USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 98 TYR OH : rot 122:sc= -5.63! USER MOD Set 1.2: A 100 MET CE :methyl -173:sc= -4.75 (180deg=-3.07) USER MOD Set 2.1: A 72 SER OG : rot 140:sc= 0.23 USER MOD Set 2.2: A 94 TYR OH : rot 132:sc= 1.47 USER MOD Set 3.1: A 38 ASN : amide:sc= -0.0671 X(o=-0.2,f=-0.44) USER MOD Set 3.2: A 61 ASN : amide:sc= -0.133 X(o=-0.2,f=-0.0011) USER MOD Set 4.1: A 42 TYR OH : rot -44:sc= -1.69! USER MOD Set 4.2: A 50 THR OG1 : rot -61:sc= -0.165 USER MOD Set 5.1: A 32 GLN : amide:sc= -4.41 K(o=-18,f=-19!) USER MOD Set 5.2: A 41 GLN : amide:sc= -13.5! C(o=-18!,f=-22!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.0235 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.2) USER MOD Single : A 8 SER OG : rot -89:sc= -3.4! USER MOD Single : A 13 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.6!) USER MOD Single : A 14 THR OG1 : rot 98:sc= 0.168 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -161:sc= -11.3! (180deg=-12.6!) USER MOD Single : A 22 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.17) USER MOD Single : A 43 ASN : amide:sc= -7.73! C(o=-7.7!,f=-15!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 95:sc= -1.92! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.52) USER MOD Single : A 89 ASN : amide:sc= -1.98 K(o=-2,f=-8.4!) USER MOD Single : A 90 THR OG1 : rot -140:sc= -0.138 USER MOD Single : A 91 MET CE :methyl -103:sc= -0.127 (180deg=-0.926) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.69! USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -162:sc= -0.0115 (180deg=-0.272) USER MOD Single : A 108 HIS : no HD1:sc= -1.95! C(o=-2!,f=-4!) USER MOD Single : A 109 MET CE :methyl -161:sc= -3.64 (180deg=-5.19!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 171:sc= -0.0322 USER MOD Single : A 117 SER OG : rot -78:sc= 1.36 USER MOD Single : A 118 TYR OH : rot 180:sc= -4.39! USER MOD Single : A 123 LYS NZ :NH3+ 154:sc= -0.0166 (180deg=-0.226) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.650 5.047 12.797 1.00 0.00 N ATOM 2 CA MET A 1 17.688 6.172 12.971 1.00 0.00 C ATOM 3 C MET A 1 16.365 5.824 12.285 1.00 0.00 C ATOM 4 O MET A 1 16.063 4.671 12.049 1.00 0.00 O ATOM 5 CB MET A 1 18.273 7.441 12.346 1.00 0.00 C ATOM 6 CG MET A 1 18.294 8.560 13.389 1.00 0.00 C ATOM 7 SD MET A 1 19.105 10.021 12.692 1.00 0.00 S ATOM 8 CE MET A 1 17.612 11.014 12.449 1.00 0.00 C ATOM 0 H1 MET A 1 19.296 5.014 13.611 1.00 0.00 H new ATOM 0 H2 MET A 1 18.127 4.150 12.733 1.00 0.00 H new ATOM 0 H3 MET A 1 19.198 5.191 11.925 1.00 0.00 H new ATOM 0 HA MET A 1 17.510 6.339 14.033 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.283 7.248 11.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.677 7.743 11.485 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.277 8.806 13.694 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.823 8.229 14.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.882 11.978 12.019 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.934 10.492 11.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.119 11.170 13.408 1.00 0.00 H new ATOM 20 N GLU A 2 15.572 6.810 11.966 1.00 0.00 N ATOM 21 CA GLU A 2 14.270 6.533 11.298 1.00 0.00 C ATOM 22 C GLU A 2 13.856 7.751 10.470 1.00 0.00 C ATOM 23 O GLU A 2 13.914 8.874 10.931 1.00 0.00 O ATOM 24 CB GLU A 2 13.202 6.249 12.359 1.00 0.00 C ATOM 25 CG GLU A 2 12.737 4.796 12.241 1.00 0.00 C ATOM 26 CD GLU A 2 11.244 4.708 12.565 1.00 0.00 C ATOM 27 OE1 GLU A 2 10.480 5.426 11.942 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.890 3.922 13.428 1.00 0.00 O ATOM 0 H GLU A 2 15.770 7.795 12.139 1.00 0.00 H new ATOM 0 HA GLU A 2 14.372 5.666 10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.606 6.433 13.355 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.356 6.924 12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.923 4.424 11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.306 4.165 12.924 1.00 0.00 H new ATOM 35 N HIS A 3 13.439 7.541 9.252 1.00 0.00 N ATOM 36 CA HIS A 3 13.022 8.689 8.400 1.00 0.00 C ATOM 37 C HIS A 3 12.261 8.170 7.179 1.00 0.00 C ATOM 38 O HIS A 3 12.421 8.663 6.080 1.00 0.00 O ATOM 39 CB HIS A 3 14.260 9.463 7.940 1.00 0.00 C ATOM 40 CG HIS A 3 15.266 8.508 7.355 1.00 0.00 C ATOM 41 ND1 HIS A 3 16.579 8.457 7.795 1.00 0.00 N ATOM 42 CD2 HIS A 3 15.166 7.567 6.362 1.00 0.00 C ATOM 43 CE1 HIS A 3 17.212 7.513 7.073 1.00 0.00 C ATOM 44 NE2 HIS A 3 16.396 6.940 6.184 1.00 0.00 N ATOM 0 H HIS A 3 13.369 6.624 8.810 1.00 0.00 H new ATOM 0 HA HIS A 3 12.375 9.351 8.976 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.979 10.210 7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.699 9.999 8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.269 7.346 5.803 1.00 0.00 H new ATOM 0 HE1 HIS A 3 18.252 7.251 7.197 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.625 6.202 5.518 1.00 0.00 H new ATOM 52 N VAL A 4 11.432 7.178 7.364 1.00 0.00 N ATOM 53 CA VAL A 4 10.659 6.629 6.214 1.00 0.00 C ATOM 54 C VAL A 4 9.535 5.720 6.747 1.00 0.00 C ATOM 55 O VAL A 4 9.227 5.728 7.922 1.00 0.00 O ATOM 56 CB VAL A 4 11.628 5.861 5.286 1.00 0.00 C ATOM 57 CG1 VAL A 4 11.817 4.410 5.756 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.079 5.870 3.856 1.00 0.00 C ATOM 0 H VAL A 4 11.257 6.725 8.261 1.00 0.00 H new ATOM 0 HA VAL A 4 10.196 7.430 5.638 1.00 0.00 H new ATOM 0 HB VAL A 4 12.598 6.358 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.504 3.896 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.227 4.405 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.855 3.898 5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.762 5.329 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.101 5.389 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.983 6.899 3.510 1.00 0.00 H new ATOM 68 N ALA A 5 8.923 4.940 5.894 1.00 0.00 N ATOM 69 CA ALA A 5 7.830 4.035 6.354 1.00 0.00 C ATOM 70 C ALA A 5 8.337 3.149 7.486 1.00 0.00 C ATOM 71 O ALA A 5 9.433 3.320 7.969 1.00 0.00 O ATOM 72 CB ALA A 5 7.405 3.133 5.197 1.00 0.00 C ATOM 0 H ALA A 5 9.134 4.891 4.897 1.00 0.00 H new ATOM 0 HA ALA A 5 6.990 4.638 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.606 2.469 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.048 3.746 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.257 2.539 4.867 1.00 0.00 H new ATOM 78 N PHE A 6 7.537 2.197 7.888 1.00 0.00 N ATOM 79 CA PHE A 6 7.943 1.249 8.983 1.00 0.00 C ATOM 80 C PHE A 6 9.316 0.655 8.663 1.00 0.00 C ATOM 81 O PHE A 6 9.417 -0.396 8.069 1.00 0.00 O ATOM 82 CB PHE A 6 6.930 0.090 9.112 1.00 0.00 C ATOM 83 CG PHE A 6 6.153 -0.110 7.825 1.00 0.00 C ATOM 84 CD1 PHE A 6 6.823 -0.327 6.611 1.00 0.00 C ATOM 85 CD2 PHE A 6 4.759 -0.066 7.847 1.00 0.00 C ATOM 86 CE1 PHE A 6 6.094 -0.500 5.437 1.00 0.00 C ATOM 87 CE2 PHE A 6 4.038 -0.243 6.665 1.00 0.00 C ATOM 88 CZ PHE A 6 4.704 -0.461 5.468 1.00 0.00 C ATOM 0 H PHE A 6 6.607 2.029 7.503 1.00 0.00 H new ATOM 0 HA PHE A 6 7.974 1.806 9.919 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.457 -0.829 9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.238 0.298 9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.902 -0.360 6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.238 0.105 8.778 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.608 -0.665 4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.959 -0.210 6.683 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.141 -0.601 4.557 1.00 0.00 H new ATOM 98 N GLY A 7 10.380 1.311 9.045 1.00 0.00 N ATOM 99 CA GLY A 7 11.738 0.772 8.743 1.00 0.00 C ATOM 100 C GLY A 7 11.824 0.364 7.265 1.00 0.00 C ATOM 101 O GLY A 7 12.610 -0.486 6.896 1.00 0.00 O ATOM 0 H GLY A 7 10.367 2.196 9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.495 1.524 8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.947 -0.088 9.379 1.00 0.00 H new ATOM 105 N SER A 8 11.016 0.951 6.415 1.00 0.00 N ATOM 106 CA SER A 8 11.065 0.573 4.974 1.00 0.00 C ATOM 107 C SER A 8 12.429 0.947 4.400 1.00 0.00 C ATOM 108 O SER A 8 13.227 1.605 5.039 1.00 0.00 O ATOM 109 CB SER A 8 9.967 1.291 4.186 1.00 0.00 C ATOM 110 OG SER A 8 8.699 0.858 4.661 1.00 0.00 O ATOM 0 H SER A 8 10.332 1.668 6.657 1.00 0.00 H new ATOM 0 HA SER A 8 10.906 -0.502 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.064 2.370 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.064 1.075 3.122 1.00 0.00 H new ATOM 0 HG SER A 8 8.414 0.066 4.158 1.00 0.00 H new ATOM 116 N GLU A 9 12.699 0.533 3.198 1.00 0.00 N ATOM 117 CA GLU A 9 14.006 0.855 2.565 1.00 0.00 C ATOM 118 C GLU A 9 13.833 2.087 1.676 1.00 0.00 C ATOM 119 O GLU A 9 14.079 2.043 0.487 1.00 0.00 O ATOM 120 CB GLU A 9 14.432 -0.339 1.708 1.00 0.00 C ATOM 121 CG GLU A 9 15.895 -0.686 1.992 1.00 0.00 C ATOM 122 CD GLU A 9 16.084 -2.204 1.926 1.00 0.00 C ATOM 123 OE1 GLU A 9 15.198 -2.912 2.375 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.113 -2.632 1.429 1.00 0.00 O ATOM 0 H GLU A 9 12.065 -0.020 2.621 1.00 0.00 H new ATOM 0 HA GLU A 9 14.762 1.057 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.797 -1.198 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.303 -0.104 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.543 -0.197 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.183 -0.316 2.976 1.00 0.00 H new ATOM 131 N ASP A 10 13.377 3.187 2.227 1.00 0.00 N ATOM 132 CA ASP A 10 13.158 4.394 1.375 1.00 0.00 C ATOM 133 C ASP A 10 12.238 3.970 0.229 1.00 0.00 C ATOM 134 O ASP A 10 12.691 3.611 -0.838 1.00 0.00 O ATOM 135 CB ASP A 10 14.495 4.886 0.817 1.00 0.00 C ATOM 136 CG ASP A 10 15.184 5.778 1.851 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.749 6.906 2.016 1.00 0.00 O ATOM 138 OD2 ASP A 10 16.136 5.318 2.462 1.00 0.00 O ATOM 0 H ASP A 10 13.150 3.299 3.215 1.00 0.00 H new ATOM 0 HA ASP A 10 12.713 5.205 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.133 4.037 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.333 5.441 -0.107 1.00 0.00 H new ATOM 143 N ILE A 11 10.956 3.954 0.460 1.00 0.00 N ATOM 144 CA ILE A 11 10.031 3.492 -0.593 1.00 0.00 C ATOM 145 C ILE A 11 9.755 4.589 -1.606 1.00 0.00 C ATOM 146 O ILE A 11 10.065 4.455 -2.759 1.00 0.00 O ATOM 147 CB ILE A 11 8.696 3.067 -0.005 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.793 2.640 1.464 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.174 1.904 -0.819 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.556 3.836 2.375 1.00 0.00 C ATOM 0 H ILE A 11 10.515 4.242 1.334 1.00 0.00 H new ATOM 0 HA ILE A 11 10.517 2.645 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 11 8.027 3.927 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.058 1.863 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.776 2.212 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.215 1.580 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.046 2.214 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.885 1.079 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.627 3.520 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.307 4.600 2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.563 4.245 2.187 1.00 0.00 H new ATOM 162 N GLU A 12 9.129 5.654 -1.196 1.00 0.00 N ATOM 163 CA GLU A 12 8.781 6.736 -2.164 1.00 0.00 C ATOM 164 C GLU A 12 9.940 7.008 -3.148 1.00 0.00 C ATOM 165 O GLU A 12 9.726 7.447 -4.260 1.00 0.00 O ATOM 166 CB GLU A 12 8.444 8.019 -1.400 1.00 0.00 C ATOM 167 CG GLU A 12 9.582 8.353 -0.434 1.00 0.00 C ATOM 168 CD GLU A 12 9.946 9.834 -0.561 1.00 0.00 C ATOM 169 OE1 GLU A 12 10.739 10.156 -1.431 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.425 10.619 0.213 1.00 0.00 O ATOM 0 H GLU A 12 8.842 5.825 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 12 7.917 6.408 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.293 8.842 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.511 7.893 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.281 8.129 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.452 7.734 -0.653 1.00 0.00 H new ATOM 177 N ASN A 13 11.158 6.737 -2.752 1.00 0.00 N ATOM 178 CA ASN A 13 12.312 6.966 -3.671 1.00 0.00 C ATOM 179 C ASN A 13 12.568 5.697 -4.500 1.00 0.00 C ATOM 180 O ASN A 13 12.859 5.762 -5.678 1.00 0.00 O ATOM 181 CB ASN A 13 13.557 7.304 -2.847 1.00 0.00 C ATOM 182 CG ASN A 13 14.212 8.567 -3.410 1.00 0.00 C ATOM 183 OD1 ASN A 13 14.038 8.891 -4.568 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.963 9.298 -2.633 1.00 0.00 N ATOM 0 H ASN A 13 11.402 6.368 -1.833 1.00 0.00 H new ATOM 0 HA ASN A 13 12.086 7.794 -4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.285 7.457 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.261 6.473 -2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.404 10.142 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.109 9.025 -1.661 1.00 0.00 H new ATOM 191 N THR A 14 12.446 4.543 -3.896 1.00 0.00 N ATOM 192 CA THR A 14 12.660 3.266 -4.639 1.00 0.00 C ATOM 193 C THR A 14 11.548 3.147 -5.688 1.00 0.00 C ATOM 194 O THR A 14 11.785 3.089 -6.876 1.00 0.00 O ATOM 195 CB THR A 14 12.610 2.107 -3.606 1.00 0.00 C ATOM 196 OG1 THR A 14 13.900 1.951 -3.032 1.00 0.00 O ATOM 197 CG2 THR A 14 12.188 0.768 -4.235 1.00 0.00 C ATOM 0 H THR A 14 12.205 4.430 -2.911 1.00 0.00 H new ATOM 0 HA THR A 14 13.622 3.232 -5.150 1.00 0.00 H new ATOM 0 HB THR A 14 11.864 2.369 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.934 2.418 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.170 -0.005 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.194 0.868 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.900 0.491 -5.013 1.00 0.00 H new ATOM 205 N LEU A 15 10.337 3.133 -5.232 1.00 0.00 N ATOM 206 CA LEU A 15 9.156 3.037 -6.148 1.00 0.00 C ATOM 207 C LEU A 15 9.282 4.078 -7.267 1.00 0.00 C ATOM 208 O LEU A 15 8.705 3.931 -8.320 1.00 0.00 O ATOM 209 CB LEU A 15 7.842 3.315 -5.376 1.00 0.00 C ATOM 210 CG LEU A 15 7.842 2.650 -3.997 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.643 3.147 -3.186 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.763 1.132 -4.157 1.00 0.00 C ATOM 0 H LEU A 15 10.100 3.185 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 15 9.131 2.030 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.709 4.391 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.995 2.949 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 15 8.762 2.908 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.645 2.672 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.708 4.228 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.720 2.895 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.763 0.662 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.846 0.869 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.623 0.781 -4.727 1.00 0.00 H new ATOM 224 N ALA A 16 10.018 5.133 -7.049 1.00 0.00 N ATOM 225 CA ALA A 16 10.157 6.167 -8.116 1.00 0.00 C ATOM 226 C ALA A 16 11.051 5.625 -9.232 1.00 0.00 C ATOM 227 O ALA A 16 10.773 5.791 -10.404 1.00 0.00 O ATOM 228 CB ALA A 16 10.788 7.429 -7.523 1.00 0.00 C ATOM 0 H ALA A 16 10.526 5.324 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 16 9.174 6.409 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.890 8.185 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.152 7.813 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.772 7.189 -7.119 1.00 0.00 H new ATOM 234 N LYS A 17 12.128 4.985 -8.871 1.00 0.00 N ATOM 235 CA LYS A 17 13.058 4.432 -9.894 1.00 0.00 C ATOM 236 C LYS A 17 12.339 3.407 -10.779 1.00 0.00 C ATOM 237 O LYS A 17 12.818 3.054 -11.838 1.00 0.00 O ATOM 238 CB LYS A 17 14.234 3.751 -9.185 1.00 0.00 C ATOM 239 CG LYS A 17 15.272 4.801 -8.786 1.00 0.00 C ATOM 240 CD LYS A 17 16.298 4.957 -9.910 1.00 0.00 C ATOM 241 CE LYS A 17 17.620 4.307 -9.492 1.00 0.00 C ATOM 242 NZ LYS A 17 18.466 4.080 -10.699 1.00 0.00 N ATOM 0 H LYS A 17 12.406 4.820 -7.903 1.00 0.00 H new ATOM 0 HA LYS A 17 13.417 5.247 -10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.881 3.221 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.687 3.009 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.783 5.755 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.770 4.503 -7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.926 4.493 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.454 6.013 -10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.144 4.947 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.428 3.361 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.364 3.639 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.966 3.453 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.659 4.990 -11.164 1.00 0.00 H new ATOM 256 N MET A 18 11.203 2.912 -10.361 1.00 0.00 N ATOM 257 CA MET A 18 10.491 1.903 -11.201 1.00 0.00 C ATOM 258 C MET A 18 9.014 1.833 -10.806 1.00 0.00 C ATOM 259 O MET A 18 8.435 2.809 -10.383 1.00 0.00 O ATOM 260 CB MET A 18 11.173 0.543 -11.031 1.00 0.00 C ATOM 261 CG MET A 18 11.258 0.167 -9.557 1.00 0.00 C ATOM 262 SD MET A 18 12.733 0.923 -8.835 1.00 0.00 S ATOM 263 CE MET A 18 12.347 0.535 -7.117 1.00 0.00 C ATOM 0 H MET A 18 10.742 3.159 -9.485 1.00 0.00 H new ATOM 0 HA MET A 18 10.539 2.194 -12.250 1.00 0.00 H new ATOM 0 HB2 MET A 18 10.616 -0.220 -11.575 1.00 0.00 H new ATOM 0 HB3 MET A 18 12.174 0.575 -11.462 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.366 0.507 -9.031 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.299 -0.917 -9.448 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.928 1.181 -6.459 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.284 0.696 -6.938 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.595 -0.507 -6.915 1.00 0.00 H new ATOM 273 N ASP A 19 8.385 0.703 -10.970 1.00 0.00 N ATOM 274 CA ASP A 19 6.938 0.610 -10.622 1.00 0.00 C ATOM 275 C ASP A 19 6.536 -0.846 -10.364 1.00 0.00 C ATOM 276 O ASP A 19 5.741 -1.128 -9.491 1.00 0.00 O ATOM 277 CB ASP A 19 6.109 1.162 -11.784 1.00 0.00 C ATOM 278 CG ASP A 19 5.412 2.452 -11.349 1.00 0.00 C ATOM 279 OD1 ASP A 19 5.942 3.123 -10.479 1.00 0.00 O ATOM 280 OD2 ASP A 19 4.361 2.746 -11.893 1.00 0.00 O ATOM 0 H ASP A 19 8.805 -0.155 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 19 6.755 1.189 -9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.752 1.356 -12.643 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.370 0.425 -12.099 1.00 0.00 H new ATOM 285 N ASP A 20 7.063 -1.775 -11.119 1.00 0.00 N ATOM 286 CA ASP A 20 6.683 -3.199 -10.904 1.00 0.00 C ATOM 287 C ASP A 20 7.788 -4.124 -11.418 1.00 0.00 C ATOM 288 O ASP A 20 7.792 -4.522 -12.566 1.00 0.00 O ATOM 289 CB ASP A 20 5.383 -3.497 -11.656 1.00 0.00 C ATOM 290 CG ASP A 20 5.550 -3.154 -13.141 1.00 0.00 C ATOM 291 OD1 ASP A 20 6.543 -2.532 -13.479 1.00 0.00 O ATOM 292 OD2 ASP A 20 4.680 -3.522 -13.913 1.00 0.00 O ATOM 0 H ASP A 20 7.734 -1.609 -11.869 1.00 0.00 H new ATOM 0 HA ASP A 20 6.542 -3.371 -9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.121 -4.549 -11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.565 -2.917 -11.229 1.00 0.00 H new ATOM 297 N GLY A 21 8.721 -4.478 -10.577 1.00 0.00 N ATOM 298 CA GLY A 21 9.816 -5.387 -11.025 1.00 0.00 C ATOM 299 C GLY A 21 11.064 -5.155 -10.174 1.00 0.00 C ATOM 300 O GLY A 21 11.877 -6.040 -9.989 1.00 0.00 O ATOM 0 H GLY A 21 8.773 -4.179 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.496 -6.426 -10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.043 -5.207 -12.076 1.00 0.00 H new ATOM 304 N GLN A 22 11.222 -3.972 -9.656 1.00 0.00 N ATOM 305 CA GLN A 22 12.416 -3.677 -8.817 1.00 0.00 C ATOM 306 C GLN A 22 11.989 -3.561 -7.355 1.00 0.00 C ATOM 307 O GLN A 22 12.638 -4.067 -6.462 1.00 0.00 O ATOM 308 CB GLN A 22 13.030 -2.368 -9.279 1.00 0.00 C ATOM 309 CG GLN A 22 14.529 -2.525 -9.478 1.00 0.00 C ATOM 310 CD GLN A 22 14.917 -1.969 -10.849 1.00 0.00 C ATOM 311 OE1 GLN A 22 15.817 -2.470 -11.493 1.00 0.00 O ATOM 312 NE2 GLN A 22 14.266 -0.943 -11.323 1.00 0.00 N ATOM 0 H GLN A 22 10.574 -3.193 -9.777 1.00 0.00 H new ATOM 0 HA GLN A 22 13.149 -4.478 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.564 -2.050 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.834 -1.588 -8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.069 -1.997 -8.692 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.809 -3.576 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.511 -0.524 -10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.512 -0.560 -12.236 1.00 0.00 H new ATOM 321 N LEU A 23 10.892 -2.900 -7.110 1.00 0.00 N ATOM 322 CA LEU A 23 10.400 -2.751 -5.707 1.00 0.00 C ATOM 323 C LEU A 23 9.716 -4.049 -5.242 1.00 0.00 C ATOM 324 O LEU A 23 9.177 -4.113 -4.156 1.00 0.00 O ATOM 325 CB LEU A 23 9.398 -1.584 -5.607 1.00 0.00 C ATOM 326 CG LEU A 23 8.510 -1.490 -6.862 1.00 0.00 C ATOM 327 CD1 LEU A 23 7.961 -2.869 -7.239 1.00 0.00 C ATOM 328 CD2 LEU A 23 7.335 -0.553 -6.578 1.00 0.00 C ATOM 0 H LEU A 23 10.312 -2.455 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 23 11.257 -2.543 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.770 -1.717 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.941 -0.648 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 23 9.112 -1.108 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.336 -2.781 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.790 -3.547 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.366 -3.262 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.703 -0.483 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.751 -0.944 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.713 0.437 -6.323 1.00 0.00 H new ATOM 340 N ASP A 24 9.724 -5.085 -6.042 1.00 0.00 N ATOM 341 CA ASP A 24 9.070 -6.354 -5.610 1.00 0.00 C ATOM 342 C ASP A 24 9.964 -7.093 -4.600 1.00 0.00 C ATOM 343 O ASP A 24 9.600 -8.133 -4.089 1.00 0.00 O ATOM 344 CB ASP A 24 8.840 -7.248 -6.835 1.00 0.00 C ATOM 345 CG ASP A 24 10.187 -7.640 -7.450 1.00 0.00 C ATOM 346 OD1 ASP A 24 11.167 -6.975 -7.157 1.00 0.00 O ATOM 347 OD2 ASP A 24 10.216 -8.600 -8.203 1.00 0.00 O ATOM 0 H ASP A 24 10.152 -5.106 -6.968 1.00 0.00 H new ATOM 0 HA ASP A 24 8.116 -6.121 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.288 -8.142 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.232 -6.722 -7.572 1.00 0.00 H new ATOM 352 N GLY A 25 11.135 -6.577 -4.318 1.00 0.00 N ATOM 353 CA GLY A 25 12.042 -7.270 -3.355 1.00 0.00 C ATOM 354 C GLY A 25 12.001 -6.594 -1.980 1.00 0.00 C ATOM 355 O GLY A 25 12.967 -6.630 -1.243 1.00 0.00 O ATOM 0 H GLY A 25 11.500 -5.710 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.747 -8.315 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.062 -7.260 -3.739 1.00 0.00 H new ATOM 359 N LEU A 26 10.908 -5.981 -1.616 1.00 0.00 N ATOM 360 CA LEU A 26 10.844 -5.322 -0.287 1.00 0.00 C ATOM 361 C LEU A 26 10.170 -6.256 0.714 1.00 0.00 C ATOM 362 O LEU A 26 9.879 -7.401 0.427 1.00 0.00 O ATOM 363 CB LEU A 26 10.034 -4.016 -0.382 1.00 0.00 C ATOM 364 CG LEU A 26 10.606 -3.074 -1.460 1.00 0.00 C ATOM 365 CD1 LEU A 26 10.158 -1.641 -1.162 1.00 0.00 C ATOM 366 CD2 LEU A 26 12.141 -3.115 -1.475 1.00 0.00 C ATOM 0 H LEU A 26 10.062 -5.910 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 26 11.858 -5.094 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.994 -4.247 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.040 -3.511 0.584 1.00 0.00 H new ATOM 0 HG LEU A 26 10.237 -3.402 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.559 -0.969 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.069 -1.591 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.526 -1.341 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.515 -2.441 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.523 -2.803 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.476 -4.130 -1.688 1.00 0.00 H new ATOM 378 N ALA A 27 9.912 -5.758 1.882 1.00 0.00 N ATOM 379 CA ALA A 27 9.240 -6.577 2.933 1.00 0.00 C ATOM 380 C ALA A 27 7.793 -6.088 3.110 1.00 0.00 C ATOM 381 O ALA A 27 7.029 -6.612 3.914 1.00 0.00 O ATOM 382 CB ALA A 27 9.994 -6.429 4.256 1.00 0.00 C ATOM 0 H ALA A 27 10.139 -4.804 2.164 1.00 0.00 H new ATOM 0 HA ALA A 27 9.238 -7.625 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.503 -7.027 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.021 -6.772 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.996 -5.382 4.558 1.00 0.00 H new ATOM 388 N PHE A 28 7.406 -5.087 2.362 1.00 0.00 N ATOM 389 CA PHE A 28 6.025 -4.567 2.474 1.00 0.00 C ATOM 390 C PHE A 28 5.517 -4.196 1.092 1.00 0.00 C ATOM 391 O PHE A 28 6.190 -3.541 0.321 1.00 0.00 O ATOM 392 CB PHE A 28 6.007 -3.323 3.357 1.00 0.00 C ATOM 393 CG PHE A 28 6.970 -2.302 2.799 1.00 0.00 C ATOM 394 CD1 PHE A 28 6.529 -1.376 1.851 1.00 0.00 C ATOM 395 CD2 PHE A 28 8.300 -2.277 3.237 1.00 0.00 C ATOM 396 CE1 PHE A 28 7.417 -0.426 1.336 1.00 0.00 C ATOM 397 CE2 PHE A 28 9.190 -1.329 2.721 1.00 0.00 C ATOM 398 CZ PHE A 28 8.750 -0.402 1.770 1.00 0.00 C ATOM 0 H PHE A 28 7.994 -4.611 1.678 1.00 0.00 H new ATOM 0 HA PHE A 28 5.389 -5.335 2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.001 -2.906 3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.286 -3.583 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.503 -1.394 1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.639 -2.990 3.974 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.075 0.290 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.216 -1.313 3.057 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.436 0.331 1.371 1.00 0.00 H new ATOM 408 N GLY A 29 4.330 -4.600 0.779 1.00 0.00 N ATOM 409 CA GLY A 29 3.764 -4.267 -0.544 1.00 0.00 C ATOM 410 C GLY A 29 3.714 -2.752 -0.705 1.00 0.00 C ATOM 411 O GLY A 29 3.298 -2.049 0.193 1.00 0.00 O ATOM 0 H GLY A 29 3.723 -5.150 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.372 -4.708 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.763 -4.687 -0.640 1.00 0.00 H new ATOM 415 N ALA A 30 4.101 -2.232 -1.840 1.00 0.00 N ATOM 416 CA ALA A 30 4.024 -0.759 -2.017 1.00 0.00 C ATOM 417 C ALA A 30 3.026 -0.476 -3.133 1.00 0.00 C ATOM 418 O ALA A 30 3.233 -0.843 -4.272 1.00 0.00 O ATOM 419 CB ALA A 30 5.405 -0.166 -2.347 1.00 0.00 C ATOM 0 H ALA A 30 4.461 -2.756 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 30 3.695 -0.288 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.317 0.913 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.098 -0.383 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.780 -0.608 -3.270 1.00 0.00 H new ATOM 425 N ILE A 31 1.921 0.142 -2.804 1.00 0.00 N ATOM 426 CA ILE A 31 0.886 0.413 -3.838 1.00 0.00 C ATOM 427 C ILE A 31 0.663 1.912 -3.982 1.00 0.00 C ATOM 428 O ILE A 31 0.972 2.693 -3.105 1.00 0.00 O ATOM 429 CB ILE A 31 -0.433 -0.286 -3.457 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.158 0.446 -2.325 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.122 -1.694 -2.987 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.014 1.574 -2.909 1.00 0.00 C ATOM 0 H ILE A 31 1.694 0.469 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 31 1.232 0.020 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.077 -0.290 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.786 -0.251 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.434 0.853 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.048 -2.199 -2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.370 -2.245 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.537 -1.651 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.530 2.094 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.375 2.276 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.748 1.155 -3.598 1.00 0.00 H new ATOM 444 N GLN A 32 0.108 2.310 -5.085 1.00 0.00 N ATOM 445 CA GLN A 32 -0.167 3.748 -5.306 1.00 0.00 C ATOM 446 C GLN A 32 -1.636 3.894 -5.677 1.00 0.00 C ATOM 447 O GLN A 32 -2.310 2.920 -5.952 1.00 0.00 O ATOM 448 CB GLN A 32 0.711 4.268 -6.441 1.00 0.00 C ATOM 449 CG GLN A 32 2.159 4.371 -5.958 1.00 0.00 C ATOM 450 CD GLN A 32 3.106 4.275 -7.156 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.871 4.883 -8.181 1.00 0.00 O ATOM 452 NE2 GLN A 32 4.174 3.531 -7.067 1.00 0.00 N ATOM 0 H GLN A 32 -0.169 1.695 -5.850 1.00 0.00 H new ATOM 0 HA GLN A 32 0.052 4.322 -4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.649 3.599 -7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.356 5.244 -6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.312 5.315 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.374 3.573 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.370 3.021 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.813 3.459 -7.859 1.00 0.00 H new ATOM 461 N LEU A 33 -2.151 5.088 -5.685 1.00 0.00 N ATOM 462 CA LEU A 33 -3.585 5.259 -6.035 1.00 0.00 C ATOM 463 C LEU A 33 -3.813 6.648 -6.634 1.00 0.00 C ATOM 464 O LEU A 33 -3.175 7.610 -6.249 1.00 0.00 O ATOM 465 CB LEU A 33 -4.433 5.130 -4.770 1.00 0.00 C ATOM 466 CG LEU A 33 -4.410 3.683 -4.275 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.190 3.585 -2.965 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.054 2.775 -5.324 1.00 0.00 C ATOM 0 H LEU A 33 -1.646 5.947 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.867 4.495 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.050 5.795 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.458 5.437 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.379 3.369 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.176 2.555 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.731 4.233 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.221 3.897 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.038 1.744 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.086 3.086 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.498 2.848 -6.259 1.00 0.00 H new ATOM 480 N ASP A 34 -4.730 6.772 -7.556 1.00 0.00 N ATOM 481 CA ASP A 34 -4.999 8.110 -8.150 1.00 0.00 C ATOM 482 C ASP A 34 -6.462 8.497 -7.928 1.00 0.00 C ATOM 483 O ASP A 34 -7.360 7.801 -8.340 1.00 0.00 O ATOM 484 CB ASP A 34 -4.720 8.098 -9.648 1.00 0.00 C ATOM 485 CG ASP A 34 -3.260 8.474 -9.905 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.667 9.100 -9.041 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.759 8.134 -10.964 1.00 0.00 O ATOM 0 H ASP A 34 -5.300 6.009 -7.921 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.343 8.833 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.928 7.110 -10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.381 8.800 -10.156 1.00 0.00 H new ATOM 492 N GLY A 35 -6.650 9.632 -7.307 1.00 0.00 N ATOM 493 CA GLY A 35 -7.995 10.230 -7.007 1.00 0.00 C ATOM 494 C GLY A 35 -9.057 9.195 -6.634 1.00 0.00 C ATOM 495 O GLY A 35 -9.427 9.046 -5.486 1.00 0.00 O ATOM 0 H GLY A 35 -5.876 10.207 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.892 10.943 -6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.336 10.791 -7.877 1.00 0.00 H new ATOM 499 N ASP A 36 -9.569 8.513 -7.606 1.00 0.00 N ATOM 500 CA ASP A 36 -10.644 7.504 -7.356 1.00 0.00 C ATOM 501 C ASP A 36 -10.095 6.294 -6.597 1.00 0.00 C ATOM 502 O ASP A 36 -10.830 5.391 -6.250 1.00 0.00 O ATOM 503 CB ASP A 36 -11.217 7.038 -8.697 1.00 0.00 C ATOM 504 CG ASP A 36 -12.651 6.533 -8.505 1.00 0.00 C ATOM 505 OD1 ASP A 36 -13.115 6.529 -7.375 1.00 0.00 O ATOM 506 OD2 ASP A 36 -13.261 6.158 -9.492 1.00 0.00 O ATOM 0 H ASP A 36 -9.290 8.606 -8.583 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.422 7.969 -6.751 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.205 7.860 -9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.595 6.245 -9.112 1.00 0.00 H new ATOM 511 N GLY A 37 -8.820 6.256 -6.342 1.00 0.00 N ATOM 512 CA GLY A 37 -8.247 5.095 -5.614 1.00 0.00 C ATOM 513 C GLY A 37 -7.815 4.027 -6.619 1.00 0.00 C ATOM 514 O GLY A 37 -7.561 2.896 -6.255 1.00 0.00 O ATOM 0 H GLY A 37 -8.150 6.978 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.393 5.413 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.985 4.684 -4.925 1.00 0.00 H new ATOM 518 N ASN A 38 -7.721 4.365 -7.880 1.00 0.00 N ATOM 519 CA ASN A 38 -7.295 3.342 -8.878 1.00 0.00 C ATOM 520 C ASN A 38 -5.818 3.029 -8.648 1.00 0.00 C ATOM 521 O ASN A 38 -5.015 3.909 -8.435 1.00 0.00 O ATOM 522 CB ASN A 38 -7.494 3.873 -10.295 1.00 0.00 C ATOM 523 CG ASN A 38 -8.914 3.558 -10.768 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.282 2.407 -10.897 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.733 4.537 -11.033 1.00 0.00 N ATOM 0 H ASN A 38 -7.918 5.292 -8.257 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.895 2.440 -8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.323 4.949 -10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.767 3.420 -10.969 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.682 4.337 -11.348 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.425 5.503 -10.925 1.00 0.00 H new ATOM 532 N ILE A 39 -5.462 1.780 -8.666 1.00 0.00 N ATOM 533 CA ILE A 39 -4.040 1.403 -8.411 1.00 0.00 C ATOM 534 C ILE A 39 -3.118 1.940 -9.511 1.00 0.00 C ATOM 535 O ILE A 39 -3.427 1.904 -10.685 1.00 0.00 O ATOM 536 CB ILE A 39 -3.942 -0.145 -8.287 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.269 -0.489 -6.955 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.138 -0.782 -9.434 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.334 -0.628 -5.866 1.00 0.00 C ATOM 0 H ILE A 39 -6.092 0.998 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.708 1.856 -7.477 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.954 -0.546 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.706 -1.418 -7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.556 0.290 -6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.102 -1.863 -9.297 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.618 -0.553 -10.386 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.124 -0.382 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.855 -0.873 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.877 0.312 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.030 -1.422 -6.137 1.00 0.00 H new ATOM 551 N LEU A 40 -1.971 2.407 -9.113 1.00 0.00 N ATOM 552 CA LEU A 40 -0.974 2.922 -10.090 1.00 0.00 C ATOM 553 C LEU A 40 0.229 1.968 -10.085 1.00 0.00 C ATOM 554 O LEU A 40 0.953 1.853 -11.054 1.00 0.00 O ATOM 555 CB LEU A 40 -0.503 4.332 -9.695 1.00 0.00 C ATOM 556 CG LEU A 40 -1.599 5.079 -8.923 1.00 0.00 C ATOM 557 CD1 LEU A 40 -1.019 6.367 -8.343 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.755 5.422 -9.863 1.00 0.00 C ATOM 0 H LEU A 40 -1.677 2.455 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.427 2.977 -11.080 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.395 4.261 -9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.235 4.894 -10.590 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.968 4.445 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.795 6.900 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.198 6.125 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.650 6.997 -9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.530 5.952 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.390 6.055 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.170 4.504 -10.279 1.00 0.00 H new ATOM 570 N GLN A 41 0.444 1.283 -8.988 1.00 0.00 N ATOM 571 CA GLN A 41 1.595 0.333 -8.895 1.00 0.00 C ATOM 572 C GLN A 41 1.344 -0.613 -7.698 1.00 0.00 C ATOM 573 O GLN A 41 0.549 -0.316 -6.829 1.00 0.00 O ATOM 574 CB GLN A 41 2.892 1.159 -8.739 1.00 0.00 C ATOM 575 CG GLN A 41 4.004 0.346 -8.064 1.00 0.00 C ATOM 576 CD GLN A 41 3.934 0.508 -6.540 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.863 0.148 -5.845 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.877 1.035 -5.976 1.00 0.00 N ATOM 0 H GLN A 41 -0.132 1.342 -8.149 1.00 0.00 H new ATOM 0 HA GLN A 41 1.697 -0.281 -9.790 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.230 1.494 -9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.686 2.053 -8.150 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.906 -0.707 -8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.977 0.677 -8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.091 1.341 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.839 1.140 -4.962 1.00 0.00 H new ATOM 587 N TYR A 42 1.981 -1.763 -7.660 1.00 0.00 N ATOM 588 CA TYR A 42 1.726 -2.720 -6.536 1.00 0.00 C ATOM 589 C TYR A 42 3.020 -3.474 -6.152 1.00 0.00 C ATOM 590 O TYR A 42 3.574 -3.247 -5.089 1.00 0.00 O ATOM 591 CB TYR A 42 0.651 -3.718 -7.002 1.00 0.00 C ATOM 592 CG TYR A 42 0.028 -4.433 -5.824 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.808 -3.740 -4.943 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.275 -5.794 -5.624 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.397 -4.407 -3.861 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.310 -6.460 -4.543 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.147 -5.772 -3.661 1.00 0.00 C ATOM 598 OH TYR A 42 -1.732 -6.437 -2.598 1.00 0.00 O ATOM 0 H TYR A 42 2.660 -2.077 -8.353 1.00 0.00 H new ATOM 0 HA TYR A 42 1.388 -2.175 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.121 -3.191 -7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.095 -4.446 -7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.000 -2.688 -5.097 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.918 -6.332 -6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.043 -3.870 -3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.114 -7.511 -4.389 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.668 -5.884 -1.791 1.00 0.00 H new ATOM 608 N ASN A 43 3.469 -4.370 -7.019 1.00 0.00 N ATOM 609 CA ASN A 43 4.709 -5.211 -6.798 1.00 0.00 C ATOM 610 C ASN A 43 4.287 -6.660 -6.491 1.00 0.00 C ATOM 611 O ASN A 43 3.115 -6.979 -6.468 1.00 0.00 O ATOM 612 CB ASN A 43 5.641 -4.647 -5.697 1.00 0.00 C ATOM 613 CG ASN A 43 5.226 -5.123 -4.300 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.108 -5.540 -4.100 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.095 -5.074 -3.325 1.00 0.00 N ATOM 0 H ASN A 43 3.006 -4.559 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 43 5.298 -5.185 -7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.667 -4.956 -5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.624 -3.558 -5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.832 -5.388 -2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.036 -4.722 -3.498 1.00 0.00 H new ATOM 622 N ALA A 44 5.231 -7.547 -6.300 1.00 0.00 N ATOM 623 CA ALA A 44 4.872 -8.979 -6.049 1.00 0.00 C ATOM 624 C ALA A 44 4.846 -9.335 -4.552 1.00 0.00 C ATOM 625 O ALA A 44 4.177 -10.267 -4.159 1.00 0.00 O ATOM 626 CB ALA A 44 5.890 -9.875 -6.754 1.00 0.00 C ATOM 0 H ALA A 44 6.231 -7.344 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 44 3.866 -9.136 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.638 -10.921 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.872 -9.673 -7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.887 -9.671 -6.363 1.00 0.00 H new ATOM 632 N ALA A 45 5.575 -8.649 -3.717 1.00 0.00 N ATOM 633 CA ALA A 45 5.579 -9.015 -2.260 1.00 0.00 C ATOM 634 C ALA A 45 4.151 -9.123 -1.728 1.00 0.00 C ATOM 635 O ALA A 45 3.704 -10.170 -1.298 1.00 0.00 O ATOM 636 CB ALA A 45 6.322 -7.940 -1.461 1.00 0.00 C ATOM 0 H ALA A 45 6.165 -7.857 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 45 6.077 -9.978 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.323 -8.208 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.349 -7.866 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.823 -6.980 -1.591 1.00 0.00 H new ATOM 642 N GLU A 46 3.448 -8.038 -1.730 1.00 0.00 N ATOM 643 CA GLU A 46 2.045 -8.046 -1.207 1.00 0.00 C ATOM 644 C GLU A 46 1.207 -9.036 -1.987 1.00 0.00 C ATOM 645 O GLU A 46 0.554 -9.881 -1.431 1.00 0.00 O ATOM 646 CB GLU A 46 1.385 -6.664 -1.331 1.00 0.00 C ATOM 647 CG GLU A 46 1.984 -5.852 -2.481 1.00 0.00 C ATOM 648 CD GLU A 46 1.345 -4.472 -2.524 1.00 0.00 C ATOM 649 OE1 GLU A 46 0.338 -4.274 -1.864 1.00 0.00 O ATOM 650 OE2 GLU A 46 1.973 -3.529 -3.299 1.00 0.00 O ATOM 0 H GLU A 46 3.777 -7.135 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 46 2.096 -8.325 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.314 -6.785 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.508 -6.117 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.062 -5.760 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.820 -6.368 -3.427 1.00 0.00 H new ATOM 658 N GLY A 47 1.206 -8.924 -3.269 1.00 0.00 N ATOM 659 CA GLY A 47 0.382 -9.855 -4.091 1.00 0.00 C ATOM 660 C GLY A 47 0.797 -11.304 -3.818 1.00 0.00 C ATOM 661 O GLY A 47 0.083 -12.229 -4.147 1.00 0.00 O ATOM 0 H GLY A 47 1.737 -8.230 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.674 -9.721 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.507 -9.626 -5.149 1.00 0.00 H new ATOM 665 N ASP A 48 1.939 -11.522 -3.215 1.00 0.00 N ATOM 666 CA ASP A 48 2.360 -12.922 -2.932 1.00 0.00 C ATOM 667 C ASP A 48 1.587 -13.431 -1.716 1.00 0.00 C ATOM 668 O ASP A 48 1.214 -14.585 -1.640 1.00 0.00 O ATOM 669 CB ASP A 48 3.863 -12.967 -2.647 1.00 0.00 C ATOM 670 CG ASP A 48 4.605 -13.430 -3.902 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.403 -12.826 -4.943 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.362 -14.382 -3.801 1.00 0.00 O ATOM 0 H ASP A 48 2.590 -10.798 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 48 2.149 -13.552 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.217 -11.981 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.067 -13.646 -1.819 1.00 0.00 H new ATOM 677 N ILE A 49 1.340 -12.572 -0.765 1.00 0.00 N ATOM 678 CA ILE A 49 0.589 -12.989 0.447 1.00 0.00 C ATOM 679 C ILE A 49 -0.925 -12.867 0.174 1.00 0.00 C ATOM 680 O ILE A 49 -1.674 -13.811 0.325 1.00 0.00 O ATOM 681 CB ILE A 49 1.049 -12.098 1.618 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.869 -12.943 2.595 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.124 -11.454 2.372 1.00 0.00 C ATOM 684 CD1 ILE A 49 1.005 -14.082 3.137 1.00 0.00 C ATOM 0 H ILE A 49 1.629 -11.594 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 49 0.786 -14.029 0.706 1.00 0.00 H new ATOM 0 HB ILE A 49 1.647 -11.290 1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.748 -13.347 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.228 -12.322 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.260 -10.838 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.699 -10.832 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.767 -12.234 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.590 -14.683 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.140 -13.668 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.668 -14.708 2.311 1.00 0.00 H new ATOM 696 N THR A 50 -1.368 -11.700 -0.212 1.00 0.00 N ATOM 697 CA THR A 50 -2.820 -11.487 -0.483 1.00 0.00 C ATOM 698 C THR A 50 -3.197 -12.058 -1.848 1.00 0.00 C ATOM 699 O THR A 50 -4.349 -12.336 -2.114 1.00 0.00 O ATOM 700 CB THR A 50 -3.122 -9.982 -0.486 1.00 0.00 C ATOM 701 OG1 THR A 50 -2.542 -9.394 -1.641 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.527 -9.332 0.758 1.00 0.00 C ATOM 0 H THR A 50 -0.781 -10.878 -0.352 1.00 0.00 H new ATOM 0 HA THR A 50 -3.395 -11.991 0.293 1.00 0.00 H new ATOM 0 HB THR A 50 -4.201 -9.830 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.570 -9.520 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.745 -8.264 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.963 -9.784 1.649 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.447 -9.482 0.766 1.00 0.00 H new ATOM 710 N GLY A 51 -2.248 -12.211 -2.723 1.00 0.00 N ATOM 711 CA GLY A 51 -2.572 -12.736 -4.073 1.00 0.00 C ATOM 712 C GLY A 51 -2.788 -11.557 -5.026 1.00 0.00 C ATOM 713 O GLY A 51 -2.731 -11.706 -6.231 1.00 0.00 O ATOM 0 H GLY A 51 -1.264 -11.996 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.762 -13.370 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.468 -13.356 -4.031 1.00 0.00 H new ATOM 717 N ARG A 52 -3.030 -10.381 -4.490 1.00 0.00 N ATOM 718 CA ARG A 52 -3.241 -9.173 -5.347 1.00 0.00 C ATOM 719 C ARG A 52 -2.179 -9.111 -6.445 1.00 0.00 C ATOM 720 O ARG A 52 -1.096 -8.596 -6.246 1.00 0.00 O ATOM 721 CB ARG A 52 -3.114 -7.912 -4.488 1.00 0.00 C ATOM 722 CG ARG A 52 -4.494 -7.339 -4.153 1.00 0.00 C ATOM 723 CD ARG A 52 -4.502 -5.834 -4.466 1.00 0.00 C ATOM 724 NE ARG A 52 -4.851 -5.010 -3.254 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.457 -3.760 -3.171 1.00 0.00 C ATOM 726 NH1 ARG A 52 -3.926 -3.152 -4.202 1.00 0.00 N ATOM 727 NH2 ARG A 52 -4.616 -3.108 -2.055 1.00 0.00 N ATOM 0 H ARG A 52 -3.090 -10.208 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.232 -9.234 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.580 -8.146 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.524 -7.164 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.264 -7.848 -4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.725 -7.506 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.522 -5.535 -4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.220 -5.632 -5.261 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.394 -5.424 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.814 -3.650 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.625 -2.181 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.044 -3.568 -1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.312 -2.137 -1.984 1.00 0.00 H new ATOM 741 N ASP A 53 -2.481 -9.614 -7.603 1.00 0.00 N ATOM 742 CA ASP A 53 -1.489 -9.561 -8.709 1.00 0.00 C ATOM 743 C ASP A 53 -1.307 -8.097 -9.121 1.00 0.00 C ATOM 744 O ASP A 53 -2.172 -7.289 -8.865 1.00 0.00 O ATOM 745 CB ASP A 53 -1.993 -10.374 -9.903 1.00 0.00 C ATOM 746 CG ASP A 53 -1.868 -11.869 -9.599 1.00 0.00 C ATOM 747 OD1 ASP A 53 -1.180 -12.207 -8.648 1.00 0.00 O ATOM 748 OD2 ASP A 53 -2.460 -12.652 -10.323 1.00 0.00 O ATOM 0 H ASP A 53 -3.369 -10.059 -7.834 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.539 -9.982 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.032 -10.122 -10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.417 -10.125 -10.794 1.00 0.00 H new ATOM 753 N PRO A 54 -0.193 -7.784 -9.739 1.00 0.00 N ATOM 754 CA PRO A 54 0.090 -6.407 -10.175 1.00 0.00 C ATOM 755 C PRO A 54 -0.677 -6.086 -11.461 1.00 0.00 C ATOM 756 O PRO A 54 -1.195 -5.001 -11.635 1.00 0.00 O ATOM 757 CB PRO A 54 1.601 -6.411 -10.419 1.00 0.00 C ATOM 758 CG PRO A 54 2.001 -7.887 -10.663 1.00 0.00 C ATOM 759 CD PRO A 54 0.879 -8.753 -10.060 1.00 0.00 C ATOM 0 HA PRO A 54 -0.214 -5.654 -9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.857 -5.792 -11.279 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.134 -6.001 -9.561 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.114 -8.087 -11.729 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.959 -8.112 -10.193 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.535 -9.508 -10.767 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.219 -9.281 -9.169 1.00 0.00 H new ATOM 767 N LYS A 55 -0.747 -7.023 -12.365 1.00 0.00 N ATOM 768 CA LYS A 55 -1.470 -6.781 -13.643 1.00 0.00 C ATOM 769 C LYS A 55 -2.982 -6.875 -13.419 1.00 0.00 C ATOM 770 O LYS A 55 -3.761 -6.294 -14.149 1.00 0.00 O ATOM 771 CB LYS A 55 -1.042 -7.831 -14.674 1.00 0.00 C ATOM 772 CG LYS A 55 -1.121 -9.226 -14.046 1.00 0.00 C ATOM 773 CD LYS A 55 -1.930 -10.158 -14.952 1.00 0.00 C ATOM 774 CE LYS A 55 -2.195 -11.476 -14.219 1.00 0.00 C ATOM 775 NZ LYS A 55 -1.940 -12.620 -15.140 1.00 0.00 N ATOM 0 H LYS A 55 -0.332 -7.950 -12.272 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.226 -5.783 -14.008 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.687 -7.779 -15.551 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.026 -7.630 -15.013 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.118 -9.626 -13.900 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.586 -9.166 -13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.873 -9.687 -15.228 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.385 -10.347 -15.877 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.552 -11.552 -13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.225 -11.505 -13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.120 -13.514 -14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.571 -12.550 -15.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.950 -12.595 -15.459 1.00 0.00 H new ATOM 789 N GLN A 56 -3.407 -7.607 -12.425 1.00 0.00 N ATOM 790 CA GLN A 56 -4.871 -7.737 -12.175 1.00 0.00 C ATOM 791 C GLN A 56 -5.367 -6.549 -11.349 1.00 0.00 C ATOM 792 O GLN A 56 -6.387 -5.961 -11.644 1.00 0.00 O ATOM 793 CB GLN A 56 -5.146 -9.037 -11.416 1.00 0.00 C ATOM 794 CG GLN A 56 -6.644 -9.345 -11.457 1.00 0.00 C ATOM 795 CD GLN A 56 -6.930 -10.334 -12.590 1.00 0.00 C ATOM 796 OE1 GLN A 56 -6.541 -11.483 -12.520 1.00 0.00 O ATOM 797 NE2 GLN A 56 -7.597 -9.933 -13.637 1.00 0.00 N ATOM 0 H GLN A 56 -2.807 -8.118 -11.778 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.397 -7.753 -13.130 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.583 -9.857 -11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.811 -8.945 -10.383 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.966 -9.764 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.211 -8.427 -11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.923 -8.968 -13.695 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.792 -10.584 -14.397 1.00 0.00 H new ATOM 806 N VAL A 57 -4.651 -6.184 -10.321 1.00 0.00 N ATOM 807 CA VAL A 57 -5.087 -5.028 -9.487 1.00 0.00 C ATOM 808 C VAL A 57 -4.928 -3.732 -10.276 1.00 0.00 C ATOM 809 O VAL A 57 -5.349 -2.681 -9.841 1.00 0.00 O ATOM 810 CB VAL A 57 -4.243 -4.954 -8.217 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.377 -6.269 -7.454 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.775 -4.718 -8.588 1.00 0.00 C ATOM 0 H VAL A 57 -3.786 -6.634 -10.023 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.134 -5.163 -9.217 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.589 -4.131 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.777 -6.225 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.422 -6.432 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.028 -7.090 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.174 -4.665 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.421 -5.539 -9.211 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.685 -3.781 -9.138 1.00 0.00 H new ATOM 822 N ILE A 58 -4.319 -3.788 -11.431 1.00 0.00 N ATOM 823 CA ILE A 58 -4.148 -2.550 -12.230 1.00 0.00 C ATOM 824 C ILE A 58 -5.525 -2.105 -12.730 1.00 0.00 C ATOM 825 O ILE A 58 -6.225 -2.838 -13.401 1.00 0.00 O ATOM 826 CB ILE A 58 -3.158 -2.834 -13.386 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.847 -2.118 -13.075 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.681 -2.339 -14.747 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.816 -2.439 -14.159 1.00 0.00 C ATOM 0 H ILE A 58 -3.936 -4.635 -11.850 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.730 -1.739 -11.634 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.025 -3.913 -13.460 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.012 -1.042 -13.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.473 -2.430 -12.100 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.948 -2.563 -15.522 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.620 -2.840 -14.980 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.845 -1.262 -14.704 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.119 -1.926 -13.935 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.642 -3.515 -14.189 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.190 -2.105 -15.127 1.00 0.00 H new ATOM 841 N GLY A 59 -5.916 -0.913 -12.391 1.00 0.00 N ATOM 842 CA GLY A 59 -7.251 -0.413 -12.824 1.00 0.00 C ATOM 843 C GLY A 59 -8.303 -0.790 -11.773 1.00 0.00 C ATOM 844 O GLY A 59 -9.397 -0.262 -11.761 1.00 0.00 O ATOM 0 H GLY A 59 -5.369 -0.259 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.222 0.669 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.516 -0.842 -13.790 1.00 0.00 H new ATOM 848 N LYS A 60 -7.980 -1.699 -10.889 1.00 0.00 N ATOM 849 CA LYS A 60 -8.955 -2.109 -9.842 1.00 0.00 C ATOM 850 C LYS A 60 -8.959 -1.073 -8.719 1.00 0.00 C ATOM 851 O LYS A 60 -7.938 -0.516 -8.371 1.00 0.00 O ATOM 852 CB LYS A 60 -8.547 -3.469 -9.263 1.00 0.00 C ATOM 853 CG LYS A 60 -8.195 -4.431 -10.400 1.00 0.00 C ATOM 854 CD LYS A 60 -9.394 -4.576 -11.340 1.00 0.00 C ATOM 855 CE LYS A 60 -8.979 -5.369 -12.581 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.085 -5.345 -13.579 1.00 0.00 N ATOM 0 H LYS A 60 -7.079 -2.175 -10.850 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.949 -2.181 -10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.692 -3.350 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.361 -3.879 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.331 -4.058 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.919 -5.404 -9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.211 -5.084 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.762 -3.592 -11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.075 -4.941 -13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.745 -6.398 -12.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.803 -5.884 -14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.937 -5.773 -13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.288 -4.361 -13.849 1.00 0.00 H new ATOM 870 N ASN A 61 -10.100 -0.818 -8.142 1.00 0.00 N ATOM 871 CA ASN A 61 -10.164 0.170 -7.035 1.00 0.00 C ATOM 872 C ASN A 61 -9.730 -0.513 -5.739 1.00 0.00 C ATOM 873 O ASN A 61 -10.371 -1.423 -5.261 1.00 0.00 O ATOM 874 CB ASN A 61 -11.596 0.682 -6.889 1.00 0.00 C ATOM 875 CG ASN A 61 -11.730 2.030 -7.598 1.00 0.00 C ATOM 876 OD1 ASN A 61 -12.309 2.956 -7.064 1.00 0.00 O ATOM 877 ND2 ASN A 61 -11.215 2.180 -8.787 1.00 0.00 N ATOM 0 H ASN A 61 -10.989 -1.252 -8.390 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.504 1.011 -7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.296 -0.037 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.850 0.787 -5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.298 3.075 -9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.729 1.402 -9.234 1.00 0.00 H new ATOM 884 N PHE A 62 -8.644 -0.091 -5.172 1.00 0.00 N ATOM 885 CA PHE A 62 -8.170 -0.729 -3.912 1.00 0.00 C ATOM 886 C PHE A 62 -9.218 -0.559 -2.813 1.00 0.00 C ATOM 887 O PHE A 62 -9.373 -1.402 -1.951 1.00 0.00 O ATOM 888 CB PHE A 62 -6.843 -0.064 -3.490 1.00 0.00 C ATOM 889 CG PHE A 62 -6.507 -0.355 -2.033 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.850 -1.582 -1.462 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.822 0.596 -1.270 1.00 0.00 C ATOM 892 CE1 PHE A 62 -6.517 -1.859 -0.135 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.495 0.321 0.064 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.845 -0.912 0.627 1.00 0.00 C ATOM 0 H PHE A 62 -8.060 0.668 -5.522 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.012 -1.795 -4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.036 -0.424 -4.129 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.912 1.013 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.375 -2.320 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.545 1.543 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.782 -2.811 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.974 1.058 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.592 -1.127 1.655 1.00 0.00 H new ATOM 904 N PHE A 63 -9.914 0.528 -2.808 1.00 0.00 N ATOM 905 CA PHE A 63 -10.891 0.736 -1.714 1.00 0.00 C ATOM 906 C PHE A 63 -12.309 0.339 -2.130 1.00 0.00 C ATOM 907 O PHE A 63 -13.266 0.667 -1.454 1.00 0.00 O ATOM 908 CB PHE A 63 -10.883 2.209 -1.305 1.00 0.00 C ATOM 909 CG PHE A 63 -9.665 2.486 -0.465 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.653 2.120 0.883 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.548 3.110 -1.034 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.527 2.377 1.668 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.418 3.366 -0.249 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.406 2.999 1.102 1.00 0.00 C ATOM 0 H PHE A 63 -9.854 1.274 -3.501 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.596 0.102 -0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.880 2.844 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.787 2.448 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.516 1.638 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.558 3.393 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.520 2.097 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.555 3.847 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.533 3.195 1.708 1.00 0.00 H new ATOM 924 N LYS A 64 -12.473 -0.354 -3.222 1.00 0.00 N ATOM 925 CA LYS A 64 -13.857 -0.737 -3.633 1.00 0.00 C ATOM 926 C LYS A 64 -13.895 -2.170 -4.177 1.00 0.00 C ATOM 927 O LYS A 64 -14.698 -2.976 -3.748 1.00 0.00 O ATOM 928 CB LYS A 64 -14.360 0.232 -4.706 1.00 0.00 C ATOM 929 CG LYS A 64 -15.506 1.073 -4.138 1.00 0.00 C ATOM 930 CD LYS A 64 -16.822 0.304 -4.272 1.00 0.00 C ATOM 931 CE LYS A 64 -17.059 -0.520 -3.004 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.511 -0.508 -2.665 1.00 0.00 N ATOM 0 H LYS A 64 -11.725 -0.668 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.501 -0.686 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.548 0.880 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.700 -0.322 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.315 1.307 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.572 2.022 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.648 0.998 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.787 -0.350 -5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.719 -1.544 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.479 -0.110 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.671 -1.068 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.822 0.471 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.054 -0.919 -3.451 1.00 0.00 H new ATOM 946 N ASP A 65 -13.072 -2.492 -5.137 1.00 0.00 N ATOM 947 CA ASP A 65 -13.118 -3.869 -5.710 1.00 0.00 C ATOM 948 C ASP A 65 -11.864 -4.681 -5.357 1.00 0.00 C ATOM 949 O ASP A 65 -11.607 -5.701 -5.969 1.00 0.00 O ATOM 950 CB ASP A 65 -13.236 -3.771 -7.233 1.00 0.00 C ATOM 951 CG ASP A 65 -14.711 -3.675 -7.626 1.00 0.00 C ATOM 952 OD1 ASP A 65 -15.447 -3.003 -6.923 1.00 0.00 O ATOM 953 OD2 ASP A 65 -15.079 -4.273 -8.623 1.00 0.00 O ATOM 0 H ASP A 65 -12.376 -1.869 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.980 -4.381 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.695 -2.897 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.780 -4.644 -7.700 1.00 0.00 H new ATOM 958 N VAL A 66 -11.077 -4.274 -4.391 1.00 0.00 N ATOM 959 CA VAL A 66 -9.874 -5.075 -4.056 1.00 0.00 C ATOM 960 C VAL A 66 -9.892 -5.421 -2.578 1.00 0.00 C ATOM 961 O VAL A 66 -9.736 -6.558 -2.182 1.00 0.00 O ATOM 962 CB VAL A 66 -8.628 -4.247 -4.309 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.405 -5.131 -4.216 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.651 -3.634 -5.694 1.00 0.00 C ATOM 0 H VAL A 66 -11.218 -3.433 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.872 -5.977 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.598 -3.455 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.511 -4.535 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.350 -5.573 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.471 -5.923 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.746 -3.046 -5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.700 -4.426 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.524 -2.988 -5.792 1.00 0.00 H new ATOM 974 N ALA A 67 -10.035 -4.422 -1.761 1.00 0.00 N ATOM 975 CA ALA A 67 -10.012 -4.642 -0.299 1.00 0.00 C ATOM 976 C ALA A 67 -11.354 -4.239 0.330 1.00 0.00 C ATOM 977 O ALA A 67 -11.604 -3.065 0.525 1.00 0.00 O ATOM 978 CB ALA A 67 -8.905 -3.774 0.274 1.00 0.00 C ATOM 0 H ALA A 67 -10.168 -3.453 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.840 -5.696 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.858 -3.910 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.952 -4.060 -0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.110 -2.727 0.049 1.00 0.00 H new ATOM 984 N PRO A 68 -12.177 -5.216 0.660 1.00 0.00 N ATOM 985 CA PRO A 68 -13.486 -4.952 1.287 1.00 0.00 C ATOM 986 C PRO A 68 -13.310 -4.573 2.765 1.00 0.00 C ATOM 987 O PRO A 68 -14.273 -4.342 3.470 1.00 0.00 O ATOM 988 CB PRO A 68 -14.230 -6.284 1.147 1.00 0.00 C ATOM 989 CG PRO A 68 -13.148 -7.373 0.971 1.00 0.00 C ATOM 990 CD PRO A 68 -11.890 -6.656 0.451 1.00 0.00 C ATOM 0 HA PRO A 68 -14.021 -4.122 0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.840 -6.482 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.904 -6.264 0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.945 -7.876 1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.478 -8.138 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.000 -6.968 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.712 -6.878 -0.601 1.00 0.00 H new ATOM 998 N CYS A 69 -12.093 -4.508 3.244 1.00 0.00 N ATOM 999 CA CYS A 69 -11.874 -4.147 4.669 1.00 0.00 C ATOM 1000 C CYS A 69 -11.217 -2.758 4.760 1.00 0.00 C ATOM 1001 O CYS A 69 -11.264 -2.107 5.785 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.978 -5.217 5.331 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.230 -4.966 4.902 1.00 0.00 S ATOM 0 H CYS A 69 -11.245 -4.690 2.707 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.829 -4.110 5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.099 -5.177 6.414 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.295 -6.210 5.011 1.00 0.00 H new ATOM 1008 N THR A 70 -10.590 -2.310 3.702 1.00 0.00 N ATOM 1009 CA THR A 70 -9.922 -0.977 3.750 1.00 0.00 C ATOM 1010 C THR A 70 -10.944 0.138 3.492 1.00 0.00 C ATOM 1011 O THR A 70 -10.604 1.304 3.469 1.00 0.00 O ATOM 1012 CB THR A 70 -8.810 -0.927 2.693 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.360 -1.192 1.410 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.753 -1.984 3.023 1.00 0.00 C ATOM 0 H THR A 70 -10.513 -2.806 2.814 1.00 0.00 H new ATOM 0 HA THR A 70 -9.489 -0.828 4.739 1.00 0.00 H new ATOM 0 HB THR A 70 -8.352 0.062 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.571 -0.346 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.961 -1.952 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.331 -1.781 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.214 -2.972 3.022 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.194 -0.202 3.309 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.221 0.850 3.068 1.00 0.00 C ATOM 1024 C ASP A 71 -13.779 1.328 4.411 1.00 0.00 C ATOM 1025 O ASP A 71 -14.954 1.201 4.687 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.356 0.271 2.222 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.009 1.391 1.409 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.288 2.088 0.715 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.217 1.534 1.498 1.00 0.00 O ATOM 0 H ASP A 71 -12.545 -1.160 3.316 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.768 1.689 2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.970 -0.500 1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.096 -0.206 2.865 1.00 0.00 H new ATOM 1034 N SER A 72 -12.943 1.878 5.249 1.00 0.00 N ATOM 1035 CA SER A 72 -13.424 2.363 6.573 1.00 0.00 C ATOM 1036 C SER A 72 -12.812 3.743 6.858 1.00 0.00 C ATOM 1037 O SER A 72 -12.030 4.233 6.069 1.00 0.00 O ATOM 1038 CB SER A 72 -12.999 1.377 7.661 1.00 0.00 C ATOM 1039 OG SER A 72 -12.562 0.165 7.058 1.00 0.00 O ATOM 0 H SER A 72 -11.947 2.012 5.073 1.00 0.00 H new ATOM 0 HA SER A 72 -14.511 2.442 6.564 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.198 1.806 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.833 1.180 8.335 1.00 0.00 H new ATOM 0 HG SER A 72 -11.771 -0.169 7.531 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.186 4.338 7.977 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.679 5.667 8.371 1.00 0.00 C ATOM 1047 C PRO A 73 -11.271 5.566 8.974 1.00 0.00 C ATOM 1048 O PRO A 73 -10.692 6.553 9.383 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.685 6.139 9.423 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.360 4.867 9.987 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.141 3.752 8.947 1.00 0.00 C ATOM 0 HA PRO A 73 -12.592 6.350 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.185 6.697 10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.424 6.807 8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.925 4.591 10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.424 5.036 10.156 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.736 2.851 9.409 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.076 3.470 8.463 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.711 4.387 9.034 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.348 4.242 9.605 1.00 0.00 C ATOM 1061 C GLU A 74 -8.358 3.952 8.478 1.00 0.00 C ATOM 1062 O GLU A 74 -7.195 4.288 8.554 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.329 3.093 10.605 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.463 3.273 11.617 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.884 3.714 12.962 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -8.845 4.353 12.957 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -10.491 3.408 13.976 1.00 0.00 O ATOM 0 H GLU A 74 -11.142 3.520 8.711 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.067 5.165 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.441 2.142 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.369 3.063 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.173 4.016 11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.011 2.338 11.734 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.820 3.342 7.425 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.923 3.048 6.275 1.00 0.00 C ATOM 1076 C PHE A 75 -8.224 4.082 5.189 1.00 0.00 C ATOM 1077 O PHE A 75 -7.442 4.986 4.937 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.199 1.635 5.752 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.957 1.100 5.081 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.437 1.754 3.960 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.323 -0.046 5.580 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.287 1.265 3.335 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.168 -0.534 4.953 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.652 0.121 3.830 1.00 0.00 C ATOM 0 H PHE A 75 -9.785 3.033 7.310 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.876 3.100 6.573 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.493 0.982 6.574 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.029 1.652 5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.925 2.638 3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.723 -0.552 6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.888 1.771 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.677 -1.416 5.337 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.764 -0.256 3.345 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.374 3.996 4.576 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.727 5.008 3.550 1.00 0.00 C ATOM 1096 C TYR A 76 -10.028 6.326 4.263 1.00 0.00 C ATOM 1097 O TYR A 76 -10.043 7.368 3.657 1.00 0.00 O ATOM 1098 CB TYR A 76 -10.956 4.561 2.757 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.075 5.415 1.516 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -9.990 5.522 0.635 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.263 6.105 1.249 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.095 6.319 -0.513 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.369 6.900 0.101 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.285 7.007 -0.779 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.388 7.792 -1.908 1.00 0.00 O ATOM 0 H TYR A 76 -10.076 3.275 4.742 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.897 5.130 2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.866 3.510 2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.854 4.656 3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.073 4.990 0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.098 6.024 1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.259 6.402 -1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.287 7.431 -0.106 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.279 8.199 -1.944 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.263 6.283 5.553 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.540 7.534 6.313 1.00 0.00 C ATOM 1117 C GLY A 77 -9.312 8.436 6.274 1.00 0.00 C ATOM 1118 O GLY A 77 -9.355 9.549 5.787 1.00 0.00 O ATOM 0 H GLY A 77 -10.274 5.429 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.398 8.051 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.796 7.296 7.345 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.215 7.961 6.797 1.00 0.00 N ATOM 1123 CA LYS A 78 -6.975 8.790 6.806 1.00 0.00 C ATOM 1124 C LYS A 78 -6.536 9.059 5.374 1.00 0.00 C ATOM 1125 O LYS A 78 -5.750 9.942 5.116 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.868 8.063 7.581 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.453 7.366 8.825 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.568 8.216 9.456 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.569 8.018 10.974 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.170 9.286 11.646 1.00 0.00 N ATOM 0 H LYS A 78 -8.123 7.036 7.218 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.174 9.741 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.387 7.327 6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.099 8.774 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.848 6.389 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.663 7.194 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.416 9.269 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.535 7.931 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.560 7.713 11.310 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.880 7.218 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.172 9.148 12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.216 9.559 11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.844 10.038 11.396 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.047 8.312 4.440 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.687 8.540 3.026 1.00 0.00 C ATOM 1146 C PHE A 79 -7.522 9.699 2.499 1.00 0.00 C ATOM 1147 O PHE A 79 -7.052 10.518 1.756 1.00 0.00 O ATOM 1148 CB PHE A 79 -6.994 7.272 2.240 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.865 7.499 0.746 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -7.879 8.174 0.051 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.751 7.010 0.050 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.777 8.356 -1.334 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.655 7.195 -1.327 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.664 7.861 -2.021 1.00 0.00 C ATOM 0 H PHE A 79 -7.704 7.548 4.602 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.629 8.780 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.314 6.478 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.004 6.935 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.738 8.553 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.968 6.490 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.556 8.877 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.794 6.820 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.586 7.995 -3.090 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.755 9.786 2.901 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.604 10.901 2.448 1.00 0.00 C ATOM 1166 C LYS A 80 -9.222 12.152 3.239 1.00 0.00 C ATOM 1167 O LYS A 80 -9.663 13.246 2.946 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.073 10.563 2.705 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.840 10.560 1.381 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.123 11.379 1.533 1.00 0.00 C ATOM 1171 CE LYS A 80 -14.080 10.652 2.478 1.00 0.00 C ATOM 1172 NZ LYS A 80 -15.467 11.156 2.265 1.00 0.00 N ATOM 0 H LYS A 80 -9.209 9.123 3.530 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.460 11.073 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.153 9.588 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.510 11.292 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.220 10.979 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.081 9.537 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.891 12.370 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.594 11.522 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.040 9.578 2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.778 10.813 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.118 10.662 2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.499 12.177 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.753 10.981 1.280 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.390 11.996 4.236 1.00 0.00 N ATOM 1187 CA GLU A 81 -7.962 13.172 5.043 1.00 0.00 C ATOM 1188 C GLU A 81 -6.632 13.664 4.489 1.00 0.00 C ATOM 1189 O GLU A 81 -6.391 14.847 4.353 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.797 12.761 6.509 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.033 11.978 6.960 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.746 12.747 8.073 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.497 13.654 7.754 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -9.529 12.416 9.227 1.00 0.00 O ATOM 0 H GLU A 81 -7.989 11.103 4.525 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.709 13.964 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.902 12.150 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.665 13.645 7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.708 11.827 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.741 10.990 7.316 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.777 12.745 4.147 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.456 13.120 3.571 1.00 0.00 C ATOM 1203 C GLY A 82 -4.690 13.705 2.182 1.00 0.00 C ATOM 1204 O GLY A 82 -4.063 14.662 1.781 1.00 0.00 O ATOM 0 H GLY A 82 -5.936 11.742 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.955 13.847 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.806 12.247 3.511 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.598 13.128 1.451 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.904 13.637 0.082 1.00 0.00 C ATOM 1210 C VAL A 83 -6.458 15.062 0.176 1.00 0.00 C ATOM 1211 O VAL A 83 -6.192 15.899 -0.663 1.00 0.00 O ATOM 1212 CB VAL A 83 -6.963 12.739 -0.565 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.288 13.248 -1.970 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.438 11.306 -0.654 1.00 0.00 C ATOM 0 H VAL A 83 -6.147 12.319 1.742 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.993 13.634 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.867 12.759 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.042 12.605 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.670 14.267 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.385 13.235 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.194 10.670 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.531 11.288 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.215 10.937 0.347 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.243 15.332 1.184 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.839 16.694 1.332 1.00 0.00 C ATOM 1226 C ALA A 84 -6.944 17.590 2.198 1.00 0.00 C ATOM 1227 O ALA A 84 -7.230 18.755 2.391 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.209 16.568 1.998 1.00 0.00 C ATOM 0 H ALA A 84 -7.499 14.667 1.914 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.933 17.144 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.652 17.558 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.858 15.948 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.095 16.108 2.980 1.00 0.00 H new ATOM 1234 N SER A 85 -5.872 17.068 2.730 1.00 0.00 N ATOM 1235 CA SER A 85 -4.988 17.915 3.584 1.00 0.00 C ATOM 1236 C SER A 85 -3.702 18.264 2.828 1.00 0.00 C ATOM 1237 O SER A 85 -3.001 19.193 3.178 1.00 0.00 O ATOM 1238 CB SER A 85 -4.632 17.151 4.861 1.00 0.00 C ATOM 1239 OG SER A 85 -4.153 18.066 5.836 1.00 0.00 O ATOM 0 H SER A 85 -5.571 16.101 2.612 1.00 0.00 H new ATOM 0 HA SER A 85 -5.514 18.835 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.508 16.624 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.873 16.398 4.649 1.00 0.00 H new ATOM 0 HG SER A 85 -3.925 17.581 6.656 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.383 17.530 1.799 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.142 17.823 1.028 1.00 0.00 C ATOM 1247 C GLY A 86 -0.927 17.262 1.774 1.00 0.00 C ATOM 1248 O GLY A 86 0.194 17.666 1.539 1.00 0.00 O ATOM 0 H GLY A 86 -3.929 16.739 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.207 17.381 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.032 18.899 0.892 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.137 16.333 2.672 1.00 0.00 N ATOM 1253 CA ASN A 87 0.014 15.756 3.426 1.00 0.00 C ATOM 1254 C ASN A 87 -0.361 14.371 3.956 1.00 0.00 C ATOM 1255 O ASN A 87 -0.288 14.104 5.139 1.00 0.00 O ATOM 1256 CB ASN A 87 0.369 16.672 4.597 1.00 0.00 C ATOM 1257 CG ASN A 87 1.438 17.672 4.153 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.546 17.292 3.828 1.00 0.00 O ATOM 1259 ND2 ASN A 87 1.151 18.945 4.125 1.00 0.00 N ATOM 0 H ASN A 87 -2.051 15.951 2.914 1.00 0.00 H new ATOM 0 HA ASN A 87 0.873 15.668 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.519 17.201 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.734 16.082 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.856 19.620 3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.221 19.264 4.398 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.765 13.492 3.086 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.149 12.121 3.525 1.00 0.00 C ATOM 1268 C LEU A 88 -0.005 11.484 4.316 1.00 0.00 C ATOM 1269 O LEU A 88 1.090 11.309 3.819 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.460 11.256 2.301 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.419 10.137 2.702 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.393 9.864 1.555 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.621 8.867 3.009 1.00 0.00 C ATOM 0 H LEU A 88 -0.847 13.663 2.084 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.032 12.188 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.904 11.866 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.540 10.834 1.897 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.978 10.438 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.077 9.065 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.961 10.768 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.835 9.563 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.305 8.068 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.061 8.566 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.928 9.062 3.827 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.261 11.130 5.543 1.00 0.00 N ATOM 1286 CA ASN A 89 0.792 10.494 6.381 1.00 0.00 C ATOM 1287 C ASN A 89 0.116 9.764 7.537 1.00 0.00 C ATOM 1288 O ASN A 89 0.004 10.285 8.630 1.00 0.00 O ATOM 1289 CB ASN A 89 1.731 11.569 6.935 1.00 0.00 C ATOM 1290 CG ASN A 89 0.916 12.625 7.682 1.00 0.00 C ATOM 1291 OD1 ASN A 89 -0.294 12.665 7.575 1.00 0.00 O ATOM 1292 ND2 ASN A 89 1.532 13.487 8.443 1.00 0.00 N ATOM 0 H ASN A 89 -1.162 11.255 6.005 1.00 0.00 H new ATOM 0 HA ASN A 89 1.371 9.792 5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.462 11.117 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.289 12.033 6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 89 0.998 14.194 8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.547 13.454 8.533 1.00 0.00 H new ATOM 1299 N THR A 90 -0.354 8.568 7.308 1.00 0.00 N ATOM 1300 CA THR A 90 -1.038 7.828 8.406 1.00 0.00 C ATOM 1301 C THR A 90 -0.438 6.432 8.563 1.00 0.00 C ATOM 1302 O THR A 90 0.232 5.923 7.686 1.00 0.00 O ATOM 1303 CB THR A 90 -2.531 7.708 8.087 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.175 6.977 9.121 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.717 6.980 6.755 1.00 0.00 C ATOM 0 H THR A 90 -0.295 8.075 6.417 1.00 0.00 H new ATOM 0 HA THR A 90 -0.902 8.377 9.338 1.00 0.00 H new ATOM 0 HB THR A 90 -2.968 8.704 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.840 6.373 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.781 6.897 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.222 7.541 5.962 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.281 5.983 6.821 1.00 0.00 H new ATOM 1313 N MET A 91 -0.681 5.814 9.685 1.00 0.00 N ATOM 1314 CA MET A 91 -0.142 4.449 9.931 1.00 0.00 C ATOM 1315 C MET A 91 -1.046 3.747 10.943 1.00 0.00 C ATOM 1316 O MET A 91 -1.642 4.377 11.794 1.00 0.00 O ATOM 1317 CB MET A 91 1.287 4.562 10.483 1.00 0.00 C ATOM 1318 CG MET A 91 1.785 3.195 10.971 1.00 0.00 C ATOM 1319 SD MET A 91 1.776 3.162 12.782 1.00 0.00 S ATOM 1320 CE MET A 91 1.404 1.401 12.975 1.00 0.00 C ATOM 0 H MET A 91 -1.235 6.201 10.449 1.00 0.00 H new ATOM 0 HA MET A 91 -0.116 3.874 9.005 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.953 4.943 9.709 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.310 5.278 11.304 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.148 2.402 10.579 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.792 3.008 10.598 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.354 1.278 13.242 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.603 0.882 12.037 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.031 0.981 13.762 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.164 2.453 10.855 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.043 1.738 11.816 1.00 0.00 C ATOM 1332 C PHE A 92 -1.898 0.229 11.649 1.00 0.00 C ATOM 1333 O PHE A 92 -1.653 -0.264 10.572 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.492 2.139 11.559 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.818 1.972 10.093 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.989 0.694 9.551 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -3.971 3.101 9.280 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.316 0.546 8.197 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.294 2.952 7.926 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.470 1.673 7.388 1.00 0.00 C ATOM 0 H PHE A 92 -0.695 1.865 10.166 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.754 2.007 12.832 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.161 1.525 12.162 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.651 3.174 11.861 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.869 -0.178 10.176 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.840 4.088 9.698 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.449 -0.441 7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.407 3.823 7.298 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.725 1.557 6.345 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.065 -0.509 12.708 1.00 0.00 N ATOM 1351 CA GLU A 93 -1.952 -1.989 12.612 1.00 0.00 C ATOM 1352 C GLU A 93 -3.261 -2.537 12.051 1.00 0.00 C ATOM 1353 O GLU A 93 -4.277 -2.549 12.718 1.00 0.00 O ATOM 1354 CB GLU A 93 -1.702 -2.580 14.002 1.00 0.00 C ATOM 1355 CG GLU A 93 -2.847 -2.192 14.941 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.276 -1.739 16.284 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.802 -2.589 17.020 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -2.321 -0.550 16.555 1.00 0.00 O ATOM 0 H GLU A 93 -2.276 -0.150 13.639 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.121 -2.258 11.960 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.624 -3.665 13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.754 -2.215 14.398 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.439 -1.392 14.498 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.516 -3.041 15.086 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.256 -2.976 10.825 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.513 -3.501 10.234 1.00 0.00 C ATOM 1367 C TYR A 94 -4.475 -5.024 10.194 1.00 0.00 C ATOM 1368 O TYR A 94 -3.472 -5.650 10.474 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.680 -2.958 8.814 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.119 -2.548 8.601 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.599 -1.359 9.165 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -6.974 -3.356 7.841 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -7.931 -0.979 8.968 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.307 -2.975 7.645 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.786 -1.787 8.209 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.100 -1.412 8.015 1.00 0.00 O ATOM 0 H TYR A 94 -2.441 -2.994 10.211 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.354 -3.180 10.848 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.020 -2.104 8.659 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.395 -3.718 8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.941 -0.736 9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.605 -4.273 7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.300 -0.061 9.402 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.966 -3.598 7.058 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.325 -1.488 7.064 1.00 0.00 H new ATOM 1386 N THR A 95 -5.572 -5.616 9.832 1.00 0.00 N ATOM 1387 CA THR A 95 -5.650 -7.096 9.744 1.00 0.00 C ATOM 1388 C THR A 95 -6.527 -7.443 8.549 1.00 0.00 C ATOM 1389 O THR A 95 -7.722 -7.221 8.561 1.00 0.00 O ATOM 1390 CB THR A 95 -6.273 -7.663 11.022 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.448 -7.344 12.132 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.399 -9.182 10.895 1.00 0.00 C ATOM 0 H THR A 95 -6.434 -5.129 9.589 1.00 0.00 H new ATOM 0 HA THR A 95 -4.654 -7.523 9.627 1.00 0.00 H new ATOM 0 HB THR A 95 -7.262 -7.229 11.170 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.847 -7.705 12.951 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.843 -9.588 11.804 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.033 -9.424 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.411 -9.618 10.748 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.950 -7.964 7.508 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.768 -8.292 6.308 1.00 0.00 C ATOM 1402 C PHE A 96 -7.486 -9.628 6.508 1.00 0.00 C ATOM 1403 O PHE A 96 -6.872 -10.670 6.617 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.871 -8.356 5.068 1.00 0.00 C ATOM 1405 CG PHE A 96 -5.173 -7.025 4.862 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.835 -5.820 5.149 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.859 -6.996 4.378 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.184 -4.596 4.952 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.209 -5.770 4.181 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.872 -4.571 4.469 1.00 0.00 C ATOM 0 H PHE A 96 -4.955 -8.177 7.433 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.516 -7.512 6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.132 -9.149 5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.468 -8.603 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.848 -5.837 5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.346 -7.920 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.695 -3.671 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.196 -5.750 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.370 -3.627 4.318 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.791 -9.594 6.545 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.575 -10.846 6.724 1.00 0.00 C ATOM 1422 C ASP A 97 -10.631 -10.917 5.624 1.00 0.00 C ATOM 1423 O ASP A 97 -11.768 -11.276 5.855 1.00 0.00 O ATOM 1424 CB ASP A 97 -10.257 -10.843 8.094 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.216 -12.255 8.684 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.166 -12.872 8.618 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -11.236 -12.694 9.191 1.00 0.00 O ATOM 0 H ASP A 97 -9.350 -8.745 6.458 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.913 -11.710 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.754 -10.143 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.289 -10.507 7.998 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.252 -10.564 4.429 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.209 -10.591 3.283 1.00 0.00 C ATOM 1434 C TYR A 98 -11.394 -12.033 2.782 1.00 0.00 C ATOM 1435 O TYR A 98 -10.820 -12.430 1.798 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.665 -9.713 2.138 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.270 -10.149 1.682 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.612 -11.250 2.259 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.633 -9.429 0.659 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.344 -11.620 1.818 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.353 -9.808 0.222 1.00 0.00 C ATOM 1442 CZ TYR A 98 -6.716 -10.903 0.806 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.465 -11.280 0.391 1.00 0.00 O ATOM 0 H TYR A 98 -9.310 -10.254 4.192 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.173 -10.205 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.351 -9.757 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.629 -8.674 2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -9.092 -11.811 3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.128 -8.582 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.846 -12.468 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.863 -9.253 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.485 -11.480 -0.568 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.188 -12.806 3.469 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.431 -14.233 3.075 1.00 0.00 C ATOM 1455 C GLN A 99 -11.099 -14.977 2.930 1.00 0.00 C ATOM 1456 O GLN A 99 -10.930 -15.811 2.063 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.249 -14.306 1.764 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.397 -13.942 0.535 1.00 0.00 C ATOM 1459 CD GLN A 99 -12.919 -14.695 -0.690 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -12.156 -15.307 -1.412 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.195 -14.674 -0.958 1.00 0.00 N ATOM 0 H GLN A 99 -12.691 -12.508 4.305 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.012 -14.717 3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.651 -15.312 1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.100 -13.629 1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.436 -12.867 0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.353 -14.198 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.835 -14.160 -0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.553 -15.171 -1.774 1.00 0.00 H new ATOM 1470 N MET A 100 -10.155 -14.688 3.783 1.00 0.00 N ATOM 1471 CA MET A 100 -8.838 -15.378 3.702 1.00 0.00 C ATOM 1472 C MET A 100 -8.236 -15.466 5.101 1.00 0.00 C ATOM 1473 O MET A 100 -8.816 -15.015 6.068 1.00 0.00 O ATOM 1474 CB MET A 100 -7.897 -14.566 2.810 1.00 0.00 C ATOM 1475 CG MET A 100 -6.882 -15.489 2.130 1.00 0.00 C ATOM 1476 SD MET A 100 -6.581 -14.913 0.438 1.00 0.00 S ATOM 1477 CE MET A 100 -5.080 -13.950 0.769 1.00 0.00 C ATOM 0 H MET A 100 -10.240 -14.003 4.534 1.00 0.00 H new ATOM 0 HA MET A 100 -8.972 -16.377 3.288 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.473 -14.029 2.056 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.376 -13.817 3.406 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.949 -15.499 2.694 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.257 -16.512 2.116 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.794 -13.402 -0.129 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.271 -13.245 1.578 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.272 -14.623 1.057 1.00 0.00 H new ATOM 1487 N THR A 101 -7.068 -16.028 5.217 1.00 0.00 N ATOM 1488 CA THR A 101 -6.422 -16.126 6.553 1.00 0.00 C ATOM 1489 C THR A 101 -6.303 -14.714 7.148 1.00 0.00 C ATOM 1490 O THR A 101 -6.167 -13.759 6.412 1.00 0.00 O ATOM 1491 CB THR A 101 -5.027 -16.737 6.388 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.364 -16.761 7.642 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.212 -15.899 5.401 1.00 0.00 C ATOM 0 H THR A 101 -6.532 -16.424 4.445 1.00 0.00 H new ATOM 0 HA THR A 101 -7.016 -16.754 7.217 1.00 0.00 H new ATOM 0 HB THR A 101 -5.125 -17.754 6.009 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.473 -17.154 7.533 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.220 -16.336 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.716 -15.883 4.435 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.118 -14.881 5.779 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.359 -14.611 8.459 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.259 -13.305 9.135 1.00 0.00 C ATOM 1503 C PRO A 102 -4.821 -12.781 9.075 1.00 0.00 C ATOM 1504 O PRO A 102 -4.031 -12.987 9.976 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.701 -13.604 10.573 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.504 -15.122 10.785 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.517 -15.761 9.384 1.00 0.00 C ATOM 0 HA PRO A 102 -6.871 -12.530 8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.109 -13.032 11.288 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.743 -13.323 10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.562 -15.324 11.295 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.299 -15.534 11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.707 -16.481 9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.448 -16.296 9.199 1.00 0.00 H new ATOM 1515 N THR A 103 -4.480 -12.103 8.009 1.00 0.00 N ATOM 1516 CA THR A 103 -3.098 -11.558 7.865 1.00 0.00 C ATOM 1517 C THR A 103 -2.942 -10.323 8.753 1.00 0.00 C ATOM 1518 O THR A 103 -3.838 -9.514 8.879 1.00 0.00 O ATOM 1519 CB THR A 103 -2.853 -11.168 6.393 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.720 -12.348 5.612 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.575 -10.320 6.259 1.00 0.00 C ATOM 0 H THR A 103 -5.104 -11.903 7.228 1.00 0.00 H new ATOM 0 HA THR A 103 -2.374 -12.315 8.167 1.00 0.00 H new ATOM 0 HB THR A 103 -3.700 -10.579 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.566 -12.105 4.675 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.421 -10.056 5.213 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.678 -9.411 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.719 -10.892 6.618 1.00 0.00 H new ATOM 1529 N LYS A 104 -1.794 -10.162 9.344 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.557 -8.969 10.195 1.00 0.00 C ATOM 1531 C LYS A 104 -0.461 -8.131 9.543 1.00 0.00 C ATOM 1532 O LYS A 104 0.531 -8.656 9.077 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.099 -9.402 11.591 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.484 -8.328 12.610 1.00 0.00 C ATOM 1535 CD LYS A 104 -1.984 -8.989 13.895 1.00 0.00 C ATOM 1536 CE LYS A 104 -1.291 -8.351 15.101 1.00 0.00 C ATOM 1537 NZ LYS A 104 -1.973 -7.071 15.449 1.00 0.00 N ATOM 0 H LYS A 104 -1.008 -10.808 9.274 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.477 -8.393 10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.560 -10.353 11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.020 -9.557 11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.624 -7.694 12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.259 -7.683 12.197 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.064 -8.873 13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.780 -10.059 13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.318 -9.032 15.951 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.241 -8.166 14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.501 -6.638 16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.925 -6.421 14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.969 -7.260 15.683 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.627 -6.842 9.491 1.00 0.00 N ATOM 1552 CA VAL A 105 0.416 -5.994 8.852 1.00 0.00 C ATOM 1553 C VAL A 105 0.404 -4.601 9.476 1.00 0.00 C ATOM 1554 O VAL A 105 -0.642 -4.053 9.758 1.00 0.00 O ATOM 1555 CB VAL A 105 0.101 -5.841 7.358 1.00 0.00 C ATOM 1556 CG1 VAL A 105 0.038 -7.217 6.696 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.254 -5.141 7.181 1.00 0.00 C ATOM 0 H VAL A 105 -1.434 -6.340 9.861 1.00 0.00 H new ATOM 0 HA VAL A 105 1.388 -6.465 8.996 1.00 0.00 H new ATOM 0 HB VAL A 105 0.887 -5.246 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.186 -7.101 5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.998 -7.720 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.743 -7.813 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.473 -5.035 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.035 -5.735 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.217 -4.155 7.644 1.00 0.00 H new ATOM 1567 N LYS A 106 1.542 -3.991 9.615 1.00 0.00 N ATOM 1568 CA LYS A 106 1.555 -2.598 10.131 1.00 0.00 C ATOM 1569 C LYS A 106 1.570 -1.730 8.882 1.00 0.00 C ATOM 1570 O LYS A 106 2.512 -1.739 8.130 1.00 0.00 O ATOM 1571 CB LYS A 106 2.784 -2.325 11.017 1.00 0.00 C ATOM 1572 CG LYS A 106 4.069 -2.728 10.296 1.00 0.00 C ATOM 1573 CD LYS A 106 4.672 -3.961 10.973 1.00 0.00 C ATOM 1574 CE LYS A 106 5.171 -3.587 12.371 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.394 -2.743 12.256 1.00 0.00 N ATOM 0 H LYS A 106 2.455 -4.390 9.397 1.00 0.00 H new ATOM 0 HA LYS A 106 0.695 -2.394 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.823 -1.267 11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.696 -2.880 11.951 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.858 -2.942 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.783 -1.904 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.925 -4.752 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.495 -4.351 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.394 -3.048 12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.391 -4.488 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.902 -2.742 13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.013 -3.128 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.122 -1.770 12.010 1.00 0.00 H new ATOM 1589 N VAL A 107 0.496 -1.057 8.607 1.00 0.00 N ATOM 1590 CA VAL A 107 0.415 -0.261 7.343 1.00 0.00 C ATOM 1591 C VAL A 107 1.125 1.083 7.497 1.00 0.00 C ATOM 1592 O VAL A 107 1.339 1.585 8.584 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.093 -0.036 6.935 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.994 -1.081 7.586 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.605 1.372 7.317 1.00 0.00 C ATOM 0 H VAL A 107 -0.334 -1.019 9.198 1.00 0.00 H new ATOM 0 HA VAL A 107 0.916 -0.823 6.555 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.132 -0.133 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.028 -0.905 7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.689 -2.076 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.910 -1.009 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.647 1.475 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.525 1.508 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.004 2.127 6.811 1.00 0.00 H new ATOM 1605 N HIS A 108 1.413 1.682 6.379 1.00 0.00 N ATOM 1606 CA HIS A 108 2.038 3.034 6.363 1.00 0.00 C ATOM 1607 C HIS A 108 1.823 3.639 4.976 1.00 0.00 C ATOM 1608 O HIS A 108 2.501 3.293 4.035 1.00 0.00 O ATOM 1609 CB HIS A 108 3.530 2.952 6.669 1.00 0.00 C ATOM 1610 CG HIS A 108 3.960 4.253 7.290 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.133 4.376 8.018 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.373 5.496 7.309 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.215 5.651 8.441 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.169 6.376 8.037 1.00 0.00 N ATOM 0 H HIS A 108 1.239 1.285 5.456 1.00 0.00 H new ATOM 0 HA HIS A 108 1.578 3.657 7.130 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.733 2.123 7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.094 2.763 5.756 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.438 5.751 6.832 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.028 6.041 9.035 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.991 7.363 8.222 1.00 0.00 H new ATOM 1622 N MET A 109 0.867 4.519 4.839 1.00 0.00 N ATOM 1623 CA MET A 109 0.583 5.128 3.498 1.00 0.00 C ATOM 1624 C MET A 109 0.934 6.620 3.534 1.00 0.00 C ATOM 1625 O MET A 109 0.766 7.264 4.552 1.00 0.00 O ATOM 1626 CB MET A 109 -0.916 4.982 3.165 1.00 0.00 C ATOM 1627 CG MET A 109 -1.550 3.807 3.936 1.00 0.00 C ATOM 1628 SD MET A 109 -3.326 3.752 3.587 1.00 0.00 S ATOM 1629 CE MET A 109 -3.860 4.840 4.932 1.00 0.00 C ATOM 0 H MET A 109 0.267 4.846 5.597 1.00 0.00 H new ATOM 0 HA MET A 109 1.180 4.619 2.741 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.438 5.906 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.039 4.825 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.081 2.868 3.642 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.381 3.926 5.006 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.923 4.689 5.122 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.293 4.609 5.834 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.686 5.879 4.651 1.00 0.00 H new ATOM 1639 N LYS A 110 1.410 7.198 2.448 1.00 0.00 N ATOM 1640 CA LYS A 110 1.737 8.659 2.505 1.00 0.00 C ATOM 1641 C LYS A 110 1.353 9.327 1.185 1.00 0.00 C ATOM 1642 O LYS A 110 0.875 8.688 0.279 1.00 0.00 O ATOM 1643 CB LYS A 110 3.235 8.832 2.763 1.00 0.00 C ATOM 1644 CG LYS A 110 3.473 10.025 3.690 1.00 0.00 C ATOM 1645 CD LYS A 110 4.947 10.068 4.093 1.00 0.00 C ATOM 1646 CE LYS A 110 5.058 10.204 5.613 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.343 10.875 5.958 1.00 0.00 N ATOM 0 H LYS A 110 1.580 6.736 1.555 1.00 0.00 H new ATOM 0 HA LYS A 110 1.175 9.128 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.642 7.926 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.759 8.984 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.195 10.951 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.844 9.942 4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.452 9.161 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.444 10.907 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.218 10.782 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.011 9.221 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.420 10.968 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.138 10.307 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.370 11.819 5.523 1.00 0.00 H new ATOM 1661 N LYS A 111 1.551 10.612 1.068 1.00 0.00 N ATOM 1662 CA LYS A 111 1.187 11.300 -0.202 1.00 0.00 C ATOM 1663 C LYS A 111 2.352 11.194 -1.180 1.00 0.00 C ATOM 1664 O LYS A 111 3.337 11.896 -1.070 1.00 0.00 O ATOM 1665 CB LYS A 111 0.883 12.771 0.075 1.00 0.00 C ATOM 1666 CG LYS A 111 0.559 13.487 -1.240 1.00 0.00 C ATOM 1667 CD LYS A 111 1.563 14.618 -1.469 1.00 0.00 C ATOM 1668 CE LYS A 111 1.051 15.538 -2.578 1.00 0.00 C ATOM 1669 NZ LYS A 111 2.148 15.807 -3.549 1.00 0.00 N ATOM 0 H LYS A 111 1.947 11.211 1.792 1.00 0.00 H new ATOM 0 HA LYS A 111 0.303 10.828 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.042 12.855 0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.738 13.245 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.596 12.781 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.454 13.887 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.705 15.184 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.534 14.206 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.206 15.075 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.692 16.474 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.799 16.433 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.942 16.266 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.471 14.910 -3.965 1.00 0.00 H new ATOM 1683 N ALA A 112 2.245 10.320 -2.137 1.00 0.00 N ATOM 1684 CA ALA A 112 3.340 10.158 -3.131 1.00 0.00 C ATOM 1685 C ALA A 112 3.710 11.522 -3.723 1.00 0.00 C ATOM 1686 O ALA A 112 2.853 12.290 -4.115 1.00 0.00 O ATOM 1687 CB ALA A 112 2.862 9.227 -4.239 1.00 0.00 C ATOM 0 H ALA A 112 1.442 9.707 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 112 4.220 9.735 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.656 9.100 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.603 8.258 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.985 9.657 -4.722 1.00 0.00 H new ATOM 1693 N LEU A 113 4.977 11.832 -3.788 1.00 0.00 N ATOM 1694 CA LEU A 113 5.393 13.148 -4.354 1.00 0.00 C ATOM 1695 C LEU A 113 5.889 12.953 -5.787 1.00 0.00 C ATOM 1696 O LEU A 113 5.720 13.808 -6.635 1.00 0.00 O ATOM 1697 CB LEU A 113 6.519 13.745 -3.506 1.00 0.00 C ATOM 1698 CG LEU A 113 6.174 13.608 -2.023 1.00 0.00 C ATOM 1699 CD1 LEU A 113 6.909 12.400 -1.439 1.00 0.00 C ATOM 1700 CD2 LEU A 113 6.605 14.876 -1.280 1.00 0.00 C ATOM 0 H LEU A 113 5.740 11.233 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 113 4.539 13.825 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.458 13.235 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.662 14.795 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 113 5.099 13.469 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.664 12.301 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.603 11.497 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.984 12.539 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.359 14.779 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.680 15.015 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.082 15.737 -1.697 1.00 0.00 H new ATOM 1712 N SER A 114 6.500 11.834 -6.068 1.00 0.00 N ATOM 1713 CA SER A 114 7.004 11.585 -7.447 1.00 0.00 C ATOM 1714 C SER A 114 5.859 11.770 -8.445 1.00 0.00 C ATOM 1715 O SER A 114 6.006 12.418 -9.462 1.00 0.00 O ATOM 1716 CB SER A 114 7.542 10.156 -7.542 1.00 0.00 C ATOM 1717 OG SER A 114 6.545 9.248 -7.095 1.00 0.00 O ATOM 0 H SER A 114 6.672 11.082 -5.401 1.00 0.00 H new ATOM 0 HA SER A 114 7.804 12.288 -7.677 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.823 9.928 -8.570 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.442 10.053 -6.936 1.00 0.00 H new ATOM 0 HG SER A 114 6.827 8.330 -7.291 1.00 0.00 H new ATOM 1723 N GLY A 115 4.716 11.211 -8.158 1.00 0.00 N ATOM 1724 CA GLY A 115 3.560 11.362 -9.087 1.00 0.00 C ATOM 1725 C GLY A 115 2.598 10.183 -8.921 1.00 0.00 C ATOM 1726 O GLY A 115 2.054 9.677 -9.883 1.00 0.00 O ATOM 0 H GLY A 115 4.532 10.657 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.040 12.298 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 115 3.914 11.411 -10.117 1.00 0.00 H new ATOM 1730 N ASP A 116 2.374 9.743 -7.711 1.00 0.00 N ATOM 1731 CA ASP A 116 1.438 8.599 -7.498 1.00 0.00 C ATOM 1732 C ASP A 116 0.230 9.073 -6.678 1.00 0.00 C ATOM 1733 O ASP A 116 -0.779 8.401 -6.613 1.00 0.00 O ATOM 1734 CB ASP A 116 2.143 7.445 -6.763 1.00 0.00 C ATOM 1735 CG ASP A 116 3.648 7.449 -7.060 1.00 0.00 C ATOM 1736 OD1 ASP A 116 4.006 7.704 -8.198 1.00 0.00 O ATOM 1737 OD2 ASP A 116 4.412 7.195 -6.145 1.00 0.00 O ATOM 0 H ASP A 116 2.796 10.124 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 116 1.105 8.235 -8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.979 7.538 -5.689 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.710 6.493 -7.070 1.00 0.00 H new ATOM 1742 N SER A 117 0.321 10.237 -6.070 1.00 0.00 N ATOM 1743 CA SER A 117 -0.820 10.795 -5.269 1.00 0.00 C ATOM 1744 C SER A 117 -0.884 10.175 -3.866 1.00 0.00 C ATOM 1745 O SER A 117 -0.652 10.846 -2.879 1.00 0.00 O ATOM 1746 CB SER A 117 -2.150 10.552 -5.991 1.00 0.00 C ATOM 1747 OG SER A 117 -3.003 11.672 -5.793 1.00 0.00 O ATOM 0 H SER A 117 1.150 10.831 -6.096 1.00 0.00 H new ATOM 0 HA SER A 117 -0.648 11.866 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.976 10.397 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.624 9.647 -5.610 1.00 0.00 H new ATOM 0 HG SER A 117 -3.398 11.628 -4.897 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.241 8.922 -3.753 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.365 8.313 -2.388 1.00 0.00 C ATOM 1755 C TYR A 118 -0.893 6.857 -2.414 1.00 0.00 C ATOM 1756 O TYR A 118 -1.485 6.027 -3.076 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.848 8.339 -1.972 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.492 9.604 -2.458 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.252 10.817 -1.809 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.324 9.554 -3.575 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.851 11.986 -2.284 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.920 10.715 -4.052 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.687 11.938 -3.410 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.277 13.091 -3.884 1.00 0.00 O ATOM 0 H TYR A 118 -1.450 8.299 -4.533 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.753 8.878 -1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.366 7.474 -2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.932 8.271 -0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.606 10.851 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.506 8.612 -4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.671 12.927 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.563 10.674 -4.918 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.823 12.880 -4.670 1.00 0.00 H new ATOM 1774 N TRP A 119 0.151 6.523 -1.693 1.00 0.00 N ATOM 1775 CA TRP A 119 0.603 5.109 -1.696 1.00 0.00 C ATOM 1776 C TRP A 119 0.419 4.457 -0.332 1.00 0.00 C ATOM 1777 O TRP A 119 0.592 5.061 0.699 1.00 0.00 O ATOM 1778 CB TRP A 119 2.043 4.975 -2.210 1.00 0.00 C ATOM 1779 CG TRP A 119 2.994 5.922 -1.561 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.593 6.962 -2.164 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.518 5.874 -0.227 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.449 7.571 -1.267 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.437 6.929 -0.052 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.269 5.021 0.829 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.104 7.117 1.153 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.938 5.196 2.053 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.856 6.242 2.210 1.00 0.00 C ATOM 0 H TRP A 119 0.697 7.161 -1.114 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.034 4.566 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.387 3.954 -2.043 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.053 5.142 -3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.431 7.272 -3.186 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.017 8.391 -1.479 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.558 4.216 0.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.805 7.930 1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.744 4.522 2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.372 6.371 3.150 1.00 0.00 H new ATOM 1798 N VAL A 120 0.035 3.208 -0.348 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.203 2.450 0.909 1.00 0.00 C ATOM 1800 C VAL A 120 0.844 1.343 1.020 1.00 0.00 C ATOM 1801 O VAL A 120 0.997 0.538 0.125 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.593 1.806 0.850 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.857 1.019 2.134 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.662 2.888 0.682 1.00 0.00 C ATOM 0 H VAL A 120 -0.126 2.672 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.138 3.121 1.766 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.632 1.127 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.846 0.564 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.104 0.239 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.809 1.692 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.647 2.423 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.620 3.575 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.481 3.438 -0.242 1.00 0.00 H new ATOM 1814 N PHE A 121 1.558 1.282 2.106 1.00 0.00 N ATOM 1815 CA PHE A 121 2.577 0.208 2.244 1.00 0.00 C ATOM 1816 C PHE A 121 2.146 -0.765 3.322 1.00 0.00 C ATOM 1817 O PHE A 121 2.033 -0.414 4.479 1.00 0.00 O ATOM 1818 CB PHE A 121 3.952 0.798 2.619 1.00 0.00 C ATOM 1819 CG PHE A 121 4.431 1.758 1.540 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.909 1.693 0.236 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.414 2.702 1.840 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.366 2.570 -0.754 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.866 3.583 0.848 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.342 3.517 -0.445 1.00 0.00 C ATOM 0 H PHE A 121 1.482 1.922 2.897 1.00 0.00 H new ATOM 0 HA PHE A 121 2.664 -0.306 1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 121 3.883 1.320 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.677 -0.006 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.151 0.962 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 121 5.827 2.754 2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.964 2.514 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.623 4.316 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.693 4.199 -1.205 1.00 0.00 H new ATOM 1834 N VAL A 122 1.928 -1.990 2.963 1.00 0.00 N ATOM 1835 CA VAL A 122 1.544 -2.978 3.988 1.00 0.00 C ATOM 1836 C VAL A 122 2.792 -3.780 4.347 1.00 0.00 C ATOM 1837 O VAL A 122 3.326 -4.517 3.542 1.00 0.00 O ATOM 1838 CB VAL A 122 0.421 -3.891 3.448 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.595 -5.341 3.927 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.913 -3.367 3.965 1.00 0.00 C ATOM 0 H VAL A 122 1.999 -2.347 2.010 1.00 0.00 H new ATOM 0 HA VAL A 122 1.157 -2.486 4.880 1.00 0.00 H new ATOM 0 HB VAL A 122 0.459 -3.882 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.212 -5.955 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.552 -5.728 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.569 -5.370 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.720 -3.999 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.912 -3.382 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.062 -2.345 3.616 1.00 0.00 H new ATOM 1850 N LYS A 123 3.247 -3.651 5.550 1.00 0.00 N ATOM 1851 CA LYS A 123 4.447 -4.421 5.966 1.00 0.00 C ATOM 1852 C LYS A 123 3.972 -5.661 6.709 1.00 0.00 C ATOM 1853 O LYS A 123 3.283 -5.568 7.705 1.00 0.00 O ATOM 1854 CB LYS A 123 5.325 -3.557 6.871 1.00 0.00 C ATOM 1855 CG LYS A 123 6.706 -4.195 7.015 1.00 0.00 C ATOM 1856 CD LYS A 123 7.729 -3.383 6.222 1.00 0.00 C ATOM 1857 CE LYS A 123 8.775 -2.806 7.172 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.586 -3.913 7.750 1.00 0.00 N ATOM 0 H LYS A 123 2.844 -3.048 6.267 1.00 0.00 H new ATOM 0 HA LYS A 123 5.039 -4.712 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.419 -2.555 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.859 -3.451 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.993 -4.233 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.683 -5.223 6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.210 -4.015 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.230 -2.578 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.421 -2.108 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.287 -2.244 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.524 -3.552 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.106 -4.292 8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.695 -4.669 7.044 1.00 0.00 H new ATOM 1872 N ARG A 124 4.301 -6.827 6.225 1.00 0.00 N ATOM 1873 CA ARG A 124 3.820 -8.057 6.915 1.00 0.00 C ATOM 1874 C ARG A 124 4.482 -8.167 8.288 1.00 0.00 C ATOM 1875 O ARG A 124 5.690 -8.141 8.416 1.00 0.00 O ATOM 1876 CB ARG A 124 4.142 -9.289 6.064 1.00 0.00 C ATOM 1877 CG ARG A 124 3.534 -10.535 6.710 1.00 0.00 C ATOM 1878 CD ARG A 124 2.944 -11.435 5.621 1.00 0.00 C ATOM 1879 NE ARG A 124 2.515 -12.726 6.226 1.00 0.00 N ATOM 1880 CZ ARG A 124 3.388 -13.484 6.831 1.00 0.00 C ATOM 1881 NH1 ARG A 124 4.597 -13.597 6.353 1.00 0.00 N ATOM 1882 NH2 ARG A 124 3.052 -14.128 7.914 1.00 0.00 N ATOM 0 H ARG A 124 4.873 -6.981 5.395 1.00 0.00 H new ATOM 0 HA ARG A 124 2.740 -8.000 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.747 -9.160 5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.222 -9.406 5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.296 -11.076 7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.758 -10.248 7.420 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.095 -10.943 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.684 -11.614 4.841 1.00 0.00 H new ATOM 0 HE ARG A 124 1.539 -13.018 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.860 -13.093 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.279 -14.190 6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 124 2.107 -14.039 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.734 -14.721 8.387 1.00 0.00 H new ATOM 1896 N VAL A 125 3.686 -8.277 9.317 1.00 0.00 N ATOM 1897 CA VAL A 125 4.245 -8.372 10.695 1.00 0.00 C ATOM 1898 C VAL A 125 4.592 -9.832 11.002 1.00 0.00 C ATOM 1899 O VAL A 125 4.867 -10.564 10.066 1.00 0.00 O ATOM 1900 CB VAL A 125 3.218 -7.865 11.721 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.952 -7.250 12.900 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.326 -6.787 11.108 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.578 -10.190 12.168 1.00 0.00 O ATOM 0 H VAL A 125 2.668 -8.305 9.262 1.00 0.00 H new ATOM 0 HA VAL A 125 5.143 -7.757 10.758 1.00 0.00 H new ATOM 0 HB VAL A 125 2.605 -8.709 12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.228 -6.889 13.631 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.591 -8.002 13.363 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.564 -6.417 12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.607 -6.443 11.852 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.941 -5.948 10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.793 -7.200 10.252 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.775 -6.020 3.508 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.407 -7.027 3.260 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.538 -5.581 2.767 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -7.101 -6.323 1.788 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.851 -5.951 1.041 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -5.396 -6.791 0.014 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -4.221 -6.463 -0.679 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.508 -5.289 -0.336 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.969 -4.452 0.691 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -5.140 -4.783 1.382 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -2.489 -4.995 -0.932 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.502 -4.138 2.183 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -3.418 -3.548 0.950 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -3.859 -7.109 -1.478 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.648 -7.223 1.508 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -5.952 -7.693 -0.244 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -7.020 -4.663 3.044 1.00 0.00 H new