 1.00 0.00 O ATOM 1751 OE2 GLU A 115 -18.601 -18.922 10.883 1.00 0.00 O ATOM 0 H GLU A 115 -15.769 -17.198 9.055 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.410 -14.998 9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.402 -16.345 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.448 -15.051 11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.369 -17.039 12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.409 -16.450 11.111 1.00 0.00 H new ATOM 1758 N GLU A 116 -14.259 -14.458 9.209 1.00 0.00 N ATOM 1759 CA GLU A 116 -13.222 -13.478 9.122 1.00 0.00 C ATOM 1760 C GLU A 116 -13.386 -12.773 7.819 1.00 0.00 C ATOM 1761 O GLU A 116 -13.327 -11.546 7.748 1.00 0.00 O ATOM 1762 CB GLU A 116 -11.792 -14.037 9.219 1.00 0.00 C ATOM 1763 CG GLU A 116 -11.565 -14.622 10.614 1.00 0.00 C ATOM 1764 CD GLU A 116 -10.207 -15.289 10.778 1.00 0.00 C ATOM 1765 OE1 GLU A 116 -9.915 -16.322 10.118 1.00 0.00 O ATOM 1766 OE2 GLU A 116 -9.426 -14.552 11.437 1.00 0.00 O ATOM 0 H GLU A 116 -13.953 -15.409 9.004 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.330 -12.818 9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.639 -14.806 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.067 -13.247 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.662 -13.827 11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.347 -15.351 10.825 1.00 0.00 H new ATOM 1773 N VAL A 117 -13.513 -13.527 6.713 1.00 0.00 N ATOM 1774 CA VAL A 117 -13.630 -13.108 5.351 1.00 0.00 C ATOM 1775 C VAL A 117 -14.807 -12.210 5.186 1.00 0.00 C ATOM 1776 O VAL A 117 -14.801 -11.135 4.588 1.00 0.00 O ATOM 1777 CB VAL A 117 -13.736 -14.208 4.336 1.00 0.00 C ATOM 1778 CG1 VAL A 117 -14.190 -13.894 2.900 1.00 0.00 C ATOM 1779 CG2 VAL A 117 -12.385 -14.927 4.187 1.00 0.00 C ATOM 0 H VAL A 117 -13.536 -14.544 6.785 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.689 -12.596 5.151 1.00 0.00 H new ATOM 0 HB VAL A 117 -14.547 -14.790 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -14.205 -14.813 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -15.190 -13.461 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.497 -13.186 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.476 -15.723 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.627 -14.214 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.093 -15.355 5.146 1.00 0.00 H new ATOM 1789 N ASP A 118 -15.956 -12.496 5.823 1.00 0.00 N ATOM 1790 CA ASP A 118 -17.151 -11.711 5.845 1.00 0.00 C ATOM 1791 C ASP A 118 -16.925 -10.433 6.576 1.00 0.00 C ATOM 1792 O ASP A 118 -17.334 -9.352 6.156 1.00 0.00 O ATOM 1793 CB ASP A 118 -18.212 -12.611 6.502 1.00 0.00 C ATOM 1794 CG ASP A 118 -19.668 -12.208 6.321 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -20.170 -12.111 5.169 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -20.315 -12.114 7.398 1.00 0.00 O ATOM 0 H ASP A 118 -16.056 -13.351 6.370 1.00 0.00 H new ATOM 0 HA ASP A 118 -17.479 -11.407 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -18.089 -13.621 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -18.003 -12.656 7.571 1.00 0.00 H new ATOM 1801 N GLU A 119 -16.136 -10.475 7.665 1.00 0.00 N ATOM 1802 CA GLU A 119 -15.939 -9.365 8.545 1.00 0.00 C ATOM 1803 C GLU A 119 -15.132 -8.311 7.868 1.00 0.00 C ATOM 1804 O GLU A 119 -15.316 -7.115 8.091 1.00 0.00 O ATOM 1805 CB GLU A 119 -15.152 -9.772 9.803 1.00 0.00 C ATOM 1806 CG GLU A 119 -15.411 -8.804 10.959 1.00 0.00 C ATOM 1807 CD GLU A 119 -14.566 -8.959 12.215 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -13.334 -9.199 12.103 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -15.125 -8.970 13.345 1.00 0.00 O ATOM 0 H GLU A 119 -15.618 -11.309 7.942 1.00 0.00 H new ATOM 0 HA GLU A 119 -16.931 -9.004 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -15.435 -10.781 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.086 -9.794 9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.272 -7.790 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -16.458 -8.897 11.246 1.00 0.00 H new ATOM 1816 N MET A 120 -14.177 -8.787 7.050 1.00 0.00 N ATOM 1817 CA MET A 120 -13.311 -7.966 6.262 1.00 0.00 C ATOM 1818 C MET A 120 -13.961 -7.321 5.087 1.00 0.00 C ATOM 1819 O MET A 120 -13.711 -6.207 4.628 1.00 0.00 O ATOM 1820 CB MET A 120 -12.013 -8.695 5.876 1.00 0.00 C ATOM 1821 CG MET A 120 -11.122 -9.087 7.056 1.00 0.00 C ATOM 1822 SD MET A 120 -9.795 -10.228 6.562 1.00 0.00 S ATOM 1823 CE MET A 120 -8.825 -8.924 5.752 1.00 0.00 C ATOM 0 H MET A 120 -14.001 -9.785 6.933 1.00 0.00 H new ATOM 0 HA MET A 120 -13.045 -7.138 6.919 1.00 0.00 H new ATOM 0 HB2 MET A 120 -12.271 -9.596 5.319 1.00 0.00 H new ATOM 0 HB3 MET A 120 -11.441 -8.056 5.203 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.684 -8.190 7.493 1.00 0.00 H new ATOM 0 HG3 MET A 120 -11.731 -9.554 7.830 1.00 0.00 H new ATOM 0 HE1 MET A 120 -7.789 -9.248 5.655 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.237 -8.726 4.762 1.00 0.00 H new ATOM 0 HE3 MET A 120 -8.866 -8.014 6.351 1.00 0.00 H new ATOM 1833 N ILE A 121 -14.789 -8.125 4.396 1.00 0.00 N ATOM 1834 CA ILE A 121 -15.602 -7.554 3.367 1.00 0.00 C ATOM 1835 C ILE A 121 -16.451 -6.443 3.883 1.00 0.00 C ATOM 1836 O ILE A 121 -16.512 -5.410 3.219 1.00 0.00 O ATOM 1837 CB ILE A 121 -16.388 -8.581 2.607 1.00 0.00 C ATOM 1838 CG1 ILE A 121 -15.328 -9.491 1.963 1.00 0.00 C ATOM 1839 CG2 ILE A 121 -17.200 -7.990 1.443 1.00 0.00 C ATOM 1840 CD1 ILE A 121 -15.854 -10.613 1.069 1.00 0.00 C ATOM 0 H ILE A 121 -14.895 -9.129 4.540 1.00 0.00 H new ATOM 0 HA ILE A 121 -14.919 -7.114 2.640 1.00 0.00 H new ATOM 0 HB ILE A 121 -17.086 -9.067 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -14.656 -8.869 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -14.732 -9.938 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -17.744 -8.788 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -17.908 -7.256 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -16.525 -7.507 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -15.016 -11.186 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -16.500 -11.270 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -16.423 -10.184 0.244 1.00 0.00 H new ATOM 1852 N ARG A 122 -17.135 -6.686 5.015 1.00 0.00 N ATOM 1853 CA ARG A 122 -17.915 -5.742 5.753 1.00 0.00 C ATOM 1854 C ARG A 122 -17.277 -4.522 6.323 1.00 0.00 C ATOM 1855 O ARG A 122 -17.876 -3.448 6.353 1.00 0.00 O ATOM 1856 CB ARG A 122 -18.622 -6.437 6.929 1.00 0.00 C ATOM 1857 CG ARG A 122 -19.804 -5.786 7.650 1.00 0.00 C ATOM 1858 CD ARG A 122 -21.131 -5.772 6.889 1.00 0.00 C ATOM 1859 NE ARG A 122 -21.753 -7.100 7.151 1.00 0.00 N ATOM 1860 CZ ARG A 122 -22.775 -7.469 6.325 1.00 0.00 C ATOM 1861 NH1 ARG A 122 -23.514 -6.494 5.719 1.00 0.00 N ATOM 1862 NH2 ARG A 122 -23.449 -8.647 6.468 1.00 0.00 N ATOM 0 H ARG A 122 -17.143 -7.611 5.445 1.00 0.00 H new ATOM 0 HA ARG A 122 -18.563 -5.372 4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -18.968 -7.404 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -17.861 -6.635 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -19.957 -6.305 8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -19.535 -4.757 7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -21.774 -4.962 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -20.970 -5.617 5.822 1.00 0.00 H new ATOM 0 HE ARG A 122 -21.432 -7.703 7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -23.298 -5.511 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -24.282 -6.748 5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -23.195 -9.292 7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -24.207 -8.882 5.827 1.00 0.00 H new ATOM 1876 N GLU A 123 -15.974 -4.601 6.649 1.00 0.00 N ATOM 1877 CA GLU A 123 -15.048 -3.549 6.932 1.00 0.00 C ATOM 1878 C GLU A 123 -14.796 -2.615 5.799 1.00 0.00 C ATOM 1879 O GLU A 123 -14.884 -1.412 6.037 1.00 0.00 O ATOM 1880 CB GLU A 123 -13.817 -3.975 7.750 1.00 0.00 C ATOM 1881 CG GLU A 123 -13.270 -2.835 8.611 1.00 0.00 C ATOM 1882 CD GLU A 123 -12.072 -3.409 9.354 1.00 0.00 C ATOM 1883 OE1 GLU A 123 -12.273 -4.183 10.328 1.00 0.00 O ATOM 1884 OE2 GLU A 123 -10.907 -3.090 8.997 1.00 0.00 O ATOM 0 H GLU A 123 -15.520 -5.512 6.722 1.00 0.00 H new ATOM 0 HA GLU A 123 -15.580 -2.911 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -14.082 -4.816 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -13.037 -4.323 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.976 -1.986 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -14.026 -2.475 9.309 1.00 0.00 H new ATOM 1891 N ALA A 124 -14.485 -3.129 4.595 1.00 0.00 N ATOM 1892 CA ALA A 124 -14.120 -2.275 3.507 1.00 0.00 C ATOM 1893 C ALA A 124 -15.253 -1.669 2.753 1.00 0.00 C ATOM 1894 O ALA A 124 -15.124 -0.551 2.256 1.00 0.00 O ATOM 1895 CB ALA A 124 -13.426 -3.239 2.530 1.00 0.00 C ATOM 0 H ALA A 124 -14.486 -4.125 4.376 1.00 0.00 H new ATOM 0 HA ALA A 124 -13.542 -1.438 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -13.099 -2.690 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -12.562 -3.690 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -14.125 -4.021 2.233 1.00 0.00 H new ATOM 1901 N ASP A 125 -16.412 -2.353 2.775 1.00 0.00 N ATOM 1902 CA ASP A 125 -17.602 -1.867 2.148 1.00 0.00 C ATOM 1903 C ASP A 125 -18.466 -0.977 2.973 1.00 0.00 C ATOM 1904 O ASP A 125 -18.787 -1.213 4.136 1.00 0.00 O ATOM 1905 CB ASP A 125 -18.449 -3.110 1.827 1.00 0.00 C ATOM 1906 CG ASP A 125 -19.618 -2.928 0.869 1.00 0.00 C ATOM 1907 OD1 ASP A 125 -19.920 -1.794 0.409 1.00 0.00 O ATOM 1908 OD2 ASP A 125 -20.336 -3.933 0.622 1.00 0.00 O ATOM 0 H ASP A 125 -16.524 -3.257 3.235 1.00 0.00 H new ATOM 0 HA ASP A 125 -17.277 -1.269 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -17.788 -3.871 1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -18.840 -3.504 2.765 1.00 0.00 H new ATOM 1913 N ILE A 126 -18.902 0.121 2.328 1.00 0.00 N ATOM 1914 CA ILE A 126 -19.767 1.067 2.961 1.00 0.00 C ATOM 1915 C ILE A 126 -21.177 0.724 2.620 1.00 0.00 C ATOM 1916 O ILE A 126 -22.049 0.786 3.485 1.00 0.00 O ATOM 1917 CB ILE A 126 -19.452 2.493 2.618 1.00 0.00 C ATOM 1918 CG1 ILE A 126 -17.975 2.821 2.893 1.00 0.00 C ATOM 1919 CG2 ILE A 126 -20.316 3.444 3.462 1.00 0.00 C ATOM 1920 CD1 ILE A 126 -17.530 4.140 2.264 1.00 0.00 C ATOM 0 H ILE A 126 -18.654 0.353 1.366 1.00 0.00 H new ATOM 0 HA ILE A 126 -19.611 0.997 4.037 1.00 0.00 H new ATOM 0 HB ILE A 126 -19.661 2.625 1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -17.813 2.865 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -17.352 2.013 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -20.079 4.476 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -21.370 3.253 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -20.113 3.278 4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -16.479 4.316 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -17.662 4.091 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -18.131 4.956 2.666 1.00 0.00 H new ATOM 1932 N ASP A 127 -21.439 0.258 1.386 1.00 0.00 N ATOM 1933 CA ASP A 127 -22.719 -0.003 0.804 1.00 0.00 C ATOM 1934 C ASP A 127 -23.470 -1.063 1.533 1.00 0.00 C ATOM 1935 O ASP A 127 -24.522 -0.806 2.116 1.00 0.00 O ATOM 1936 CB ASP A 127 -22.531 -0.306 -0.692 1.00 0.00 C ATOM 1937 CG ASP A 127 -21.715 0.665 -1.534 1.00 0.00 C ATOM 1938 OD1 ASP A 127 -22.127 1.854 -1.472 1.00 0.00 O ATOM 1939 OD2 ASP A 127 -20.803 0.276 -2.310 1.00 0.00 O ATOM 0 H ASP A 127 -20.682 0.045 0.736 1.00 0.00 H new ATOM 0 HA ASP A 127 -23.346 0.884 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -22.066 -1.288 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -23.521 -0.383 -1.141 1.00 0.00 H new ATOM 1944 N GLY A 128 -22.871 -2.260 1.664 1.00 0.00 N ATOM 1945 CA GLY A 128 -23.416 -3.518 2.073 1.00 0.00 C ATOM 1946 C GLY A 128 -23.859 -4.326 0.902 1.00 0.00 C ATOM 1947 O GLY A 128 -24.870 -5.024 0.963 1.00 0.00 O ATOM 0 H GLY A 128 -21.877 -2.353 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -22.668 -4.074 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -24.260 -3.350 2.741 1.00 0.00 H new ATOM 1951 N ASP A 129 -23.081 -4.259 -0.193 1.00 0.00 N ATOM 1952 CA ASP A 129 -23.253 -4.997 -1.406 1.00 0.00 C ATOM 1953 C ASP A 129 -22.278 -6.114 -1.564 1.00 0.00 C ATOM 1954 O ASP A 129 -22.343 -6.992 -2.423 1.00 0.00 O ATOM 1955 CB ASP A 129 -23.304 -4.040 -2.608 1.00 0.00 C ATOM 1956 CG ASP A 129 -22.015 -3.359 -3.045 1.00 0.00 C ATOM 1957 OD1 ASP A 129 -21.052 -3.154 -2.259 1.00 0.00 O ATOM 1958 OD2 ASP A 129 -21.971 -2.862 -4.203 1.00 0.00 O ATOM 0 H ASP A 129 -22.270 -3.641 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 129 -24.217 -5.503 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -23.690 -4.598 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -24.031 -3.260 -2.381 1.00 0.00 H new ATOM 1963 N GLY A 130 -21.268 -6.181 -0.679 1.00 0.00 N ATOM 1964 CA GLY A 130 -20.314 -7.244 -0.624 1.00 0.00 C ATOM 1965 C GLY A 130 -19.117 -7.059 -1.493 1.00 0.00 C ATOM 1966 O GLY A 130 -18.305 -7.967 -1.669 1.00 0.00 O ATOM 0 H GLY A 130 -21.110 -5.464 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -19.981 -7.361 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -20.810 -8.173 -0.906 1.00 0.00 H new ATOM 1970 N GLN A 131 -19.082 -5.899 -2.171 1.00 0.00 N ATOM 1971 CA GLN A 131 -17.997 -5.572 -3.044 1.00 0.00 C ATOM 1972 C GLN A 131 -17.260 -4.354 -2.606 1.00 0.00 C ATOM 1973 O GLN A 131 -17.896 -3.467 -2.038 1.00 0.00 O ATOM 1974 CB GLN A 131 -18.556 -5.231 -4.436 1.00 0.00 C ATOM 1975 CG GLN A 131 -19.207 -6.395 -5.185 1.00 0.00 C ATOM 1976 CD GLN A 131 -19.951 -5.907 -6.420 1.00 0.00 C ATOM 1977 OE1 GLN A 131 -19.786 -6.519 -7.475 1.00 0.00 O ATOM 1978 NE2 GLN A 131 -20.787 -4.838 -6.334 1.00 0.00 N ATOM 0 H GLN A 131 -19.808 -5.184 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 131 -17.330 -6.434 -3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -19.292 -4.434 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -17.745 -4.836 -5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -18.443 -7.115 -5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -19.898 -6.916 -4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -20.903 -4.351 -5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -21.298 -4.523 -7.158 1.00 0.00 H new ATOM 1987 N VAL A 132 -15.971 -4.260 -2.979 1.00 0.00 N ATOM 1988 CA VAL A 132 -15.212 -3.093 -2.650 1.00 0.00 C ATOM 1989 C VAL A 132 -14.728 -2.444 -3.901 1.00 0.00 C ATOM 1990 O VAL A 132 -13.907 -3.021 -4.612 1.00 0.00 O ATOM 1991 CB VAL A 132 -14.072 -3.543 -1.785 1.00 0.00 C ATOM 1992 CG1 VAL A 132 -13.489 -2.267 -1.156 1.00 0.00 C ATOM 1993 CG2 VAL A 132 -14.428 -4.510 -0.643 1.00 0.00 C ATOM 0 H VAL A 132 -15.462 -4.976 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 132 -15.812 -2.356 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 132 -13.390 -4.102 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -12.650 -2.530 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -13.145 -1.597 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -14.258 -1.768 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -13.526 -4.765 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -15.144 -4.034 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -14.867 -5.417 -1.058 1.00 0.00 H new ATOM 2003 N ASN A 133 -15.190 -1.207 -4.153 1.00 0.00 N ATOM 2004 CA ASN A 133 -14.803 -0.521 -5.347 1.00 0.00 C ATOM 2005 C ASN A 133 -13.572 0.290 -5.132 1.00 0.00 C ATOM 2006 O ASN A 133 -13.024 0.320 -4.031 1.00 0.00 O ATOM 2007 CB ASN A 133 -16.016 0.252 -5.891 1.00 0.00 C ATOM 2008 CG ASN A 133 -16.368 1.474 -5.054 1.00 0.00 C ATOM 2009 OD1 ASN A 133 -15.557 2.303 -4.643 1.00 0.00 O ATOM 2010 ND2 ASN A 133 -17.683 1.640 -4.750 1.00 0.00 N ATOM 0 H ASN A 133 -15.821 -0.688 -3.542 1.00 0.00 H new ATOM 0 HA ASN A 133 -14.513 -1.227 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -15.810 0.567 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -16.877 -0.415 -5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -17.980 2.440 -4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -18.372 0.965 -5.081 1.00 0.00 H new ATOM 2017 N TYR A 134 -12.995 0.978 -6.133 1.00 0.00 N ATOM 2018 CA TYR A 134 -11.781 1.706 -5.926 1.00 0.00 C ATOM 2019 C TYR A 134 -11.814 2.886 -5.017 1.00 0.00 C ATOM 2020 O TYR A 134 -10.835 3.081 -4.299 1.00 0.00 O ATOM 2021 CB TYR A 134 -11.140 1.987 -7.296 1.00 0.00 C ATOM 2022 CG TYR A 134 -9.775 2.582 -7.254 1.00 0.00 C ATOM 2023 CD1 TYR A 134 -9.567 3.915 -6.989 1.00 0.00 C ATOM 2024 CD2 TYR A 134 -8.685 1.823 -7.608 1.00 0.00 C ATOM 2025 CE1 TYR A 134 -8.356 4.518 -7.237 1.00 0.00 C ATOM 2026 CE2 TYR A 134 -7.474 2.443 -7.806 1.00 0.00 C ATOM 2027 CZ TYR A 134 -7.253 3.786 -7.607 1.00 0.00 C ATOM 2028 OH TYR A 134 -5.992 4.409 -7.721 1.00 0.00 O ATOM 0 H TYR A 134 -13.366 1.031 -7.082 1.00 0.00 H new ATOM 0 HA TYR A 134 -11.144 1.053 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -11.093 1.052 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -11.793 2.659 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -10.374 4.503 -6.576 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -8.779 0.754 -7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -8.270 5.590 -7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -6.644 1.837 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 134 -5.291 3.725 -7.753 1.00 0.00 H new ATOM 2038 N GLU A 135 -12.972 3.558 -4.891 1.00 0.00 N ATOM 2039 CA GLU A 135 -13.164 4.651 -3.988 1.00 0.00 C ATOM 2040 C GLU A 135 -13.138 4.165 -2.580 1.00 0.00 C ATOM 2041 O GLU A 135 -12.416 4.652 -1.711 1.00 0.00 O ATOM 2042 CB GLU A 135 -14.470 5.381 -4.341 1.00 0.00 C ATOM 2043 CG GLU A 135 -14.471 6.050 -5.717 1.00 0.00 C ATOM 2044 CD GLU A 135 -13.232 6.886 -6.004 1.00 0.00 C ATOM 2045 OE1 GLU A 135 -12.825 7.844 -5.296 1.00 0.00 O ATOM 2046 OE2 GLU A 135 -12.637 6.618 -7.082 1.00 0.00 O ATOM 0 H GLU A 135 -13.804 3.333 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 135 -12.350 5.369 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -15.293 4.668 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -14.664 6.139 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -14.562 5.280 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -15.352 6.686 -5.799 1.00 0.00 H new ATOM 2053 N GLU A 136 -13.972 3.148 -2.300 1.00 0.00 N ATOM 2054 CA GLU A 136 -13.971 2.448 -1.053 1.00 0.00 C ATOM 2055 C GLU A 136 -12.679 1.929 -0.523 1.00 0.00 C ATOM 2056 O GLU A 136 -12.351 2.042 0.657 1.00 0.00 O ATOM 2057 CB GLU A 136 -14.949 1.262 -0.995 1.00 0.00 C ATOM 2058 CG GLU A 136 -16.428 1.641 -1.100 1.00 0.00 C ATOM 2059 CD GLU A 136 -17.319 0.422 -1.294 1.00 0.00 C ATOM 2060 OE1 GLU A 136 -17.102 -0.485 -2.141 1.00 0.00 O ATOM 2061 OE2 GLU A 136 -18.333 0.329 -0.552 1.00 0.00 O ATOM 0 H GLU A 136 -14.668 2.802 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 136 -14.276 3.281 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -14.708 0.571 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -14.792 0.726 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -16.731 2.171 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -16.567 2.328 -1.935 1.00 0.00 H new ATOM 2068 N PHE A 137 -11.911 1.281 -1.418 1.00 0.00 N ATOM 2069 CA PHE A 137 -10.552 0.867 -1.256 1.00 0.00 C ATOM 2070 C PHE A 137 -9.585 1.955 -0.938 1.00 0.00 C ATOM 2071 O PHE A 137 -8.816 1.753 0.000 1.00 0.00 O ATOM 2072 CB PHE A 137 -10.134 0.053 -2.492 1.00 0.00 C ATOM 2073 CG PHE A 137 -8.934 -0.794 -2.240 1.00 0.00 C ATOM 2074 CD1 PHE A 137 -9.101 -2.029 -1.660 1.00 0.00 C ATOM 2075 CD2 PHE A 137 -7.692 -0.289 -2.543 1.00 0.00 C ATOM 2076 CE1 PHE A 137 -8.030 -2.833 -1.348 1.00 0.00 C ATOM 2077 CE2 PHE A 137 -6.605 -1.108 -2.346 1.00 0.00 C ATOM 2078 CZ PHE A 137 -6.824 -2.349 -1.797 1.00 0.00 C ATOM 0 H PHE A 137 -12.276 1.025 -2.336 1.00 0.00 H new ATOM 0 HA PHE A 137 -10.514 0.244 -0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 137 -10.964 -0.582 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 137 -9.927 0.733 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -10.100 -2.377 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 137 -7.574 0.715 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -8.127 -3.759 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -5.610 -0.786 -2.614 1.00 0.00 H new ATOM 0 HZ PHE A 137 -5.970 -3.004 -1.710 1.00 0.00 H new ATOM 2088 N VAL A 138 -9.733 3.166 -1.505 1.00 0.00 N ATOM 2089 CA VAL A 138 -8.874 4.261 -1.176 1.00 0.00 C ATOM 2090 C VAL A 138 -9.225 4.867 0.139 1.00 0.00 C ATOM 2091 O VAL A 138 -8.299 5.175 0.888 1.00 0.00 O ATOM 2092 CB VAL A 138 -8.833 5.259 -2.295 1.00 0.00 C ATOM 2093 CG1 VAL A 138 -8.193 6.589 -1.861 1.00 0.00 C ATOM 2094 CG2 VAL A 138 -7.929 4.763 -3.436 1.00 0.00 C ATOM 0 H VAL A 138 -10.451 3.387 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 138 -7.861 3.877 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 138 -9.871 5.390 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -8.185 7.281 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -8.770 7.020 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -7.170 6.409 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -7.914 5.503 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -6.917 4.615 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -8.314 3.819 -3.821 1.00 0.00 H new ATOM 2104 N GLN A 139 -10.512 5.006 0.504 1.00 0.00 N ATOM 2105 CA GLN A 139 -10.911 5.619 1.732 1.00 0.00 C ATOM 2106 C GLN A 139 -10.490 4.789 2.896 1.00 0.00 C ATOM 2107 O GLN A 139 -10.184 5.403 3.917 1.00 0.00 O ATOM 2108 CB GLN A 139 -12.436 5.819 1.729 1.00 0.00 C ATOM 2109 CG GLN A 139 -12.840 7.090 0.980 1.00 0.00 C ATOM 2110 CD GLN A 139 -14.312 7.198 0.610 1.00 0.00 C ATOM 2111 OE1 GLN A 139 -15.084 7.994 1.142 1.00 0.00 O ATOM 2112 NE2 GLN A 139 -14.729 6.253 -0.275 1.00 0.00 N ATOM 0 H GLN A 139 -11.293 4.685 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 139 -10.423 6.590 1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -12.915 4.956 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -12.798 5.871 2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -12.574 7.951 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -12.249 7.155 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -14.054 5.612 -0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -15.717 6.185 -0.521 1.00 0.00 H new ATOM 2121 N MET A 140 -10.595 3.454 2.770 1.00 0.00 N ATOM 2122 CA MET A 140 -10.240 2.450 3.724 1.00 0.00 C ATOM 2123 C MET A 140 -8.839 2.570 4.217 1.00 0.00 C ATOM 2124 O MET A 140 -8.580 2.622 5.418 1.00 0.00 O ATOM 2125 CB MET A 140 -10.366 1.141 2.926 1.00 0.00 C ATOM 2126 CG MET A 140 -10.065 -0.095 3.775 1.00 0.00 C ATOM 2127 SD MET A 140 -10.676 -1.674 3.113 1.00 0.00 S ATOM 2128 CE MET A 140 -9.387 -1.721 1.834 1.00 0.00 C ATOM 0 H MET A 140 -10.965 3.040 1.915 1.00 0.00 H new ATOM 0 HA MET A 140 -10.872 2.521 4.610 1.00 0.00 H new ATOM 0 HB2 MET A 140 -11.375 1.062 2.521 1.00 0.00 H new ATOM 0 HB3 MET A 140 -9.683 1.170 2.077 1.00 0.00 H new ATOM 0 HG2 MET A 140 -8.985 -0.170 3.905 1.00 0.00 H new ATOM 0 HG3 MET A 140 -10.495 0.054 4.765 1.00 0.00 H new ATOM 0 HE1 MET A 140 -9.504 -2.623 1.233 1.00 0.00 H new ATOM 0 HE2 MET A 140 -9.477 -0.843 1.194 1.00 0.00 H new ATOM 0 HE3 MET A 140 -8.405 -1.725 2.307 1.00 0.00 H new ATOM 2138 N MET A 141 -7.842 2.591 3.315 1.00 0.00 N ATOM 2139 CA MET A 141 -6.474 2.583 3.733 1.00 0.00 C ATOM 2140 C MET A 141 -5.875 3.898 4.093 1.00 0.00 C ATOM 2141 O MET A 141 -4.785 3.861 4.663 1.00 0.00 O ATOM 2142 CB MET A 141 -5.675 2.258 2.459 1.00 0.00 C ATOM 2143 CG MET A 141 -5.951 0.852 1.923 1.00 0.00 C ATOM 2144 SD MET A 141 -4.881 0.526 0.490 1.00 0.00 S ATOM 2145 CE MET A 141 -5.362 1.707 -0.802 1.00 0.00 C ATOM 0 H MET A 141 -7.980 2.613 2.305 1.00 0.00 H new ATOM 0 HA MET A 141 -6.440 1.918 4.596 1.00 0.00 H new ATOM 0 HB2 MET A 141 -5.918 2.989 1.688 1.00 0.00 H new ATOM 0 HB3 MET A 141 -4.610 2.358 2.669 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.768 0.112 2.702 1.00 0.00 H new ATOM 0 HG3 MET A 141 -6.999 0.760 1.636 1.00 0.00 H new ATOM 0 HE1 MET A 141 -5.086 1.310 -1.779 1.00 0.00 H new ATOM 0 HE2 MET A 141 -6.440 1.866 -0.766 1.00 0.00 H new ATOM 0 HE3 MET A 141 -4.849 2.655 -0.638 1.00 0.00 H new ATOM 2155 N THR A 142 -6.519 5.070 3.945 1.00 0.00 N ATOM 2156 CA THR A 142 -6.082 6.275 4.577 1.00 0.00 C ATOM 2157 C THR A 142 -6.548 6.300 6.025 1.00 0.00 C ATOM 2158 O THR A 142 -5.631 6.347 6.887 1.00 0.00 O ATOM 2159 CB THR A 142 -6.637 7.486 3.885 1.00 0.00 C ATOM 2160 OG1 THR A 142 -7.991 7.218 3.555 1.00 0.00 O ATOM 2161 CG2 THR A 142 -5.892 7.747 2.565 1.00 0.00 C ATOM 0 H THR A 142 -7.358 5.182 3.376 1.00 0.00 H new ATOM 0 HA THR A 142 -4.994 6.297 4.523 1.00 0.00 H new ATOM 0 HB THR A 142 -6.533 8.349 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 142 -8.378 7.996 3.102 1.00 0.00 H new ATOM 0 HG21 THR A 142 -6.310 8.629 2.080 1.00 0.00 H new ATOM 0 HG22 THR A 142 -4.835 7.913 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 142 -6.003 6.884 1.908 1.00 0.00 H new TER 2169 THR A 142 ATOM 2170 N ARG B 1 -9.613 -2.043 11.208 1.00 0.00 N ATOM 2171 CA ARG B 1 -8.821 -3.047 11.952 1.00 0.00 C ATOM 2172 C ARG B 1 -7.537 -3.359 11.262 1.00 0.00 C ATOM 2173 O ARG B 1 -7.264 -3.007 10.116 1.00 0.00 O ATOM 2174 CB ARG B 1 -9.660 -4.308 12.220 1.00 0.00 C ATOM 2175 CG ARG B 1 -10.787 -4.232 13.252 1.00 0.00 C ATOM 2176 CD ARG B 1 -11.651 -5.491 13.159 1.00 0.00 C ATOM 2177 NE ARG B 1 -12.866 -5.235 13.983 1.00 0.00 N ATOM 2178 CZ ARG B 1 -14.033 -4.943 13.338 1.00 0.00 C ATOM 2179 NH1 ARG B 1 -14.189 -4.856 11.985 1.00 0.00 N ATOM 2180 NH2 ARG B 1 -15.149 -4.750 14.100 1.00 0.00 N ATOM 0 H1 ARG B 1 -10.439 -1.764 11.774 1.00 0.00 H new ATOM 0 H2 ARG B 1 -9.024 -1.207 11.019 1.00 0.00 H new ATOM 0 H3 ARG B 1 -9.933 -2.452 10.307 1.00 0.00 H new ATOM 0 HA ARG B 1 -8.553 -2.619 12.918 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -10.099 -4.621 11.273 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -8.978 -5.099 12.532 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -10.370 -4.138 14.255 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -11.397 -3.346 13.075 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -11.922 -5.700 12.124 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -11.109 -6.361 13.528 1.00 0.00 H new ATOM 0 HE ARG B 1 -12.827 -5.277 15.001 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -13.392 -5.015 11.368 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -15.102 -4.632 11.590 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -15.092 -4.826 15.116 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -16.039 -4.530 13.654 1.00 0.00 H new ATOM 2193 N ARG B 2 -6.679 -4.142 11.940 1.00 0.00 N ATOM 2194 CA ARG B 2 -5.346 -4.322 11.454 1.00 0.00 C ATOM 2195 C ARG B 2 -5.255 -5.087 10.179 1.00 0.00 C ATOM 2196 O ARG B 2 -4.477 -4.633 9.341 1.00 0.00 O ATOM 2197 CB ARG B 2 -4.427 -5.040 12.456 1.00 0.00 C ATOM 2198 CG ARG B 2 -3.002 -5.309 11.968 1.00 0.00 C ATOM 2199 CD ARG B 2 -2.006 -5.218 13.125 1.00 0.00 C ATOM 2200 NE ARG B 2 -1.571 -3.800 13.271 1.00 0.00 N ATOM 2201 CZ ARG B 2 -1.040 -3.408 14.465 1.00 0.00 C ATOM 2202 NH1 ARG B 2 -0.537 -4.311 15.357 1.00 0.00 N ATOM 2203 NH2 ARG B 2 -1.209 -2.089 14.773 1.00 0.00 N ATOM 0 H ARG B 2 -6.899 -4.639 12.803 1.00 0.00 H new ATOM 0 HA ARG B 2 -5.018 -3.295 11.291 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -4.374 -4.442 13.366 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -4.886 -5.991 12.726 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -2.949 -6.298 11.513 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.735 -4.588 11.195 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -2.467 -5.569 14.048 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.146 -5.859 12.934 1.00 0.00 H new ATOM 0 HE ARG B 2 -1.668 -3.140 12.499 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -0.552 -5.307 15.138 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -0.146 -3.990 16.242 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -1.704 -1.474 14.127 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -0.840 -1.719 15.649 1.00 0.00 H new ATOM 2217 N LYS B 3 -6.055 -6.147 9.960 1.00 0.00 N ATOM 2218 CA LYS B 3 -6.098 -7.027 8.835 1.00 0.00 C ATOM 2219 C LYS B 3 -6.175 -6.407 7.482 1.00 0.00 C ATOM 2220 O LYS B 3 -5.467 -6.804 6.558 1.00 0.00 O ATOM 2221 CB LYS B 3 -7.182 -8.081 9.119 1.00 0.00 C ATOM 2222 CG LYS B 3 -7.152 -8.735 10.502 1.00 0.00 C ATOM 2223 CD LYS B 3 -7.991 -10.013 10.573 1.00 0.00 C ATOM 2224 CE LYS B 3 -8.046 -10.883 11.830 1.00 0.00 C ATOM 2225 NZ LYS B 3 -9.208 -11.797 11.766 1.00 0.00 N ATOM 0 H LYS B 3 -6.751 -6.414 10.656 1.00 0.00 H new ATOM 0 HA LYS B 3 -5.117 -7.495 8.749 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -8.157 -7.613 8.984 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -7.099 -8.867 8.368 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -6.120 -8.968 10.766 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -7.518 -8.024 11.243 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -9.018 -9.727 10.345 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -7.651 -10.656 9.761 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.125 -11.459 11.924 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -8.118 -10.252 12.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -9.759 -11.721 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -9.809 -11.538 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -8.874 -12.775 11.650 1.00 0.00 H new ATOM 2239 N TRP B 4 -6.967 -5.329 7.339 1.00 0.00 N ATOM 2240 CA TRP B 4 -7.043 -4.497 6.179 1.00 0.00 C ATOM 2241 C TRP B 4 -5.920 -3.528 6.034 1.00 0.00 C ATOM 2242 O TRP B 4 -5.378 -3.486 4.931 1.00 0.00 O ATOM 2243 CB TRP B 4 -8.368 -3.728 6.039 1.00 0.00 C ATOM 2244 CG TRP B 4 -9.359 -4.512 5.213 1.00 0.00 C ATOM 2245 CD1 TRP B 4 -10.622 -4.966 5.463 1.00 0.00 C ATOM 2246 CD2 TRP B 4 -9.143 -4.806 3.820 1.00 0.00 C ATOM 2247 NE1 TRP B 4 -11.218 -5.450 4.328 1.00 0.00 N ATOM 2248 CE2 TRP B 4 -10.302 -5.399 3.304 1.00 0.00 C ATOM 2249 CE3 TRP B 4 -8.050 -4.694 3.005 1.00 0.00 C ATOM 2250 CZ2 TRP B 4 -10.368 -5.904 2.035 1.00 0.00 C ATOM 2251 CZ3 TRP B 4 -8.139 -5.139 1.707 1.00 0.00 C ATOM 2252 CH2 TRP B 4 -9.285 -5.712 1.209 1.00 0.00 C ATOM 0 H TRP B 4 -7.594 -5.020 8.082 1.00 0.00 H new ATOM 0 HA TRP B 4 -6.973 -5.230 5.375 1.00 0.00 H new ATOM 0 HB2 TRP B 4 -8.786 -3.532 7.026 1.00 0.00 H new ATOM 0 HB3 TRP B 4 -8.184 -2.760 5.573 1.00 0.00 H new ATOM 0 HD1 TRP B 4 -11.093 -4.946 6.435 1.00 0.00 H new ATOM 0 HE1 TRP B 4 -12.177 -5.790 4.255 1.00 0.00 H new ATOM 0 HE3 TRP B 4 -7.132 -4.263 3.375 1.00 0.00 H new ATOM 0 HZ2 TRP B 4 -11.243 -6.437 1.692 1.00 0.00 H new ATOM 0 HZ3 TRP B 4 -7.282 -5.035 1.058 1.00 0.00 H new ATOM 0 HH2 TRP B 4 -9.335 -6.011 0.172 1.00 0.00 H new ATOM 2263 N GLN B 5 -5.446 -2.881 7.114 1.00 0.00 N ATOM 2264 CA GLN B 5 -4.330 -1.988 7.064 1.00 0.00 C ATOM 2265 C GLN B 5 -3.095 -2.707 6.644 1.00 0.00 C ATOM 2266 O GLN B 5 -2.286 -2.145 5.908 1.00 0.00 O ATOM 2267 CB GLN B 5 -4.228 -1.231 8.399 1.00 0.00 C ATOM 2268 CG GLN B 5 -5.471 -0.389 8.690 1.00 0.00 C ATOM 2269 CD GLN B 5 -5.860 0.400 7.448 1.00 0.00 C ATOM 2270 OE1 GLN B 5 -5.144 1.285 6.982 1.00 0.00 O ATOM 2271 NE2 GLN B 5 -7.131 0.308 6.972 1.00 0.00 N ATOM 0 H GLN B 5 -5.849 -2.981 8.046 1.00 0.00 H new ATOM 0 HA GLN B 5 -4.472 -1.228 6.296 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -4.080 -1.946 9.208 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -3.351 -0.584 8.380 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -6.295 -1.034 8.996 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -5.275 0.292 9.518 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -7.759 -0.411 7.331 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -7.456 0.958 6.257 1.00 0.00 H new ATOM 2280 N LYS B 6 -2.905 -3.938 7.153 1.00 0.00 N ATOM 2281 CA LYS B 6 -1.831 -4.831 6.847 1.00 0.00 C ATOM 2282 C LYS B 6 -1.792 -5.163 5.394 1.00 0.00 C ATOM 2283 O LYS B 6 -0.796 -4.914 4.717 1.00 0.00 O ATOM 2284 CB LYS B 6 -1.891 -6.129 7.669 1.00 0.00 C ATOM 2285 CG LYS B 6 -0.782 -7.168 7.489 1.00 0.00 C ATOM 2286 CD LYS B 6 -1.425 -8.549 7.629 1.00 0.00 C ATOM 2287 CE LYS B 6 -0.357 -9.641 7.554 1.00 0.00 C ATOM 2288 NZ LYS B 6 -0.864 -11.015 7.771 1.00 0.00 N ATOM 0 H LYS B 6 -3.554 -4.338 7.831 1.00 0.00 H new ATOM 0 HA LYS B 6 -0.917 -4.302 7.117 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -1.915 -5.851 8.723 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.840 -6.617 7.446 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.310 -7.061 6.512 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.001 -7.030 8.237 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.957 -8.616 8.578 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -2.162 -8.696 6.839 1.00 0.00 H new ATOM 0 HE2 LYS B 6 0.123 -9.595 6.576 1.00 0.00 H new ATOM 0 HE3 LYS B 6 0.412 -9.430 8.297 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -0.239 -11.695 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -0.885 -11.220 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -1.825 -11.096 7.382 1.00 0.00 H new ATOM 2302 N THR B 7 -2.984 -5.601 4.951 1.00 0.00 N ATOM 2303 CA THR B 7 -3.217 -6.027 3.606 1.00 0.00 C ATOM 2304 C THR B 7 -2.878 -4.942 2.643 1.00 0.00 C ATOM 2305 O THR B 7 -2.195 -5.032 1.624 1.00 0.00 O ATOM 2306 CB THR B 7 -4.578 -6.567 3.279 1.00 0.00 C ATOM 2307 OG1 THR B 7 -4.656 -7.778 4.017 1.00 0.00 O ATOM 2308 CG2 THR B 7 -4.627 -7.067 1.826 1.00 0.00 C ATOM 0 H THR B 7 -3.810 -5.661 5.546 1.00 0.00 H new ATOM 0 HA THR B 7 -2.552 -6.885 3.508 1.00 0.00 H new ATOM 0 HB THR B 7 -5.338 -5.809 3.471 1.00 0.00 H new ATOM 0 HG1 THR B 7 -4.931 -7.583 4.937 1.00 0.00 H new ATOM 0 HG21 THR B 7 -5.622 -7.455 1.608 1.00 0.00 H new ATOM 0 HG22 THR B 7 -4.403 -6.242 1.150 1.00 0.00 H new ATOM 0 HG23 THR B 7 -3.891 -7.859 1.689 1.00 0.00 H new ATOM 2316 N GLY B 8 -3.314 -3.739 3.058 1.00 0.00 N ATOM 2317 CA GLY B 8 -3.306 -2.531 2.292 1.00 0.00 C ATOM 2318 C GLY B 8 -1.917 -1.998 2.215 1.00 0.00 C ATOM 2319 O GLY B 8 -1.592 -1.340 1.227 1.00 0.00 O ATOM 0 H GLY B 8 -3.698 -3.602 3.993 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.689 -2.721 1.290 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.965 -1.793 2.750 1.00 0.00 H new ATOM 2323 N HIS B 9 -1.126 -2.310 3.257 1.00 0.00 N ATOM 2324 CA HIS B 9 0.291 -2.118 3.250 1.00 0.00 C ATOM 2325 C HIS B 9 1.008 -3.064 2.350 1.00 0.00 C ATOM 2326 O HIS B 9 1.667 -2.658 1.394 1.00 0.00 O ATOM 2327 CB HIS B 9 0.982 -1.975 4.616 1.00 0.00 C ATOM 2328 CG HIS B 9 0.429 -0.895 5.498 1.00 0.00 C ATOM 2329 ND1 HIS B 9 0.229 0.411 5.100 1.00 0.00 N ATOM 2330 CD2 HIS B 9 0.233 -0.889 6.844 1.00 0.00 C ATOM 2331 CE1 HIS B 9 -0.145 1.094 6.215 1.00 0.00 C ATOM 2332 NE2 HIS B 9 -0.117 0.361 7.312 1.00 0.00 N ATOM 0 H HIS B 9 -1.481 -2.706 4.127 1.00 0.00 H new ATOM 0 HA HIS B 9 0.380 -1.119 2.823 1.00 0.00 H new ATOM 0 HB2 HIS B 9 0.910 -2.926 5.144 1.00 0.00 H new ATOM 0 HB3 HIS B 9 2.042 -1.781 4.451 1.00 0.00 H new ATOM 0 HD2 HIS B 9 0.339 -1.761 7.473 1.00 0.00 H new ATOM 0 HE1 HIS B 9 -0.436 2.134 6.204 1.00 0.00 H new ATOM 0 HE2 HIS B 9 -0.308 0.648 8.272 1.00 0.00 H new ATOM 2340 N ALA B 10 0.837 -4.386 2.531 1.00 0.00 N ATOM 2341 CA ALA B 10 1.346 -5.486 1.772 1.00 0.00 C ATOM 2342 C ALA B 10 1.227 -5.187 0.317 1.00 0.00 C ATOM 2343 O ALA B 10 2.118 -5.328 -0.520 1.00 0.00 O ATOM 2344 CB ALA B 10 0.539 -6.697 2.267 1.00 0.00 C ATOM 0 H ALA B 10 0.269 -4.721 3.309 1.00 0.00 H new ATOM 0 HA ALA B 10 2.408 -5.687 1.909 1.00 0.00 H new ATOM 0 HB1 ALA B 10 0.864 -7.592 1.736 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.702 -6.830 3.337 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.521 -6.529 2.080 1.00 0.00 H new ATOM 2350 N VAL B 11 0.040 -4.768 -0.156 1.00 0.00 N ATOM 2351 CA VAL B 11 -0.256 -4.605 -1.545 1.00 0.00 C ATOM 2352 C VAL B 11 0.235 -3.352 -2.184 1.00 0.00 C ATOM 2353 O VAL B 11 0.609 -3.355 -3.356 1.00 0.00 O ATOM 2354 CB VAL B 11 -1.688 -4.977 -1.795 1.00 0.00 C ATOM 2355 CG1 VAL B 11 -2.579 -3.810 -1.337 1.00 0.00 C ATOM 2356 CG2 VAL B 11 -1.897 -5.317 -3.280 1.00 0.00 C ATOM 0 H VAL B 11 -0.744 -4.534 0.453 1.00 0.00 H new ATOM 0 HA VAL B 11 0.360 -5.312 -2.100 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.959 -5.867 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.625 -4.061 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.421 -3.627 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.323 -2.913 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.940 -5.585 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.642 -4.451 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.258 -6.156 -3.555 1.00 0.00 H new ATOM 2366 N ARG B 12 0.312 -2.274 -1.384 1.00 0.00 N ATOM 2367 CA ARG B 12 0.844 -1.026 -1.836 1.00 0.00 C ATOM 2368 C ARG B 12 2.300 -1.229 -2.074 1.00 0.00 C ATOM 2369 O ARG B 12 2.899 -0.644 -2.976 1.00 0.00 O ATOM 2370 CB ARG B 12 0.522 0.085 -0.822 1.00 0.00 C ATOM 2371 CG ARG B 12 1.078 1.483 -1.098 1.00 0.00 C ATOM 2372 CD ARG B 12 0.643 2.580 -0.124 1.00 0.00 C ATOM 2373 NE ARG B 12 1.236 3.891 -0.509 1.00 0.00 N ATOM 2374 CZ ARG B 12 2.366 4.361 0.097 1.00 0.00 C ATOM 2375 NH1 ARG B 12 2.505 4.427 1.453 1.00 0.00 N ATOM 2376 NH2 ARG B 12 3.323 4.899 -0.714 1.00 0.00 N ATOM 0 H ARG B 12 0.002 -2.268 -0.412 1.00 0.00 H new ATOM 0 HA ARG B 12 0.390 -0.697 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -0.562 0.165 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG B 12 0.888 -0.235 0.154 1.00 0.00 H new ATOM 0 HG2 ARG B 12 2.167 1.428 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG B 12 0.781 1.779 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -0.444 2.655 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG B 12 0.952 2.318 0.888 1.00 0.00 H new ATOM 0 HE ARG B 12 0.790 4.448 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG B 12 1.745 4.117 2.059 1.00 0.00 H new ATOM 0 HH12 ARG B 12 3.369 4.786 1.860 1.00 0.00 H new ATOM 0 HH21 ARG B 12 3.175 4.936 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG B 12 4.186 5.264 -0.311 1.00 0.00 H new ATOM 2390 N ALA B 13 2.949 -2.172 -1.367 1.00 0.00 N ATOM 2391 CA ALA B 13 4.307 -2.512 -1.656 1.00 0.00 C ATOM 2392 C ALA B 13 4.436 -3.231 -2.955 1.00 0.00 C ATOM 2393 O ALA B 13 5.380 -3.005 -3.711 1.00 0.00 O ATOM 2394 CB ALA B 13 5.026 -3.305 -0.551 1.00 0.00 C ATOM 0 H ALA B 13 2.534 -2.697 -0.597 1.00 0.00 H new ATOM 0 HA ALA B 13 4.810 -1.547 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA B 13 6.049 -3.516 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA B 13 5.039 -2.719 0.368 1.00 0.00 H new ATOM 0 HB3 ALA B 13 4.500 -4.243 -0.375 1.00 0.00 H new ATOM 2400 N ILE B 14 3.444 -4.069 -3.305 1.00 0.00 N ATOM 2401 CA ILE B 14 3.390 -4.770 -4.550 1.00 0.00 C ATOM 2402 C ILE B 14 3.236 -3.868 -5.726 1.00 0.00 C ATOM 2403 O ILE B 14 3.805 -4.060 -6.799 1.00 0.00 O ATOM 2404 CB ILE B 14 2.358 -5.856 -4.620 1.00 0.00 C ATOM 2405 CG1 ILE B 14 2.522 -6.795 -3.413 1.00 0.00 C ATOM 2406 CG2 ILE B 14 2.512 -6.617 -5.947 1.00 0.00 C ATOM 2407 CD1 ILE B 14 1.398 -7.820 -3.273 1.00 0.00 C ATOM 0 H ILE B 14 2.649 -4.266 -2.697 1.00 0.00 H new ATOM 0 HA ILE B 14 4.367 -5.252 -4.595 1.00 0.00 H new ATOM 0 HB ILE B 14 1.356 -5.429 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.472 -7.321 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE B 14 2.571 -6.197 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE B 14 1.764 -7.408 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.374 -5.928 -6.780 1.00 0.00 H new ATOM 0 HG23 ILE B 14 3.508 -7.056 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE B 14 1.583 -8.446 -2.400 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.446 -7.302 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE B 14 1.362 -8.444 -4.166 1.00 0.00 H new ATOM 2419 N GLY B 15 2.592 -2.717 -5.463 1.00 0.00 N ATOM 2420 CA GLY B 15 2.353 -1.637 -6.369 1.00 0.00 C ATOM 2421 C GLY B 15 3.533 -0.758 -6.609 1.00 0.00 C ATOM 2422 O GLY B 15 3.770 -0.241 -7.699 1.00 0.00 O ATOM 0 H GLY B 15 2.207 -2.528 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY B 15 2.021 -2.047 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY B 15 1.536 -1.029 -5.982 1.00 0.00 H new ATOM 2426 N ARG B 16 4.353 -0.606 -5.554 1.00 0.00 N ATOM 2427 CA ARG B 16 5.431 0.321 -5.400 1.00 0.00 C ATOM 2428 C ARG B 16 6.603 -0.311 -6.068 1.00 0.00 C ATOM 2429 O ARG B 16 7.412 0.319 -6.748 1.00 0.00 O ATOM 2430 CB ARG B 16 5.648 0.567 -3.898 1.00 0.00 C ATOM 2431 CG ARG B 16 6.606 1.730 -3.631 1.00 0.00 C ATOM 2432 CD ARG B 16 5.904 3.079 -3.800 1.00 0.00 C ATOM 2433 NE ARG B 16 6.953 4.132 -3.902 1.00 0.00 N ATOM 2434 CZ ARG B 16 6.708 5.339 -4.491 1.00 0.00 C ATOM 2435 NH1 ARG B 16 5.444 5.852 -4.527 1.00 0.00 N ATOM 2436 NH2 ARG B 16 7.745 5.920 -5.162 1.00 0.00 N ATOM 0 H ARG B 16 4.248 -1.193 -4.727 1.00 0.00 H new ATOM 0 HA ARG B 16 5.245 1.296 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG B 16 4.689 0.774 -3.424 1.00 0.00 H new ATOM 0 HB3 ARG B 16 6.043 -0.339 -3.437 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.006 1.650 -2.620 1.00 0.00 H new ATOM 0 HG3 ARG B 16 7.453 1.670 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.280 3.075 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.247 3.276 -2.953 1.00 0.00 H new ATOM 0 HE ARG B 16 7.881 3.946 -3.521 1.00 0.00 H new ATOM 0 HH11 ARG B 16 4.671 5.333 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG B 16 5.272 6.755 -4.970 1.00 0.00 H new ATOM 0 HH21 ARG B 16 8.650 5.452 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG B 16 7.615 6.822 -5.620 1.00 0.00 H new ATOM 2450 N LEU B 17 6.715 -1.647 -5.961 1.00 0.00 N ATOM 2451 CA LEU B 17 7.824 -2.351 -6.525 1.00 0.00 C ATOM 2452 C LEU B 17 7.290 -3.116 -7.687 1.00 0.00 C ATOM 2453 O LEU B 17 7.066 -4.319 -7.805 1.00 0.00 O ATOM 2454 CB LEU B 17 8.146 -3.406 -5.453 1.00 0.00 C ATOM 2455 CG LEU B 17 8.811 -2.900 -4.163 1.00 0.00 C ATOM 2456 CD1 LEU B 17 9.274 -4.102 -3.323 1.00 0.00 C ATOM 2457 CD2 LEU B 17 10.051 -2.003 -4.315 1.00 0.00 C ATOM 0 H LEU B 17 6.037 -2.240 -5.483 1.00 0.00 H new ATOM 0 HA LEU B 17 8.661 -1.712 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.218 -3.910 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.798 -4.157 -5.900 1.00 0.00 H new ATOM 0 HG LEU B 17 8.030 -2.289 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.746 -3.746 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.414 -4.722 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.991 -4.691 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.418 -1.719 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.830 -2.547 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.785 -1.107 -4.875 1.00 0.00 H new ATOM 2469 N SER B 18 6.943 -2.313 -8.709 1.00 0.00 N ATOM 2470 CA SER B 18 6.374 -2.801 -9.926 1.00 0.00 C ATOM 2471 C SER B 18 7.361 -2.756 -11.041 1.00 0.00 C ATOM 2472 O SER B 18 7.642 -3.817 -11.595 1.00 0.00 O ATOM 2473 CB SER B 18 5.076 -2.040 -10.249 1.00 0.00 C ATOM 2474 OG SER B 18 4.554 -2.315 -11.540 1.00 0.00 O ATOM 0 H SER B 18 7.061 -1.300 -8.688 1.00 0.00 H new ATOM 0 HA SER B 18 6.111 -3.851 -9.796 1.00 0.00 H new ATOM 0 HB2 SER B 18 4.323 -2.292 -9.502 1.00 0.00 H new ATOM 0 HB3 SER B 18 5.263 -0.970 -10.164 1.00 0.00 H new ATOM 0 HG SER B 18 3.721 -1.815 -11.669 1.00 0.00 H new ATOM 2480 N SER B 19 7.907 -1.551 -11.286 1.00 0.00 N ATOM 2481 CA SER B 19 8.742 -1.239 -12.404 1.00 0.00 C ATOM 2482 C SER B 19 10.152 -1.724 -12.100 1.00 0.00 C ATOM 2483 O SER B 19 10.802 -1.154 -11.183 1.00 0.00 O ATOM 2484 CB SER B 19 8.866 0.243 -12.797 1.00 0.00 C ATOM 2485 OG SER B 19 7.557 0.651 -13.164 1.00 0.00 O ATOM 2486 OXT SER B 19 10.703 -2.567 -12.857 1.00 0.00 O ATOM 0 H SER B 19 7.757 -0.752 -10.670 1.00 0.00 H new ATOM 0 HA SER B 19 8.253 -1.732 -13.244 1.00 0.00 H new ATOM 0 HB2 SER B 19 9.244 0.839 -11.966 1.00 0.00 H new ATOM 0 HB3 SER B 19 9.563 0.372 -13.625 1.00 0.00 H new ATOM 0 HG SER B 19 7.570 1.595 -13.425 1.00 0.00 H new TER 2492 SER B 19 HETATM 2493 CA CA A 151 14.101 -13.826 5.226 1.00 0.00 CA HETATM 2494 CA CA A 152 19.184 -4.231 3.318 1.00 0.00 CA HETATM 2495 CA CA A 153 -13.545 -7.739 -9.998 1.00 0.00 CA HETATM 2496 CA CA A 154 -19.360 -1.548 -1.922 1.00 0.00 CA