USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1047 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 TYR OH : rot 33:sc= 1.06 USER MOD Set 1.2: A 102 THR OG1 : rot 33:sc= 2.17 USER MOD Set 2.1: A 93 HIS : no HD1:sc= -0.589! C(o=0.074!,f=-6.6!) USER MOD Set 2.2: A 95 GLN : amide:sc= 0.663 K(o=0.074,f=-4) USER MOD Set 3.1: A 53 THR OG1 : rot 19:sc= 1.97 USER MOD Set 3.2: A 60 THR OG1 : rot 57:sc= 1.23 USER MOD Set 4.1: A 54 GLN : amide:sc= -0.102 X(o=0.77,f=0.66) USER MOD Set 4.2: A 59 ASN : amide:sc= 0.871 K(o=0.77,f=-7.3!) USER MOD Set 5.1: A 45 ASN : amide:sc= 1.16 K(o=3.4,f=1.2) USER MOD Set 5.2: A 48 THR OG1 : rot -104:sc= 2.25 USER MOD Set 6.1: A 22 SER OG : rot -115:sc= 1.2 USER MOD Set 6.2: A 119 HIS : no HE2:sc= -0.153 K(o=1.1,f=-11!) USER MOD Single : A 1 VAL N :NH3+ -175:sc= -0.0215 (180deg=-0.0573) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= -1.22! (180deg=-1.84) USER MOD Single : A 13 SER OG : rot -91:sc= 1.34 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 20 MET CE :methyl -152:sc= -0.38 (180deg=-2.31!) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 1.91 (180deg=1.8) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 31 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 34 ASN : amide:sc= 0.486 K(o=0.49,f=-6.4!) USER MOD Single : A 35 MET CE :methyl -133:sc= 0 (180deg=-0.0747) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.376 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 143:sc= 0.66 USER MOD Single : A 52 LYS NZ :NH3+ -119:sc= 1.08 (180deg=-0.767) USER MOD Single : A 55 SER OG : rot -54:sc= 0.461 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= 1.28 (180deg=1.15) USER MOD Single : A 63 SER OG : rot -99:sc= 1.33 USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.17) USER MOD Single : A 73 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 74 THR OG1 : rot -113:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -153:sc= 1.27 (180deg=1.12) USER MOD Single : A 82 SER OG : rot 158:sc= 1.18 USER MOD Single : A 85 THR OG1 : rot -123:sc= 0.948 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -161:sc= 1.12 (180deg=-0.929!) USER MOD Single : A 98 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.7) USER MOD Single : A 100 GLN : amide:sc= -0.567 K(o=-0.57,f=-3.8!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 163:sc= 0 (180deg=-0.487) USER MOD Single : A 112 LYS NZ :NH3+ -111:sc= 0.515 (180deg=-0.245) USER MOD Single : A 116 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 CYS SG : rot 81:sc= 0.218 USER MOD Single : A 125 THR OG1 : rot 37:sc= 0.305 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 162:sc= 2.48 (180deg=2.26) USER MOD Single : A 131 GLN : amide:sc= 0.821 K(o=0.82,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.197 -12.443 -3.898 1.00 0.00 N ATOM 2 CA VAL A 1 10.339 -11.546 -2.763 1.00 0.00 C ATOM 3 C VAL A 1 11.582 -10.659 -2.913 1.00 0.00 C ATOM 4 O VAL A 1 11.506 -9.452 -2.657 1.00 0.00 O ATOM 5 CB VAL A 1 10.275 -12.346 -1.451 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.459 -13.293 -1.238 1.00 0.00 C ATOM 7 CG2 VAL A 1 10.141 -11.421 -0.237 1.00 0.00 C ATOM 0 H1 VAL A 1 9.305 -12.971 -3.814 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.190 -11.890 -4.779 1.00 0.00 H new ATOM 0 H3 VAL A 1 10.994 -13.111 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 1 9.502 -10.848 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 1 9.383 -12.965 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 1 11.338 -13.819 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.498 -14.016 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 1 12.385 -12.719 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.099 -12.019 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 1 11.001 -10.753 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.228 -10.832 -0.327 1.00 0.00 H new ATOM 19 N ASP A 2 12.702 -11.251 -3.357 1.00 0.00 N ATOM 20 CA ASP A 2 13.998 -10.624 -3.619 1.00 0.00 C ATOM 21 C ASP A 2 13.898 -9.608 -4.761 1.00 0.00 C ATOM 22 O ASP A 2 14.431 -9.791 -5.854 1.00 0.00 O ATOM 23 CB ASP A 2 15.038 -11.705 -3.947 1.00 0.00 C ATOM 24 CG ASP A 2 15.094 -12.779 -2.876 1.00 0.00 C ATOM 25 OD1 ASP A 2 14.126 -13.570 -2.855 1.00 0.00 O ATOM 26 OD2 ASP A 2 16.068 -12.766 -2.095 1.00 0.00 O ATOM 0 H ASP A 2 12.722 -12.251 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 2 14.312 -10.086 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.797 -12.162 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.020 -11.244 -4.051 1.00 0.00 H new ATOM 31 N ALA A 3 13.181 -8.526 -4.487 1.00 0.00 N ATOM 32 CA ALA A 3 12.642 -7.594 -5.458 1.00 0.00 C ATOM 33 C ALA A 3 11.996 -6.456 -4.676 1.00 0.00 C ATOM 34 O ALA A 3 12.270 -5.282 -4.922 1.00 0.00 O ATOM 35 CB ALA A 3 11.600 -8.306 -6.332 1.00 0.00 C ATOM 0 H ALA A 3 12.950 -8.265 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 3 13.423 -7.209 -6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.196 -7.604 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.071 -9.140 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.792 -8.681 -5.703 1.00 0.00 H new ATOM 41 N PHE A 4 11.154 -6.829 -3.709 1.00 0.00 N ATOM 42 CA PHE A 4 10.313 -5.925 -2.945 1.00 0.00 C ATOM 43 C PHE A 4 11.069 -5.374 -1.741 1.00 0.00 C ATOM 44 O PHE A 4 11.003 -4.178 -1.476 1.00 0.00 O ATOM 45 CB PHE A 4 9.051 -6.688 -2.514 1.00 0.00 C ATOM 46 CG PHE A 4 8.358 -7.458 -3.624 1.00 0.00 C ATOM 47 CD1 PHE A 4 8.365 -6.963 -4.942 1.00 0.00 C ATOM 48 CD2 PHE A 4 7.858 -8.749 -3.373 1.00 0.00 C ATOM 49 CE1 PHE A 4 8.021 -7.804 -6.009 1.00 0.00 C ATOM 50 CE2 PHE A 4 7.478 -9.577 -4.443 1.00 0.00 C ATOM 51 CZ PHE A 4 7.587 -9.114 -5.765 1.00 0.00 C ATOM 0 H PHE A 4 11.041 -7.804 -3.432 1.00 0.00 H new ATOM 0 HA PHE A 4 10.027 -5.071 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.319 -7.386 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.343 -5.978 -2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.636 -5.935 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.766 -9.104 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.091 -7.441 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.102 -10.571 -4.249 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.337 -9.765 -6.590 1.00 0.00 H new ATOM 61 N VAL A 5 11.764 -6.258 -1.016 1.00 0.00 N ATOM 62 CA VAL A 5 12.437 -5.972 0.249 1.00 0.00 C ATOM 63 C VAL A 5 13.246 -4.670 0.178 1.00 0.00 C ATOM 64 O VAL A 5 14.300 -4.647 -0.463 1.00 0.00 O ATOM 65 CB VAL A 5 13.337 -7.163 0.636 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.951 -6.960 2.028 1.00 0.00 C ATOM 67 CG2 VAL A 5 12.557 -8.483 0.633 1.00 0.00 C ATOM 0 H VAL A 5 11.875 -7.229 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 5 11.679 -5.833 1.020 1.00 0.00 H new ATOM 0 HB VAL A 5 14.129 -7.213 -0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.581 -7.814 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.554 -6.052 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.155 -6.870 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.223 -9.300 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.738 -8.423 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.154 -8.665 -0.363 1.00 0.00 H new ATOM 77 N GLY A 6 12.788 -3.606 0.847 1.00 0.00 N ATOM 78 CA GLY A 6 13.503 -2.347 0.977 1.00 0.00 C ATOM 79 C GLY A 6 12.733 -1.175 0.368 1.00 0.00 C ATOM 80 O GLY A 6 11.540 -1.262 0.080 1.00 0.00 O ATOM 0 H GLY A 6 11.886 -3.604 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.691 -2.146 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.475 -2.432 0.491 1.00 0.00 H new ATOM 84 N THR A 7 13.431 -0.053 0.195 1.00 0.00 N ATOM 85 CA THR A 7 12.858 1.201 -0.262 1.00 0.00 C ATOM 86 C THR A 7 12.771 1.249 -1.784 1.00 0.00 C ATOM 87 O THR A 7 13.718 0.858 -2.470 1.00 0.00 O ATOM 88 CB THR A 7 13.704 2.362 0.280 1.00 0.00 C ATOM 89 OG1 THR A 7 13.946 2.134 1.658 1.00 0.00 O ATOM 90 CG2 THR A 7 12.990 3.705 0.074 1.00 0.00 C ATOM 0 H THR A 7 14.433 0.005 0.374 1.00 0.00 H new ATOM 0 HA THR A 7 11.840 1.288 0.117 1.00 0.00 H new ATOM 0 HB THR A 7 14.649 2.409 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.487 2.866 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.610 4.511 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.817 3.866 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.035 3.694 0.599 1.00 0.00 H new ATOM 98 N TRP A 8 11.660 1.772 -2.308 1.00 0.00 N ATOM 99 CA TRP A 8 11.529 2.135 -3.706 1.00 0.00 C ATOM 100 C TRP A 8 10.832 3.494 -3.840 1.00 0.00 C ATOM 101 O TRP A 8 9.927 3.808 -3.067 1.00 0.00 O ATOM 102 CB TRP A 8 10.853 1.010 -4.506 1.00 0.00 C ATOM 103 CG TRP A 8 9.825 0.141 -3.839 1.00 0.00 C ATOM 104 CD1 TRP A 8 10.085 -0.839 -2.942 1.00 0.00 C ATOM 105 CD2 TRP A 8 8.412 0.007 -4.162 1.00 0.00 C ATOM 106 NE1 TRP A 8 8.943 -1.576 -2.714 1.00 0.00 N ATOM 107 CE2 TRP A 8 7.883 -1.123 -3.475 1.00 0.00 C ATOM 108 CE3 TRP A 8 7.538 0.699 -5.017 1.00 0.00 C ATOM 109 CZ2 TRP A 8 6.562 -1.559 -3.670 1.00 0.00 C ATOM 110 CZ3 TRP A 8 6.215 0.272 -5.220 1.00 0.00 C ATOM 111 CH2 TRP A 8 5.732 -0.871 -4.567 1.00 0.00 C ATOM 0 H TRP A 8 10.820 1.954 -1.759 1.00 0.00 H new ATOM 0 HA TRP A 8 12.520 2.253 -4.145 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.380 1.467 -5.375 1.00 0.00 H new ATOM 0 HB3 TRP A 8 11.641 0.356 -4.879 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.043 -1.016 -2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 8 8.887 -2.360 -2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 8 7.892 1.581 -5.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 6.188 -2.418 -3.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.567 0.827 -5.882 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.727 -1.219 -4.754 1.00 0.00 H new ATOM 122 N LYS A 9 11.284 4.321 -4.790 1.00 0.00 N ATOM 123 CA LYS A 9 10.736 5.648 -5.060 1.00 0.00 C ATOM 124 C LYS A 9 9.957 5.630 -6.370 1.00 0.00 C ATOM 125 O LYS A 9 10.267 4.834 -7.254 1.00 0.00 O ATOM 126 CB LYS A 9 11.851 6.706 -5.122 1.00 0.00 C ATOM 127 CG LYS A 9 12.856 6.506 -6.272 1.00 0.00 C ATOM 128 CD LYS A 9 13.714 7.770 -6.436 1.00 0.00 C ATOM 129 CE LYS A 9 14.910 7.566 -7.381 1.00 0.00 C ATOM 130 NZ LYS A 9 14.534 7.338 -8.791 1.00 0.00 N ATOM 0 H LYS A 9 12.060 4.077 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 9 10.064 5.913 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.395 7.691 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.394 6.700 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.494 5.646 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.324 6.293 -7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.091 8.579 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.080 8.083 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.556 8.442 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.495 6.716 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.373 7.043 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.810 6.593 -8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.154 8.217 -9.195 1.00 0.00 H new ATOM 144 N LEU A 10 8.981 6.527 -6.517 1.00 0.00 N ATOM 145 CA LEU A 10 8.347 6.784 -7.805 1.00 0.00 C ATOM 146 C LEU A 10 9.403 7.170 -8.847 1.00 0.00 C ATOM 147 O LEU A 10 10.397 7.813 -8.502 1.00 0.00 O ATOM 148 CB LEU A 10 7.305 7.898 -7.618 1.00 0.00 C ATOM 149 CG LEU A 10 6.706 8.422 -8.936 1.00 0.00 C ATOM 150 CD1 LEU A 10 5.236 8.769 -8.733 1.00 0.00 C ATOM 151 CD2 LEU A 10 7.400 9.691 -9.439 1.00 0.00 C ATOM 0 H LEU A 10 8.612 7.091 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 10 7.847 5.886 -8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.498 7.525 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.768 8.729 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 10 6.842 7.627 -9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.817 9.139 -9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.692 7.878 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.146 9.538 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.936 10.014 -10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.303 10.479 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.456 9.484 -9.612 1.00 0.00 H new ATOM 163 N VAL A 11 9.170 6.827 -10.120 1.00 0.00 N ATOM 164 CA VAL A 11 9.898 7.432 -11.227 1.00 0.00 C ATOM 165 C VAL A 11 8.970 7.772 -12.405 1.00 0.00 C ATOM 166 O VAL A 11 8.946 8.931 -12.815 1.00 0.00 O ATOM 167 CB VAL A 11 11.151 6.609 -11.578 1.00 0.00 C ATOM 168 CG1 VAL A 11 10.840 5.145 -11.872 1.00 0.00 C ATOM 169 CG2 VAL A 11 11.903 7.209 -12.766 1.00 0.00 C ATOM 0 H VAL A 11 8.480 6.131 -10.403 1.00 0.00 H new ATOM 0 HA VAL A 11 10.284 8.403 -10.915 1.00 0.00 H new ATOM 0 HB VAL A 11 11.781 6.648 -10.689 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.763 4.618 -12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.379 4.688 -10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.155 5.081 -12.718 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.781 6.602 -12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.249 7.229 -13.638 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.215 8.225 -12.523 1.00 0.00 H new ATOM 179 N ASP A 12 8.191 6.816 -12.933 1.00 0.00 N ATOM 180 CA ASP A 12 7.348 7.036 -14.115 1.00 0.00 C ATOM 181 C ASP A 12 5.875 6.922 -13.706 1.00 0.00 C ATOM 182 O ASP A 12 5.550 6.141 -12.813 1.00 0.00 O ATOM 183 CB ASP A 12 7.675 6.046 -15.253 1.00 0.00 C ATOM 184 CG ASP A 12 9.135 5.608 -15.341 1.00 0.00 C ATOM 185 OD1 ASP A 12 9.996 6.395 -15.784 1.00 0.00 O ATOM 186 OD2 ASP A 12 9.435 4.453 -14.966 1.00 0.00 O ATOM 0 H ASP A 12 8.129 5.872 -12.553 1.00 0.00 H new ATOM 0 HA ASP A 12 7.550 8.035 -14.501 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.054 5.159 -15.129 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.393 6.503 -16.201 1.00 0.00 H new ATOM 191 N SER A 13 4.963 7.676 -14.336 1.00 0.00 N ATOM 192 CA SER A 13 3.549 7.695 -13.965 1.00 0.00 C ATOM 193 C SER A 13 2.695 8.238 -15.113 1.00 0.00 C ATOM 194 O SER A 13 3.177 9.034 -15.921 1.00 0.00 O ATOM 195 CB SER A 13 3.368 8.530 -12.684 1.00 0.00 C ATOM 196 OG SER A 13 2.039 8.473 -12.174 1.00 0.00 O ATOM 0 H SER A 13 5.190 8.290 -15.118 1.00 0.00 H new ATOM 0 HA SER A 13 3.213 6.677 -13.767 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.061 8.173 -11.922 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.629 9.568 -12.892 1.00 0.00 H new ATOM 0 HG SER A 13 1.511 9.206 -12.555 1.00 0.00 H new ATOM 202 N LYS A 14 1.419 7.831 -15.154 1.00 0.00 N ATOM 203 CA LYS A 14 0.394 8.408 -16.020 1.00 0.00 C ATOM 204 C LYS A 14 -0.983 8.094 -15.422 1.00 0.00 C ATOM 205 O LYS A 14 -1.097 7.146 -14.646 1.00 0.00 O ATOM 206 CB LYS A 14 0.527 7.836 -17.444 1.00 0.00 C ATOM 207 CG LYS A 14 0.217 8.868 -18.541 1.00 0.00 C ATOM 208 CD LYS A 14 1.337 9.907 -18.733 1.00 0.00 C ATOM 209 CE LYS A 14 2.544 9.321 -19.484 1.00 0.00 C ATOM 210 NZ LYS A 14 3.690 10.253 -19.503 1.00 0.00 N ATOM 0 H LYS A 14 1.067 7.073 -14.570 1.00 0.00 H new ATOM 0 HA LYS A 14 0.516 9.489 -16.085 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.540 7.459 -17.584 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.147 6.986 -17.552 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.049 8.347 -19.483 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.710 9.385 -18.293 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.947 10.762 -19.285 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.660 10.276 -17.760 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.845 8.386 -19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.253 9.083 -20.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.482 9.819 -20.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.411 11.136 -19.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.985 10.461 -18.528 1.00 0.00 H new ATOM 224 N ASN A 15 -2.014 8.891 -15.730 1.00 0.00 N ATOM 225 CA ASN A 15 -3.442 8.604 -15.502 1.00 0.00 C ATOM 226 C ASN A 15 -3.887 8.456 -14.037 1.00 0.00 C ATOM 227 O ASN A 15 -5.089 8.425 -13.769 1.00 0.00 O ATOM 228 CB ASN A 15 -3.898 7.394 -16.331 1.00 0.00 C ATOM 229 CG ASN A 15 -3.821 7.663 -17.830 1.00 0.00 C ATOM 230 OD1 ASN A 15 -2.740 7.632 -18.410 1.00 0.00 O ATOM 231 ND2 ASN A 15 -4.952 7.950 -18.467 1.00 0.00 N ATOM 0 H ASN A 15 -1.871 9.801 -16.168 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.945 9.510 -15.841 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.277 6.532 -16.086 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.922 7.136 -16.062 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.937 8.152 -19.467 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.835 7.968 -17.956 1.00 0.00 H new ATOM 238 N PHE A 16 -2.954 8.377 -13.080 1.00 0.00 N ATOM 239 CA PHE A 16 -3.247 8.253 -11.653 1.00 0.00 C ATOM 240 C PHE A 16 -4.343 9.233 -11.235 1.00 0.00 C ATOM 241 O PHE A 16 -5.220 8.899 -10.446 1.00 0.00 O ATOM 242 CB PHE A 16 -1.972 8.488 -10.822 1.00 0.00 C ATOM 243 CG PHE A 16 -2.004 7.881 -9.427 1.00 0.00 C ATOM 244 CD1 PHE A 16 -2.871 8.390 -8.441 1.00 0.00 C ATOM 245 CD2 PHE A 16 -1.172 6.789 -9.112 1.00 0.00 C ATOM 246 CE1 PHE A 16 -2.865 7.855 -7.143 1.00 0.00 C ATOM 247 CE2 PHE A 16 -1.184 6.238 -7.820 1.00 0.00 C ATOM 248 CZ PHE A 16 -2.017 6.783 -6.829 1.00 0.00 C ATOM 0 H PHE A 16 -1.955 8.398 -13.284 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.606 7.241 -11.465 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.120 8.076 -11.364 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.805 9.561 -10.733 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.545 9.198 -8.685 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.522 6.373 -9.867 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.514 8.269 -6.386 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.552 5.394 -7.588 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.004 6.378 -5.828 1.00 0.00 H new ATOM 258 N ASP A 17 -4.280 10.460 -11.747 1.00 0.00 N ATOM 259 CA ASP A 17 -5.178 11.516 -11.326 1.00 0.00 C ATOM 260 C ASP A 17 -6.609 11.319 -11.828 1.00 0.00 C ATOM 261 O ASP A 17 -7.550 11.761 -11.169 1.00 0.00 O ATOM 262 CB ASP A 17 -4.558 12.872 -11.655 1.00 0.00 C ATOM 263 CG ASP A 17 -3.265 13.009 -10.868 1.00 0.00 C ATOM 264 OD1 ASP A 17 -3.369 13.063 -9.621 1.00 0.00 O ATOM 265 OD2 ASP A 17 -2.193 12.922 -11.501 1.00 0.00 O ATOM 0 H ASP A 17 -3.608 10.742 -12.460 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.295 11.477 -10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.362 12.950 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.246 13.677 -11.397 1.00 0.00 H new ATOM 270 N ASP A 18 -6.802 10.589 -12.929 1.00 0.00 N ATOM 271 CA ASP A 18 -8.135 10.113 -13.263 1.00 0.00 C ATOM 272 C ASP A 18 -8.523 8.997 -12.294 1.00 0.00 C ATOM 273 O ASP A 18 -9.611 9.001 -11.724 1.00 0.00 O ATOM 274 CB ASP A 18 -8.193 9.637 -14.714 1.00 0.00 C ATOM 275 CG ASP A 18 -9.561 9.044 -15.011 1.00 0.00 C ATOM 276 OD1 ASP A 18 -10.555 9.763 -14.760 1.00 0.00 O ATOM 277 OD2 ASP A 18 -9.587 7.876 -15.444 1.00 0.00 O ATOM 0 H ASP A 18 -6.069 10.323 -13.586 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.850 10.930 -13.165 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.995 10.471 -15.387 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.418 8.892 -14.892 1.00 0.00 H new ATOM 282 N TYR A 19 -7.597 8.060 -12.081 1.00 0.00 N ATOM 283 CA TYR A 19 -7.797 6.897 -11.226 1.00 0.00 C ATOM 284 C TYR A 19 -8.286 7.283 -9.819 1.00 0.00 C ATOM 285 O TYR A 19 -9.282 6.741 -9.335 1.00 0.00 O ATOM 286 CB TYR A 19 -6.498 6.083 -11.183 1.00 0.00 C ATOM 287 CG TYR A 19 -6.698 4.589 -11.047 1.00 0.00 C ATOM 288 CD1 TYR A 19 -6.869 4.008 -9.778 1.00 0.00 C ATOM 289 CD2 TYR A 19 -6.586 3.769 -12.183 1.00 0.00 C ATOM 290 CE1 TYR A 19 -6.866 2.608 -9.637 1.00 0.00 C ATOM 291 CE2 TYR A 19 -6.583 2.374 -12.037 1.00 0.00 C ATOM 292 CZ TYR A 19 -6.702 1.797 -10.768 1.00 0.00 C ATOM 293 OH TYR A 19 -6.562 0.452 -10.648 1.00 0.00 O ATOM 0 H TYR A 19 -6.671 8.092 -12.508 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.590 6.280 -11.649 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.931 6.280 -12.093 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.892 6.433 -10.347 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.003 4.637 -8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.503 4.211 -13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.989 2.161 -8.662 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.488 1.742 -12.908 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.084 0.136 -9.881 1.00 0.00 H new ATOM 303 N MET A 20 -7.591 8.216 -9.154 1.00 0.00 N ATOM 304 CA MET A 20 -7.961 8.696 -7.826 1.00 0.00 C ATOM 305 C MET A 20 -9.385 9.262 -7.858 1.00 0.00 C ATOM 306 O MET A 20 -10.199 8.973 -6.978 1.00 0.00 O ATOM 307 CB MET A 20 -6.918 9.696 -7.276 1.00 0.00 C ATOM 308 CG MET A 20 -7.002 11.089 -7.917 1.00 0.00 C ATOM 309 SD MET A 20 -5.599 12.221 -7.665 1.00 0.00 S ATOM 310 CE MET A 20 -6.236 13.679 -8.534 1.00 0.00 C ATOM 0 H MET A 20 -6.752 8.658 -9.529 1.00 0.00 H new ATOM 0 HA MET A 20 -7.960 7.860 -7.127 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.053 9.793 -6.199 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.919 9.291 -7.437 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.138 10.957 -8.990 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.900 11.578 -7.540 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.402 14.266 -8.919 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.869 13.361 -9.362 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.820 14.288 -7.844 1.00 0.00 H new ATOM 320 N LYS A 21 -9.693 10.023 -8.913 1.00 0.00 N ATOM 321 CA LYS A 21 -11.008 10.573 -9.201 1.00 0.00 C ATOM 322 C LYS A 21 -11.915 9.457 -9.749 1.00 0.00 C ATOM 323 O LYS A 21 -12.455 9.564 -10.852 1.00 0.00 O ATOM 324 CB LYS A 21 -10.820 11.733 -10.194 1.00 0.00 C ATOM 325 CG LYS A 21 -12.117 12.509 -10.490 1.00 0.00 C ATOM 326 CD LYS A 21 -12.095 13.246 -11.840 1.00 0.00 C ATOM 327 CE LYS A 21 -11.613 12.415 -13.045 1.00 0.00 C ATOM 328 NZ LYS A 21 -12.137 11.030 -13.083 1.00 0.00 N ATOM 0 H LYS A 21 -8.999 10.279 -9.615 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.495 10.962 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.076 12.424 -9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.421 11.339 -11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.957 11.815 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.289 13.232 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.101 13.610 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.453 14.122 -11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.904 12.926 -13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.524 12.378 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.639 10.490 -13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.986 10.576 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.155 11.050 -13.297 1.00 0.00 H new ATOM 342 N SER A 22 -12.077 8.394 -8.960 1.00 0.00 N ATOM 343 CA SER A 22 -12.894 7.214 -9.211 1.00 0.00 C ATOM 344 C SER A 22 -12.728 6.288 -8.002 1.00 0.00 C ATOM 345 O SER A 22 -13.707 5.906 -7.367 1.00 0.00 O ATOM 346 CB SER A 22 -12.501 6.513 -10.523 1.00 0.00 C ATOM 347 OG SER A 22 -13.338 5.390 -10.743 1.00 0.00 O ATOM 0 H SER A 22 -11.602 8.335 -8.059 1.00 0.00 H new ATOM 0 HA SER A 22 -13.939 7.497 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.587 7.210 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.459 6.197 -10.478 1.00 0.00 H new ATOM 0 HG SER A 22 -12.801 4.571 -10.715 1.00 0.00 H new ATOM 353 N LEU A 23 -11.478 5.974 -7.645 1.00 0.00 N ATOM 354 CA LEU A 23 -11.169 5.226 -6.427 1.00 0.00 C ATOM 355 C LEU A 23 -11.630 5.976 -5.173 1.00 0.00 C ATOM 356 O LEU A 23 -11.869 5.354 -4.137 1.00 0.00 O ATOM 357 CB LEU A 23 -9.661 4.930 -6.356 1.00 0.00 C ATOM 358 CG LEU A 23 -9.234 3.566 -6.918 1.00 0.00 C ATOM 359 CD1 LEU A 23 -9.479 2.463 -5.885 1.00 0.00 C ATOM 360 CD2 LEU A 23 -9.908 3.220 -8.251 1.00 0.00 C ATOM 0 H LEU A 23 -10.656 6.231 -8.192 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.715 4.283 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.128 5.711 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.344 4.991 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.166 3.637 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.171 1.503 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.901 2.673 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.539 2.428 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.562 2.244 -8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.989 3.195 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.653 3.975 -8.995 1.00 0.00 H new ATOM 372 N GLY A 24 -11.700 7.310 -5.213 1.00 0.00 N ATOM 373 CA GLY A 24 -12.145 8.103 -4.074 1.00 0.00 C ATOM 374 C GLY A 24 -10.966 8.396 -3.153 1.00 0.00 C ATOM 375 O GLY A 24 -10.770 9.550 -2.781 1.00 0.00 O ATOM 0 H GLY A 24 -11.450 7.863 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.588 9.037 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.920 7.567 -3.527 1.00 0.00 H new ATOM 379 N VAL A 25 -10.185 7.349 -2.851 1.00 0.00 N ATOM 380 CA VAL A 25 -8.869 7.302 -2.210 1.00 0.00 C ATOM 381 C VAL A 25 -8.268 8.654 -1.804 1.00 0.00 C ATOM 382 O VAL A 25 -7.967 8.879 -0.636 1.00 0.00 O ATOM 383 CB VAL A 25 -7.922 6.461 -3.094 1.00 0.00 C ATOM 384 CG1 VAL A 25 -7.729 7.017 -4.514 1.00 0.00 C ATOM 385 CG2 VAL A 25 -6.536 6.292 -2.472 1.00 0.00 C ATOM 0 H VAL A 25 -10.501 6.406 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.007 6.823 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.429 5.498 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.051 6.369 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.692 7.056 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.307 8.021 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.911 5.693 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.079 7.271 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.628 5.791 -1.509 1.00 0.00 H new ATOM 395 N GLY A 26 -8.071 9.549 -2.770 1.00 0.00 N ATOM 396 CA GLY A 26 -7.738 10.932 -2.500 1.00 0.00 C ATOM 397 C GLY A 26 -8.159 11.772 -3.694 1.00 0.00 C ATOM 398 O GLY A 26 -7.315 12.435 -4.303 1.00 0.00 O ATOM 0 H GLY A 26 -8.140 9.327 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.246 11.275 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.668 11.036 -2.322 1.00 0.00 H new ATOM 402 N PHE A 27 -9.458 11.702 -4.008 1.00 0.00 N ATOM 403 CA PHE A 27 -10.147 12.334 -5.129 1.00 0.00 C ATOM 404 C PHE A 27 -9.499 13.667 -5.505 1.00 0.00 C ATOM 405 O PHE A 27 -8.966 13.807 -6.603 1.00 0.00 O ATOM 406 CB PHE A 27 -11.634 12.489 -4.769 1.00 0.00 C ATOM 407 CG PHE A 27 -12.519 13.006 -5.888 1.00 0.00 C ATOM 408 CD1 PHE A 27 -12.640 14.391 -6.111 1.00 0.00 C ATOM 409 CD2 PHE A 27 -13.309 12.111 -6.634 1.00 0.00 C ATOM 410 CE1 PHE A 27 -13.517 14.874 -7.096 1.00 0.00 C ATOM 411 CE2 PHE A 27 -14.198 12.596 -7.608 1.00 0.00 C ATOM 412 CZ PHE A 27 -14.301 13.978 -7.841 1.00 0.00 C ATOM 0 H PHE A 27 -10.103 11.157 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.064 11.703 -6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -12.015 11.521 -4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.717 13.167 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -12.057 15.084 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.232 11.048 -6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -13.589 15.936 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -14.803 11.906 -8.178 1.00 0.00 H new ATOM 0 HZ PHE A 27 -14.982 14.351 -8.592 1.00 0.00 H new ATOM 422 N ALA A 28 -9.496 14.615 -4.564 1.00 0.00 N ATOM 423 CA ALA A 28 -8.770 15.872 -4.668 1.00 0.00 C ATOM 424 C ALA A 28 -7.869 16.005 -3.443 1.00 0.00 C ATOM 425 O ALA A 28 -7.996 16.937 -2.653 1.00 0.00 O ATOM 426 CB ALA A 28 -9.758 17.035 -4.795 1.00 0.00 C ATOM 0 H ALA A 28 -10.013 14.522 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.145 15.891 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.208 17.973 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.369 16.898 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.402 17.063 -3.916 1.00 0.00 H new ATOM 432 N THR A 29 -6.981 15.029 -3.244 1.00 0.00 N ATOM 433 CA THR A 29 -6.051 15.021 -2.118 1.00 0.00 C ATOM 434 C THR A 29 -4.763 14.304 -2.516 1.00 0.00 C ATOM 435 O THR A 29 -3.675 14.875 -2.419 1.00 0.00 O ATOM 436 CB THR A 29 -6.721 14.395 -0.883 1.00 0.00 C ATOM 437 OG1 THR A 29 -7.990 14.989 -0.664 1.00 0.00 O ATOM 438 CG2 THR A 29 -5.856 14.542 0.376 1.00 0.00 C ATOM 0 H THR A 29 -6.888 14.222 -3.861 1.00 0.00 H new ATOM 0 HA THR A 29 -5.783 16.043 -1.850 1.00 0.00 H new ATOM 0 HB THR A 29 -6.842 13.330 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.410 14.583 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.367 14.086 1.224 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.899 14.045 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.687 15.599 0.580 1.00 0.00 H new ATOM 446 N ARG A 30 -4.871 13.076 -3.043 1.00 0.00 N ATOM 447 CA ARG A 30 -3.694 12.370 -3.529 1.00 0.00 C ATOM 448 C ARG A 30 -3.001 13.164 -4.631 1.00 0.00 C ATOM 449 O ARG A 30 -1.805 12.980 -4.790 1.00 0.00 O ATOM 450 CB ARG A 30 -3.980 10.916 -3.957 1.00 0.00 C ATOM 451 CG ARG A 30 -3.812 9.960 -2.767 1.00 0.00 C ATOM 452 CD ARG A 30 -3.651 8.486 -3.169 1.00 0.00 C ATOM 453 NE ARG A 30 -3.462 7.678 -1.951 1.00 0.00 N ATOM 454 CZ ARG A 30 -3.069 6.396 -1.860 1.00 0.00 C ATOM 455 NH1 ARG A 30 -3.194 5.563 -2.896 1.00 0.00 N ATOM 456 NH2 ARG A 30 -2.537 5.968 -0.714 1.00 0.00 N ATOM 0 H ARG A 30 -5.748 12.565 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.010 12.290 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.993 10.840 -4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.302 10.628 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.940 10.266 -2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.678 10.055 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.531 8.146 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.797 8.368 -3.836 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.653 8.150 -1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.593 5.897 -3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.891 4.593 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.435 6.610 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.232 4.999 -0.624 1.00 0.00 H new ATOM 470 N GLN A 31 -3.715 14.065 -5.325 1.00 0.00 N ATOM 471 CA GLN A 31 -3.135 15.036 -6.253 1.00 0.00 C ATOM 472 C GLN A 31 -1.839 15.664 -5.720 1.00 0.00 C ATOM 473 O GLN A 31 -0.925 15.948 -6.490 1.00 0.00 O ATOM 474 CB GLN A 31 -4.172 16.113 -6.618 1.00 0.00 C ATOM 475 CG GLN A 31 -4.631 16.989 -5.441 1.00 0.00 C ATOM 476 CD GLN A 31 -5.598 18.093 -5.865 1.00 0.00 C ATOM 477 OE1 GLN A 31 -5.453 19.236 -5.450 1.00 0.00 O ATOM 478 NE2 GLN A 31 -6.593 17.778 -6.690 1.00 0.00 N ATOM 0 H GLN A 31 -4.730 14.136 -5.252 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.860 14.495 -7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.750 16.757 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.045 15.625 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.111 16.360 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.759 17.439 -4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.695 16.819 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.254 18.495 -6.989 1.00 0.00 H new ATOM 487 N VAL A 32 -1.758 15.890 -4.403 1.00 0.00 N ATOM 488 CA VAL A 32 -0.520 16.315 -3.772 1.00 0.00 C ATOM 489 C VAL A 32 0.383 15.084 -3.629 1.00 0.00 C ATOM 490 O VAL A 32 1.421 14.970 -4.288 1.00 0.00 O ATOM 491 CB VAL A 32 -0.827 17.000 -2.426 1.00 0.00 C ATOM 492 CG1 VAL A 32 0.443 17.561 -1.778 1.00 0.00 C ATOM 493 CG2 VAL A 32 -1.818 18.153 -2.628 1.00 0.00 C ATOM 0 H VAL A 32 -2.542 15.783 -3.759 1.00 0.00 H new ATOM 0 HA VAL A 32 0.005 17.054 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.257 16.242 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.189 18.037 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.149 16.750 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.897 18.296 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.025 18.627 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.388 18.887 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.746 17.766 -3.049 1.00 0.00 H new ATOM 503 N GLY A 33 -0.029 14.139 -2.777 1.00 0.00 N ATOM 504 CA GLY A 33 0.757 12.971 -2.398 1.00 0.00 C ATOM 505 C GLY A 33 0.783 11.870 -3.464 1.00 0.00 C ATOM 506 O GLY A 33 0.648 10.686 -3.137 1.00 0.00 O ATOM 0 H GLY A 33 -0.942 14.171 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.780 13.285 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.355 12.559 -1.473 1.00 0.00 H new ATOM 510 N ASN A 34 0.992 12.250 -4.726 1.00 0.00 N ATOM 511 CA ASN A 34 1.115 11.364 -5.878 1.00 0.00 C ATOM 512 C ASN A 34 1.948 12.016 -6.980 1.00 0.00 C ATOM 513 O ASN A 34 2.646 11.301 -7.700 1.00 0.00 O ATOM 514 CB ASN A 34 -0.249 10.892 -6.416 1.00 0.00 C ATOM 515 CG ASN A 34 -0.954 11.887 -7.346 1.00 0.00 C ATOM 516 OD1 ASN A 34 -0.778 13.094 -7.257 1.00 0.00 O ATOM 517 ND2 ASN A 34 -1.757 11.382 -8.269 1.00 0.00 N ATOM 0 H ASN A 34 1.084 13.233 -4.982 1.00 0.00 H new ATOM 0 HA ASN A 34 1.636 10.471 -5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.107 9.954 -6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.904 10.680 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.240 12.002 -8.919 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.893 10.373 -8.330 1.00 0.00 H new ATOM 524 N MET A 35 1.836 13.338 -7.128 1.00 0.00 N ATOM 525 CA MET A 35 2.526 14.145 -8.118 1.00 0.00 C ATOM 526 C MET A 35 3.839 14.680 -7.545 1.00 0.00 C ATOM 527 O MET A 35 4.749 15.011 -8.301 1.00 0.00 O ATOM 528 CB MET A 35 1.569 15.258 -8.558 1.00 0.00 C ATOM 529 CG MET A 35 2.023 15.986 -9.827 1.00 0.00 C ATOM 530 SD MET A 35 0.674 16.817 -10.717 1.00 0.00 S ATOM 531 CE MET A 35 -0.127 15.383 -11.486 1.00 0.00 C ATOM 0 H MET A 35 1.229 13.896 -6.527 1.00 0.00 H new ATOM 0 HA MET A 35 2.800 13.554 -8.992 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.581 14.831 -8.727 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.469 15.982 -7.749 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.779 16.724 -9.560 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.499 15.269 -10.495 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.318 15.594 -12.538 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.525 14.514 -11.402 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.071 15.179 -10.980 1.00 0.00 H new ATOM 541 N THR A 36 3.953 14.730 -6.212 1.00 0.00 N ATOM 542 CA THR A 36 5.253 14.793 -5.558 1.00 0.00 C ATOM 543 C THR A 36 6.031 13.489 -5.807 1.00 0.00 C ATOM 544 O THR A 36 5.670 12.680 -6.661 1.00 0.00 O ATOM 545 CB THR A 36 5.073 15.117 -4.064 1.00 0.00 C ATOM 546 OG1 THR A 36 6.329 15.399 -3.479 1.00 0.00 O ATOM 547 CG2 THR A 36 4.434 13.981 -3.259 1.00 0.00 C ATOM 0 H THR A 36 3.159 14.728 -5.572 1.00 0.00 H new ATOM 0 HA THR A 36 5.850 15.599 -5.984 1.00 0.00 H new ATOM 0 HB THR A 36 4.402 15.975 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.208 15.606 -2.529 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.340 14.283 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.446 13.759 -3.663 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.061 13.092 -3.324 1.00 0.00 H new ATOM 555 N LYS A 37 7.097 13.270 -5.036 1.00 0.00 N ATOM 556 CA LYS A 37 7.931 12.079 -5.098 1.00 0.00 C ATOM 557 C LYS A 37 7.666 11.205 -3.862 1.00 0.00 C ATOM 558 O LYS A 37 8.449 11.252 -2.917 1.00 0.00 O ATOM 559 CB LYS A 37 9.410 12.491 -5.202 1.00 0.00 C ATOM 560 CG LYS A 37 9.703 13.370 -6.431 1.00 0.00 C ATOM 561 CD LYS A 37 9.712 14.868 -6.084 1.00 0.00 C ATOM 562 CE LYS A 37 9.975 15.710 -7.341 1.00 0.00 C ATOM 563 NZ LYS A 37 10.048 17.156 -7.039 1.00 0.00 N ATOM 0 H LYS A 37 7.409 13.939 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 37 7.686 11.491 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.696 13.031 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.029 11.595 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.668 13.091 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.952 13.181 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.756 15.151 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.480 15.070 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.909 15.389 -7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.183 15.532 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.227 17.685 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.148 17.470 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.821 17.331 -6.365 1.00 0.00 H new ATOM 577 N PRO A 38 6.571 10.425 -3.824 1.00 0.00 N ATOM 578 CA PRO A 38 6.265 9.579 -2.684 1.00 0.00 C ATOM 579 C PRO A 38 7.278 8.437 -2.582 1.00 0.00 C ATOM 580 O PRO A 38 7.736 7.907 -3.598 1.00 0.00 O ATOM 581 CB PRO A 38 4.846 9.059 -2.935 1.00 0.00 C ATOM 582 CG PRO A 38 4.761 9.024 -4.461 1.00 0.00 C ATOM 583 CD PRO A 38 5.561 10.265 -4.857 1.00 0.00 C ATOM 0 HA PRO A 38 6.322 10.118 -1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.694 8.072 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.092 9.717 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.194 8.112 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.731 9.074 -4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.020 10.139 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.918 11.143 -4.916 1.00 0.00 H new ATOM 591 N THR A 39 7.604 8.051 -1.348 1.00 0.00 N ATOM 592 CA THR A 39 8.543 6.987 -1.040 1.00 0.00 C ATOM 593 C THR A 39 7.743 5.762 -0.604 1.00 0.00 C ATOM 594 O THR A 39 6.908 5.862 0.293 1.00 0.00 O ATOM 595 CB THR A 39 9.491 7.454 0.072 1.00 0.00 C ATOM 596 OG1 THR A 39 9.942 8.766 -0.188 1.00 0.00 O ATOM 597 CG2 THR A 39 10.726 6.558 0.150 1.00 0.00 C ATOM 0 H THR A 39 7.207 8.487 -0.515 1.00 0.00 H new ATOM 0 HA THR A 39 9.146 6.731 -1.911 1.00 0.00 H new ATOM 0 HB THR A 39 8.935 7.412 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.545 9.053 0.530 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.382 6.911 0.946 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.419 5.533 0.360 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.259 6.590 -0.800 1.00 0.00 H new ATOM 605 N THR A 40 7.979 4.618 -1.247 1.00 0.00 N ATOM 606 CA THR A 40 7.312 3.364 -0.938 1.00 0.00 C ATOM 607 C THR A 40 8.337 2.441 -0.281 1.00 0.00 C ATOM 608 O THR A 40 9.166 1.837 -0.960 1.00 0.00 O ATOM 609 CB THR A 40 6.716 2.778 -2.224 1.00 0.00 C ATOM 610 OG1 THR A 40 5.955 3.778 -2.875 1.00 0.00 O ATOM 611 CG2 THR A 40 5.784 1.608 -1.909 1.00 0.00 C ATOM 0 H THR A 40 8.652 4.541 -2.010 1.00 0.00 H new ATOM 0 HA THR A 40 6.483 3.502 -0.244 1.00 0.00 H new ATOM 0 HB THR A 40 7.534 2.429 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.060 3.689 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.374 1.209 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.342 0.826 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.970 1.953 -1.271 1.00 0.00 H new ATOM 619 N ILE A 41 8.307 2.357 1.048 1.00 0.00 N ATOM 620 CA ILE A 41 9.183 1.466 1.793 1.00 0.00 C ATOM 621 C ILE A 41 8.465 0.129 1.921 1.00 0.00 C ATOM 622 O ILE A 41 7.374 0.100 2.480 1.00 0.00 O ATOM 623 CB ILE A 41 9.531 2.094 3.155 1.00 0.00 C ATOM 624 CG1 ILE A 41 10.474 3.290 2.947 1.00 0.00 C ATOM 625 CG2 ILE A 41 10.176 1.069 4.100 1.00 0.00 C ATOM 626 CD1 ILE A 41 10.476 4.250 4.140 1.00 0.00 C ATOM 0 H ILE A 41 7.676 2.904 1.633 1.00 0.00 H new ATOM 0 HA ILE A 41 10.132 1.306 1.282 1.00 0.00 H new ATOM 0 HB ILE A 41 8.605 2.435 3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.487 2.925 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.176 3.832 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.408 1.547 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.484 0.243 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.094 0.688 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.158 5.076 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.470 4.640 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.801 3.718 5.034 1.00 0.00 H new ATOM 638 N ILE A 42 9.052 -0.966 1.427 1.00 0.00 N ATOM 639 CA ILE A 42 8.607 -2.301 1.796 1.00 0.00 C ATOM 640 C ILE A 42 9.546 -2.854 2.858 1.00 0.00 C ATOM 641 O ILE A 42 10.757 -2.902 2.640 1.00 0.00 O ATOM 642 CB ILE A 42 8.483 -3.232 0.572 1.00 0.00 C ATOM 643 CG1 ILE A 42 7.076 -3.031 -0.015 1.00 0.00 C ATOM 644 CG2 ILE A 42 8.700 -4.702 0.963 1.00 0.00 C ATOM 645 CD1 ILE A 42 6.687 -4.009 -1.124 1.00 0.00 C ATOM 0 H ILE A 42 9.834 -0.948 0.773 1.00 0.00 H new ATOM 0 HA ILE A 42 7.601 -2.242 2.213 1.00 0.00 H new ATOM 0 HB ILE A 42 9.249 -2.986 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.348 -3.114 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.005 -2.016 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.606 -5.332 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.696 -4.822 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.952 -4.997 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.678 -3.784 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.386 -3.914 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.719 -5.028 -0.738 1.00 0.00 H new ATOM 657 N GLU A 43 8.972 -3.335 3.963 1.00 0.00 N ATOM 658 CA GLU A 43 9.670 -4.191 4.906 1.00 0.00 C ATOM 659 C GLU A 43 9.134 -5.619 4.760 1.00 0.00 C ATOM 660 O GLU A 43 7.937 -5.841 4.540 1.00 0.00 O ATOM 661 CB GLU A 43 9.528 -3.634 6.326 1.00 0.00 C ATOM 662 CG GLU A 43 10.518 -4.283 7.301 1.00 0.00 C ATOM 663 CD GLU A 43 10.338 -3.746 8.717 1.00 0.00 C ATOM 664 OE1 GLU A 43 10.060 -2.533 8.832 1.00 0.00 O ATOM 665 OE2 GLU A 43 10.480 -4.562 9.652 1.00 0.00 O ATOM 0 H GLU A 43 8.006 -3.137 4.224 1.00 0.00 H new ATOM 0 HA GLU A 43 10.739 -4.215 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.689 -2.556 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.510 -3.799 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.377 -5.364 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.538 -4.094 6.966 1.00 0.00 H new ATOM 672 N VAL A 44 10.040 -6.593 4.864 1.00 0.00 N ATOM 673 CA VAL A 44 9.723 -8.011 4.816 1.00 0.00 C ATOM 674 C VAL A 44 9.153 -8.433 6.174 1.00 0.00 C ATOM 675 O VAL A 44 9.807 -9.107 6.965 1.00 0.00 O ATOM 676 CB VAL A 44 10.953 -8.807 4.325 1.00 0.00 C ATOM 677 CG1 VAL A 44 12.232 -8.616 5.150 1.00 0.00 C ATOM 678 CG2 VAL A 44 10.661 -10.306 4.212 1.00 0.00 C ATOM 0 H VAL A 44 11.035 -6.408 4.987 1.00 0.00 H new ATOM 0 HA VAL A 44 8.945 -8.235 4.087 1.00 0.00 H new ATOM 0 HB VAL A 44 11.145 -8.380 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.034 -9.217 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.520 -7.565 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.052 -8.930 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.554 -10.825 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.373 -10.695 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.848 -10.466 3.503 1.00 0.00 H new ATOM 688 N ASN A 45 7.926 -7.989 6.458 1.00 0.00 N ATOM 689 CA ASN A 45 7.253 -8.309 7.713 1.00 0.00 C ATOM 690 C ASN A 45 7.205 -9.829 7.906 1.00 0.00 C ATOM 691 O ASN A 45 6.996 -10.543 6.933 1.00 0.00 O ATOM 692 CB ASN A 45 5.846 -7.708 7.730 1.00 0.00 C ATOM 693 CG ASN A 45 5.296 -7.662 9.151 1.00 0.00 C ATOM 694 OD1 ASN A 45 5.554 -6.717 9.888 1.00 0.00 O ATOM 695 ND2 ASN A 45 4.545 -8.675 9.563 1.00 0.00 N ATOM 0 H ASN A 45 7.378 -7.403 5.829 1.00 0.00 H new ATOM 0 HA ASN A 45 7.814 -7.874 8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.870 -6.702 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.185 -8.300 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.169 -8.678 10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.344 -9.450 8.932 1.00 0.00 H new ATOM 702 N GLY A 46 7.425 -10.307 9.135 1.00 0.00 N ATOM 703 CA GLY A 46 7.631 -11.708 9.510 1.00 0.00 C ATOM 704 C GLY A 46 7.234 -12.760 8.467 1.00 0.00 C ATOM 705 O GLY A 46 8.098 -13.374 7.844 1.00 0.00 O ATOM 0 H GLY A 46 7.466 -9.687 9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.685 -11.846 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.069 -11.903 10.423 1.00 0.00 H new ATOM 709 N ASP A 47 5.928 -12.994 8.313 1.00 0.00 N ATOM 710 CA ASP A 47 5.323 -14.005 7.454 1.00 0.00 C ATOM 711 C ASP A 47 4.585 -13.356 6.275 1.00 0.00 C ATOM 712 O ASP A 47 3.706 -13.970 5.674 1.00 0.00 O ATOM 713 CB ASP A 47 4.307 -14.779 8.310 1.00 0.00 C ATOM 714 CG ASP A 47 3.125 -13.894 8.704 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.384 -12.698 8.982 1.00 0.00 O ATOM 716 OD2 ASP A 47 1.989 -14.411 8.694 1.00 0.00 O ATOM 0 H ASP A 47 5.227 -12.449 8.816 1.00 0.00 H new ATOM 0 HA ASP A 47 6.097 -14.658 7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.946 -15.646 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.797 -15.156 9.208 1.00 0.00 H new ATOM 721 N THR A 48 4.890 -12.099 5.973 1.00 0.00 N ATOM 722 CA THR A 48 4.014 -11.175 5.273 1.00 0.00 C ATOM 723 C THR A 48 4.886 -10.190 4.485 1.00 0.00 C ATOM 724 O THR A 48 6.063 -10.448 4.243 1.00 0.00 O ATOM 725 CB THR A 48 3.123 -10.481 6.335 1.00 0.00 C ATOM 726 OG1 THR A 48 3.744 -10.470 7.606 1.00 0.00 O ATOM 727 CG2 THR A 48 1.771 -11.181 6.490 1.00 0.00 C ATOM 0 H THR A 48 5.788 -11.683 6.219 1.00 0.00 H new ATOM 0 HA THR A 48 3.360 -11.673 4.557 1.00 0.00 H new ATOM 0 HB THR A 48 2.975 -9.462 5.978 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.328 -11.147 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.177 -10.663 7.244 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.242 -11.165 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.929 -12.214 6.800 1.00 0.00 H new ATOM 735 N VAL A 49 4.323 -9.061 4.061 1.00 0.00 N ATOM 736 CA VAL A 49 5.079 -7.934 3.557 1.00 0.00 C ATOM 737 C VAL A 49 4.298 -6.677 3.935 1.00 0.00 C ATOM 738 O VAL A 49 3.066 -6.711 3.951 1.00 0.00 O ATOM 739 CB VAL A 49 5.306 -8.109 2.047 1.00 0.00 C ATOM 740 CG1 VAL A 49 4.007 -8.060 1.231 1.00 0.00 C ATOM 741 CG2 VAL A 49 6.286 -7.061 1.517 1.00 0.00 C ATOM 0 H VAL A 49 3.314 -8.908 4.061 1.00 0.00 H new ATOM 0 HA VAL A 49 6.075 -7.856 3.992 1.00 0.00 H new ATOM 0 HB VAL A 49 5.730 -9.105 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.237 -8.190 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.341 -8.859 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.519 -7.097 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.430 -7.206 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.885 -6.064 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.243 -7.165 2.029 1.00 0.00 H new ATOM 751 N ILE A 50 4.994 -5.595 4.296 1.00 0.00 N ATOM 752 CA ILE A 50 4.348 -4.343 4.674 1.00 0.00 C ATOM 753 C ILE A 50 4.884 -3.205 3.819 1.00 0.00 C ATOM 754 O ILE A 50 6.075 -2.902 3.873 1.00 0.00 O ATOM 755 CB ILE A 50 4.451 -4.087 6.191 1.00 0.00 C ATOM 756 CG1 ILE A 50 3.699 -2.802 6.576 1.00 0.00 C ATOM 757 CG2 ILE A 50 5.897 -4.006 6.689 1.00 0.00 C ATOM 758 CD1 ILE A 50 3.678 -2.590 8.092 1.00 0.00 C ATOM 0 H ILE A 50 6.013 -5.566 4.333 1.00 0.00 H new ATOM 0 HA ILE A 50 3.279 -4.412 4.472 1.00 0.00 H new ATOM 0 HB ILE A 50 3.989 -4.946 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.172 -1.946 6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.677 -2.853 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.902 -3.824 7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.408 -4.945 6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.412 -3.190 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.138 -1.672 8.324 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.181 -3.434 8.571 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.700 -2.513 8.463 1.00 0.00 H new ATOM 770 N ILE A 51 3.993 -2.585 3.039 1.00 0.00 N ATOM 771 CA ILE A 51 4.242 -1.319 2.374 1.00 0.00 C ATOM 772 C ILE A 51 3.999 -0.207 3.398 1.00 0.00 C ATOM 773 O ILE A 51 2.987 -0.226 4.093 1.00 0.00 O ATOM 774 CB ILE A 51 3.307 -1.181 1.152 1.00 0.00 C ATOM 775 CG1 ILE A 51 3.823 -2.042 -0.012 1.00 0.00 C ATOM 776 CG2 ILE A 51 3.183 0.281 0.714 1.00 0.00 C ATOM 777 CD1 ILE A 51 2.867 -2.107 -1.209 1.00 0.00 C ATOM 0 H ILE A 51 3.064 -2.963 2.854 1.00 0.00 H new ATOM 0 HA ILE A 51 5.266 -1.257 2.006 1.00 0.00 H new ATOM 0 HB ILE A 51 2.317 -1.532 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.782 -1.646 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.005 -3.054 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.519 0.348 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.775 0.873 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.167 0.665 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.302 -2.733 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.915 -2.532 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.704 -1.102 -1.599 1.00 0.00 H new ATOM 789 N LYS A 52 4.896 0.778 3.440 1.00 0.00 N ATOM 790 CA LYS A 52 4.725 2.090 4.041 1.00 0.00 C ATOM 791 C LYS A 52 4.800 3.090 2.884 1.00 0.00 C ATOM 792 O LYS A 52 5.875 3.296 2.318 1.00 0.00 O ATOM 793 CB LYS A 52 5.850 2.334 5.059 1.00 0.00 C ATOM 794 CG LYS A 52 5.666 1.532 6.353 1.00 0.00 C ATOM 795 CD LYS A 52 4.843 2.317 7.385 1.00 0.00 C ATOM 796 CE LYS A 52 4.378 1.362 8.497 1.00 0.00 C ATOM 797 NZ LYS A 52 3.371 1.963 9.395 1.00 0.00 N ATOM 0 H LYS A 52 5.822 0.668 3.026 1.00 0.00 H new ATOM 0 HA LYS A 52 3.779 2.186 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.806 2.071 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.893 3.396 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.169 0.588 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.641 1.287 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.443 3.122 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.982 2.780 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.961 0.463 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.241 1.052 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.743 1.989 10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.158 2.931 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.502 1.393 9.373 1.00 0.00 H new ATOM 811 N THR A 53 3.661 3.680 2.508 1.00 0.00 N ATOM 812 CA THR A 53 3.595 4.734 1.508 1.00 0.00 C ATOM 813 C THR A 53 3.793 6.056 2.240 1.00 0.00 C ATOM 814 O THR A 53 2.846 6.507 2.878 1.00 0.00 O ATOM 815 CB THR A 53 2.210 4.725 0.835 1.00 0.00 C ATOM 816 OG1 THR A 53 1.183 4.687 1.808 1.00 0.00 O ATOM 817 CG2 THR A 53 2.015 3.539 -0.108 1.00 0.00 C ATOM 0 H THR A 53 2.752 3.431 2.898 1.00 0.00 H new ATOM 0 HA THR A 53 4.355 4.590 0.740 1.00 0.00 H new ATOM 0 HB THR A 53 2.157 5.644 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.540 4.981 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.021 3.587 -0.552 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.767 3.574 -0.897 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.118 2.609 0.451 1.00 0.00 H new ATOM 825 N GLN A 54 4.979 6.663 2.171 1.00 0.00 N ATOM 826 CA GLN A 54 5.277 7.913 2.860 1.00 0.00 C ATOM 827 C GLN A 54 5.368 9.076 1.871 1.00 0.00 C ATOM 828 O GLN A 54 5.896 8.930 0.767 1.00 0.00 O ATOM 829 CB GLN A 54 6.531 7.758 3.725 1.00 0.00 C ATOM 830 CG GLN A 54 6.293 6.649 4.763 1.00 0.00 C ATOM 831 CD GLN A 54 7.314 6.657 5.894 1.00 0.00 C ATOM 832 OE1 GLN A 54 7.994 5.667 6.136 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.409 7.766 6.621 1.00 0.00 N ATOM 0 H GLN A 54 5.763 6.296 1.631 1.00 0.00 H new ATOM 0 HA GLN A 54 4.456 8.154 3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.390 7.511 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.761 8.698 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.294 6.762 5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.321 5.681 4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.830 8.575 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.061 7.808 7.404 1.00 0.00 H new ATOM 842 N SER A 55 4.800 10.222 2.259 1.00 0.00 N ATOM 843 CA SER A 55 4.643 11.404 1.426 1.00 0.00 C ATOM 844 C SER A 55 4.184 12.571 2.308 1.00 0.00 C ATOM 845 O SER A 55 3.153 13.195 2.033 1.00 0.00 O ATOM 846 CB SER A 55 3.619 11.093 0.331 1.00 0.00 C ATOM 847 OG SER A 55 3.385 12.202 -0.511 1.00 0.00 O ATOM 0 H SER A 55 4.425 10.350 3.199 1.00 0.00 H new ATOM 0 HA SER A 55 5.584 11.683 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.973 10.253 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.680 10.784 0.791 1.00 0.00 H new ATOM 0 HG SER A 55 3.130 12.977 0.032 1.00 0.00 H new ATOM 853 N THR A 56 4.950 12.848 3.365 1.00 0.00 N ATOM 854 CA THR A 56 4.739 13.944 4.304 1.00 0.00 C ATOM 855 C THR A 56 3.444 13.761 5.105 1.00 0.00 C ATOM 856 O THR A 56 3.491 13.412 6.282 1.00 0.00 O ATOM 857 CB THR A 56 4.834 15.302 3.582 1.00 0.00 C ATOM 858 OG1 THR A 56 6.005 15.307 2.783 1.00 0.00 O ATOM 859 CG2 THR A 56 4.885 16.463 4.584 1.00 0.00 C ATOM 0 H THR A 56 5.770 12.288 3.597 1.00 0.00 H new ATOM 0 HA THR A 56 5.539 13.931 5.044 1.00 0.00 H new ATOM 0 HB THR A 56 3.948 15.437 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.078 16.165 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.952 17.407 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.982 16.457 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.758 16.350 5.227 1.00 0.00 H new ATOM 867 N PHE A 57 2.294 14.005 4.472 1.00 0.00 N ATOM 868 CA PHE A 57 0.982 13.891 5.092 1.00 0.00 C ATOM 869 C PHE A 57 0.434 12.488 4.852 1.00 0.00 C ATOM 870 O PHE A 57 0.004 11.801 5.777 1.00 0.00 O ATOM 871 CB PHE A 57 0.035 14.951 4.511 1.00 0.00 C ATOM 872 CG PHE A 57 0.448 16.381 4.797 1.00 0.00 C ATOM 873 CD1 PHE A 57 0.180 16.944 6.058 1.00 0.00 C ATOM 874 CD2 PHE A 57 1.065 17.162 3.801 1.00 0.00 C ATOM 875 CE1 PHE A 57 0.515 18.283 6.319 1.00 0.00 C ATOM 876 CE2 PHE A 57 1.403 18.501 4.066 1.00 0.00 C ATOM 877 CZ PHE A 57 1.125 19.063 5.323 1.00 0.00 C ATOM 0 H PHE A 57 2.254 14.293 3.494 1.00 0.00 H new ATOM 0 HA PHE A 57 1.065 14.060 6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.028 14.812 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.965 14.787 4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.285 16.345 6.827 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.279 16.733 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.303 18.713 7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.877 19.099 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.380 20.093 5.523 1.00 0.00 H new ATOM 887 N LYS A 58 0.433 12.062 3.587 1.00 0.00 N ATOM 888 CA LYS A 58 -0.107 10.772 3.196 1.00 0.00 C ATOM 889 C LYS A 58 0.907 9.689 3.574 1.00 0.00 C ATOM 890 O LYS A 58 1.621 9.186 2.707 1.00 0.00 O ATOM 891 CB LYS A 58 -0.424 10.806 1.695 1.00 0.00 C ATOM 892 CG LYS A 58 -1.104 9.519 1.203 1.00 0.00 C ATOM 893 CD LYS A 58 -0.721 9.246 -0.257 1.00 0.00 C ATOM 894 CE LYS A 58 0.653 8.568 -0.355 1.00 0.00 C ATOM 895 NZ LYS A 58 1.093 8.415 -1.756 1.00 0.00 N ATOM 0 H LYS A 58 0.808 12.606 2.810 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.038 10.544 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.071 11.657 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.499 10.961 1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.805 8.678 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.186 9.613 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.476 8.611 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.707 10.183 -0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.388 9.156 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.609 7.588 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.128 8.500 -1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.805 7.481 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.656 9.157 -2.340 1.00 0.00 H new ATOM 909 N ASN A 59 0.963 9.353 4.865 1.00 0.00 N ATOM 910 CA ASN A 59 1.886 8.372 5.426 1.00 0.00 C ATOM 911 C ASN A 59 1.130 7.120 5.877 1.00 0.00 C ATOM 912 O ASN A 59 1.161 6.747 7.047 1.00 0.00 O ATOM 913 CB ASN A 59 2.731 9.009 6.540 1.00 0.00 C ATOM 914 CG ASN A 59 3.836 9.911 5.988 1.00 0.00 C ATOM 915 OD1 ASN A 59 3.751 10.433 4.879 1.00 0.00 O ATOM 916 ND2 ASN A 59 4.920 10.076 6.739 1.00 0.00 N ATOM 0 H ASN A 59 0.349 9.769 5.566 1.00 0.00 H new ATOM 0 HA ASN A 59 2.585 8.046 4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.084 9.591 7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.177 8.223 7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.696 10.642 6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.976 9.636 7.658 1.00 0.00 H new ATOM 923 N THR A 60 0.449 6.467 4.934 1.00 0.00 N ATOM 924 CA THR A 60 -0.310 5.240 5.150 1.00 0.00 C ATOM 925 C THR A 60 0.594 4.005 5.045 1.00 0.00 C ATOM 926 O THR A 60 1.697 4.084 4.496 1.00 0.00 O ATOM 927 CB THR A 60 -1.448 5.197 4.114 1.00 0.00 C ATOM 928 OG1 THR A 60 -1.039 5.806 2.901 1.00 0.00 O ATOM 929 CG2 THR A 60 -2.653 5.980 4.626 1.00 0.00 C ATOM 0 H THR A 60 0.411 6.791 3.968 1.00 0.00 H new ATOM 0 HA THR A 60 -0.729 5.231 6.156 1.00 0.00 H new ATOM 0 HB THR A 60 -1.704 4.150 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.236 5.357 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.452 5.943 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.003 5.540 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.366 7.017 4.799 1.00 0.00 H new ATOM 937 N GLU A 61 0.115 2.858 5.546 1.00 0.00 N ATOM 938 CA GLU A 61 0.715 1.554 5.306 1.00 0.00 C ATOM 939 C GLU A 61 -0.314 0.609 4.697 1.00 0.00 C ATOM 940 O GLU A 61 -1.513 0.812 4.874 1.00 0.00 O ATOM 941 CB GLU A 61 1.295 0.955 6.593 1.00 0.00 C ATOM 942 CG GLU A 61 0.276 0.750 7.724 1.00 0.00 C ATOM 943 CD GLU A 61 0.805 -0.257 8.733 1.00 0.00 C ATOM 944 OE1 GLU A 61 1.542 0.205 9.636 1.00 0.00 O ATOM 945 OE2 GLU A 61 0.535 -1.462 8.535 1.00 0.00 O ATOM 0 H GLU A 61 -0.714 2.818 6.138 1.00 0.00 H new ATOM 0 HA GLU A 61 1.538 1.687 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.752 -0.006 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.091 1.606 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.075 1.700 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.670 0.399 7.312 1.00 0.00 H new ATOM 952 N ILE A 62 0.173 -0.414 3.995 1.00 0.00 N ATOM 953 CA ILE A 62 -0.615 -1.527 3.500 1.00 0.00 C ATOM 954 C ILE A 62 0.174 -2.793 3.852 1.00 0.00 C ATOM 955 O ILE A 62 1.170 -3.117 3.201 1.00 0.00 O ATOM 956 CB ILE A 62 -0.910 -1.386 1.990 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.680 -0.096 1.633 1.00 0.00 C ATOM 958 CG2 ILE A 62 -1.765 -2.577 1.528 1.00 0.00 C ATOM 959 CD1 ILE A 62 -0.788 1.124 1.364 1.00 0.00 C ATOM 0 H ILE A 62 1.161 -0.487 3.751 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.601 -1.564 3.962 1.00 0.00 H new ATOM 0 HB ILE A 62 0.058 -1.352 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.291 -0.285 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.363 0.142 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.976 -2.482 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.224 -3.506 1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.703 -2.589 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.412 1.984 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.195 1.344 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.122 0.911 0.528 1.00 0.00 H new ATOM 971 N SER A 63 -0.244 -3.474 4.919 1.00 0.00 N ATOM 972 CA SER A 63 0.312 -4.714 5.433 1.00 0.00 C ATOM 973 C SER A 63 -0.470 -5.896 4.837 1.00 0.00 C ATOM 974 O SER A 63 -1.689 -5.944 4.980 1.00 0.00 O ATOM 975 CB SER A 63 0.237 -4.641 6.973 1.00 0.00 C ATOM 976 OG SER A 63 -0.637 -3.600 7.404 1.00 0.00 O ATOM 0 H SER A 63 -1.031 -3.148 5.480 1.00 0.00 H new ATOM 0 HA SER A 63 1.354 -4.860 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.110 -5.596 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.234 -4.472 7.379 1.00 0.00 H new ATOM 0 HG SER A 63 -0.110 -2.812 7.651 1.00 0.00 H new ATOM 982 N PHE A 64 0.194 -6.835 4.143 1.00 0.00 N ATOM 983 CA PHE A 64 -0.491 -7.924 3.443 1.00 0.00 C ATOM 984 C PHE A 64 0.351 -9.201 3.374 1.00 0.00 C ATOM 985 O PHE A 64 1.539 -9.201 3.696 1.00 0.00 O ATOM 986 CB PHE A 64 -0.938 -7.460 2.045 1.00 0.00 C ATOM 987 CG PHE A 64 0.171 -7.099 1.075 1.00 0.00 C ATOM 988 CD1 PHE A 64 0.735 -5.815 1.114 1.00 0.00 C ATOM 989 CD2 PHE A 64 0.565 -7.999 0.066 1.00 0.00 C ATOM 990 CE1 PHE A 64 1.652 -5.413 0.131 1.00 0.00 C ATOM 991 CE2 PHE A 64 1.477 -7.595 -0.924 1.00 0.00 C ATOM 992 CZ PHE A 64 2.011 -6.294 -0.902 1.00 0.00 C ATOM 0 H PHE A 64 1.210 -6.858 4.054 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.378 -8.181 4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.541 -8.250 1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.587 -6.592 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.462 -5.132 1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.165 -9.002 0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.083 -4.423 0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.768 -8.284 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.694 -5.974 -1.675 1.00 0.00 H new ATOM 1002 N LYS A 65 -0.291 -10.301 2.960 1.00 0.00 N ATOM 1003 CA LYS A 65 0.307 -11.620 2.797 1.00 0.00 C ATOM 1004 C LYS A 65 0.091 -12.055 1.350 1.00 0.00 C ATOM 1005 O LYS A 65 -1.030 -12.383 0.968 1.00 0.00 O ATOM 1006 CB LYS A 65 -0.363 -12.607 3.775 1.00 0.00 C ATOM 1007 CG LYS A 65 0.504 -13.811 4.185 1.00 0.00 C ATOM 1008 CD LYS A 65 0.874 -14.805 3.066 1.00 0.00 C ATOM 1009 CE LYS A 65 2.390 -14.802 2.804 1.00 0.00 C ATOM 1010 NZ LYS A 65 2.810 -15.825 1.826 1.00 0.00 N ATOM 0 H LYS A 65 -1.283 -10.289 2.721 1.00 0.00 H new ATOM 0 HA LYS A 65 1.375 -11.599 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.651 -12.063 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.281 -12.979 3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.427 -13.433 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.021 -14.358 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.552 -15.808 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.343 -14.542 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.688 -13.818 2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.916 -14.969 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.839 -15.963 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.327 -16.722 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.560 -15.511 0.866 1.00 0.00 H new ATOM 1024 N LEU A 66 1.153 -12.085 0.540 1.00 0.00 N ATOM 1025 CA LEU A 66 1.090 -12.688 -0.786 1.00 0.00 C ATOM 1026 C LEU A 66 0.732 -14.176 -0.670 1.00 0.00 C ATOM 1027 O LEU A 66 1.592 -15.009 -0.397 1.00 0.00 O ATOM 1028 CB LEU A 66 2.382 -12.422 -1.581 1.00 0.00 C ATOM 1029 CG LEU A 66 3.697 -12.799 -0.868 1.00 0.00 C ATOM 1030 CD1 LEU A 66 4.406 -13.982 -1.531 1.00 0.00 C ATOM 1031 CD2 LEU A 66 4.668 -11.617 -0.901 1.00 0.00 C ATOM 0 H LEU A 66 2.065 -11.698 0.783 1.00 0.00 H new ATOM 0 HA LEU A 66 0.293 -12.217 -1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.329 -12.973 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.419 -11.363 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 66 3.424 -13.070 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.325 -14.205 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.753 -14.854 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.646 -13.730 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.594 -11.892 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.885 -11.353 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.218 -10.763 -0.395 1.00 0.00 H new ATOM 1043 N GLY A 67 -0.549 -14.498 -0.833 1.00 0.00 N ATOM 1044 CA GLY A 67 -1.095 -15.844 -0.931 1.00 0.00 C ATOM 1045 C GLY A 67 -2.395 -15.990 -0.137 1.00 0.00 C ATOM 1046 O GLY A 67 -2.627 -17.055 0.430 1.00 0.00 O ATOM 0 H GLY A 67 -1.273 -13.783 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.279 -16.086 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.362 -16.561 -0.562 1.00 0.00 H new ATOM 1050 N VAL A 68 -3.220 -14.936 -0.047 1.00 0.00 N ATOM 1051 CA VAL A 68 -4.398 -14.902 0.821 1.00 0.00 C ATOM 1052 C VAL A 68 -5.461 -13.981 0.200 1.00 0.00 C ATOM 1053 O VAL A 68 -5.107 -13.009 -0.473 1.00 0.00 O ATOM 1054 CB VAL A 68 -3.991 -14.424 2.239 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -5.141 -14.475 3.254 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -2.875 -15.277 2.857 1.00 0.00 C ATOM 0 H VAL A 68 -3.084 -14.078 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.823 -15.901 0.914 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.666 -13.398 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.786 -14.127 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.955 -13.834 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.500 -15.500 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.632 -14.895 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.210 -16.311 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.989 -15.231 2.224 1.00 0.00 H new ATOM 1066 N GLU A 69 -6.747 -14.283 0.447 1.00 0.00 N ATOM 1067 CA GLU A 69 -7.873 -13.364 0.298 1.00 0.00 C ATOM 1068 C GLU A 69 -8.305 -12.928 1.703 1.00 0.00 C ATOM 1069 O GLU A 69 -8.595 -13.790 2.532 1.00 0.00 O ATOM 1070 CB GLU A 69 -9.021 -14.015 -0.510 1.00 0.00 C ATOM 1071 CG GLU A 69 -10.271 -13.112 -0.523 1.00 0.00 C ATOM 1072 CD GLU A 69 -11.290 -13.366 -1.633 1.00 0.00 C ATOM 1073 OE1 GLU A 69 -10.899 -13.623 -2.791 1.00 0.00 O ATOM 1074 OE2 GLU A 69 -12.502 -13.139 -1.384 1.00 0.00 O ATOM 0 H GLU A 69 -7.034 -15.208 0.767 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.582 -12.483 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.691 -14.200 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.272 -14.983 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.778 -13.220 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.941 -12.076 -0.595 1.00 0.00 H new ATOM 1081 N PHE A 70 -8.301 -11.622 2.004 1.00 0.00 N ATOM 1082 CA PHE A 70 -8.591 -11.110 3.343 1.00 0.00 C ATOM 1083 C PHE A 70 -8.989 -9.630 3.301 1.00 0.00 C ATOM 1084 O PHE A 70 -8.638 -8.908 2.364 1.00 0.00 O ATOM 1085 CB PHE A 70 -7.396 -11.326 4.287 1.00 0.00 C ATOM 1086 CG PHE A 70 -6.187 -10.462 3.980 1.00 0.00 C ATOM 1087 CD1 PHE A 70 -5.315 -10.806 2.931 1.00 0.00 C ATOM 1088 CD2 PHE A 70 -6.019 -9.236 4.649 1.00 0.00 C ATOM 1089 CE1 PHE A 70 -4.302 -9.918 2.535 1.00 0.00 C ATOM 1090 CE2 PHE A 70 -5.039 -8.327 4.220 1.00 0.00 C ATOM 1091 CZ PHE A 70 -4.202 -8.655 3.143 1.00 0.00 C ATOM 0 H PHE A 70 -8.096 -10.892 1.321 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.439 -11.673 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.717 -11.129 5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.099 -12.374 4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.425 -11.756 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.645 -8.993 5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.601 -10.205 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.929 -7.375 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.481 -7.937 2.781 1.00 0.00 H new ATOM 1101 N ASP A 71 -9.750 -9.190 4.310 1.00 0.00 N ATOM 1102 CA ASP A 71 -10.215 -7.814 4.417 1.00 0.00 C ATOM 1103 C ASP A 71 -9.034 -6.874 4.657 1.00 0.00 C ATOM 1104 O ASP A 71 -8.301 -7.034 5.631 1.00 0.00 O ATOM 1105 CB ASP A 71 -11.273 -7.671 5.512 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.889 -6.279 5.451 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.302 -5.356 6.057 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.937 -6.159 4.780 1.00 0.00 O ATOM 0 H ASP A 71 -10.059 -9.787 5.077 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.687 -7.536 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.047 -8.428 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.823 -7.837 6.491 1.00 0.00 H new ATOM 1113 N GLU A 72 -8.840 -5.927 3.742 1.00 0.00 N ATOM 1114 CA GLU A 72 -7.781 -4.938 3.764 1.00 0.00 C ATOM 1115 C GLU A 72 -8.474 -3.588 3.959 1.00 0.00 C ATOM 1116 O GLU A 72 -8.986 -2.987 3.016 1.00 0.00 O ATOM 1117 CB GLU A 72 -6.989 -5.079 2.457 1.00 0.00 C ATOM 1118 CG GLU A 72 -5.654 -4.327 2.395 1.00 0.00 C ATOM 1119 CD GLU A 72 -4.999 -4.556 1.038 1.00 0.00 C ATOM 1120 OE1 GLU A 72 -5.628 -4.208 0.019 1.00 0.00 O ATOM 1121 OE2 GLU A 72 -3.904 -5.159 0.962 1.00 0.00 O ATOM 0 H GLU A 72 -9.449 -5.829 2.930 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.055 -5.056 4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.795 -6.138 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.617 -4.733 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.818 -3.261 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.994 -4.671 3.191 1.00 0.00 H new ATOM 1128 N THR A 73 -8.547 -3.144 5.213 1.00 0.00 N ATOM 1129 CA THR A 73 -9.143 -1.876 5.592 1.00 0.00 C ATOM 1130 C THR A 73 -8.022 -0.890 5.897 1.00 0.00 C ATOM 1131 O THR A 73 -7.407 -0.970 6.958 1.00 0.00 O ATOM 1132 CB THR A 73 -10.119 -2.105 6.753 1.00 0.00 C ATOM 1133 OG1 THR A 73 -11.272 -2.738 6.269 1.00 0.00 O ATOM 1134 CG2 THR A 73 -10.680 -0.834 7.353 1.00 0.00 C ATOM 0 H THR A 73 -8.184 -3.672 6.007 1.00 0.00 H new ATOM 0 HA THR A 73 -9.734 -1.441 4.786 1.00 0.00 H new ATOM 0 HB THR A 73 -9.539 -2.664 7.487 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.140 -3.709 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.360 -1.085 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.864 -0.222 7.738 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.220 -0.278 6.587 1.00 0.00 H new ATOM 1142 N THR A 74 -7.748 0.020 4.957 1.00 0.00 N ATOM 1143 CA THR A 74 -6.672 0.998 5.058 1.00 0.00 C ATOM 1144 C THR A 74 -7.214 2.386 4.719 1.00 0.00 C ATOM 1145 O THR A 74 -8.095 2.530 3.869 1.00 0.00 O ATOM 1146 CB THR A 74 -5.500 0.596 4.147 1.00 0.00 C ATOM 1147 OG1 THR A 74 -4.569 1.659 4.076 1.00 0.00 O ATOM 1148 CG2 THR A 74 -5.951 0.193 2.740 1.00 0.00 C ATOM 0 H THR A 74 -8.281 0.095 4.090 1.00 0.00 H new ATOM 0 HA THR A 74 -6.290 1.026 6.078 1.00 0.00 H new ATOM 0 HB THR A 74 -5.032 -0.284 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.554 2.020 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.081 -0.080 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.628 -0.659 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.465 1.031 2.269 1.00 0.00 H new ATOM 1156 N ALA A 75 -6.671 3.424 5.364 1.00 0.00 N ATOM 1157 CA ALA A 75 -7.096 4.811 5.207 1.00 0.00 C ATOM 1158 C ALA A 75 -6.570 5.431 3.907 1.00 0.00 C ATOM 1159 O ALA A 75 -6.128 6.579 3.894 1.00 0.00 O ATOM 1160 CB ALA A 75 -6.669 5.615 6.441 1.00 0.00 C ATOM 0 H ALA A 75 -5.903 3.315 6.027 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.183 4.837 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.985 6.652 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.133 5.190 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.585 5.575 6.544 1.00 0.00 H new ATOM 1166 N ASP A 76 -6.657 4.678 2.811 1.00 0.00 N ATOM 1167 CA ASP A 76 -6.422 5.127 1.455 1.00 0.00 C ATOM 1168 C ASP A 76 -7.293 4.295 0.518 1.00 0.00 C ATOM 1169 O ASP A 76 -8.254 4.827 -0.026 1.00 0.00 O ATOM 1170 CB ASP A 76 -4.933 5.135 1.080 1.00 0.00 C ATOM 1171 CG ASP A 76 -4.233 3.781 1.043 1.00 0.00 C ATOM 1172 OD1 ASP A 76 -4.724 2.850 1.719 1.00 0.00 O ATOM 1173 OD2 ASP A 76 -3.215 3.716 0.319 1.00 0.00 O ATOM 0 H ASP A 76 -6.906 3.690 2.856 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.713 6.173 1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.831 5.599 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.406 5.772 1.790 1.00 0.00 H new ATOM 1178 N ASP A 77 -7.020 3.000 0.353 1.00 0.00 N ATOM 1179 CA ASP A 77 -7.837 2.133 -0.493 1.00 0.00 C ATOM 1180 C ASP A 77 -9.236 1.919 0.104 1.00 0.00 C ATOM 1181 O ASP A 77 -10.132 1.465 -0.610 1.00 0.00 O ATOM 1182 CB ASP A 77 -7.114 0.811 -0.802 1.00 0.00 C ATOM 1183 CG ASP A 77 -6.134 0.944 -1.965 1.00 0.00 C ATOM 1184 OD1 ASP A 77 -6.631 1.107 -3.103 1.00 0.00 O ATOM 1185 OD2 ASP A 77 -4.914 0.846 -1.723 1.00 0.00 O ATOM 0 H ASP A 77 -6.233 2.527 0.798 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.984 2.638 -1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.577 0.477 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.851 0.043 -1.037 1.00 0.00 H new ATOM 1190 N ARG A 78 -9.447 2.293 1.374 1.00 0.00 N ATOM 1191 CA ARG A 78 -10.677 2.147 2.145 1.00 0.00 C ATOM 1192 C ARG A 78 -10.776 0.697 2.637 1.00 0.00 C ATOM 1193 O ARG A 78 -9.752 0.035 2.808 1.00 0.00 O ATOM 1194 CB ARG A 78 -11.949 2.643 1.416 1.00 0.00 C ATOM 1195 CG ARG A 78 -11.929 4.087 0.874 1.00 0.00 C ATOM 1196 CD ARG A 78 -11.500 4.268 -0.592 1.00 0.00 C ATOM 1197 NE ARG A 78 -11.965 3.183 -1.468 1.00 0.00 N ATOM 1198 CZ ARG A 78 -13.098 3.134 -2.183 1.00 0.00 C ATOM 1199 NH1 ARG A 78 -13.966 4.149 -2.130 1.00 0.00 N ATOM 1200 NH2 ARG A 78 -13.363 2.053 -2.927 1.00 0.00 N ATOM 0 H ARG A 78 -8.709 2.735 1.922 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.622 2.813 3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.144 1.971 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.790 2.551 2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.927 4.508 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.259 4.676 1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.887 5.217 -0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.413 4.326 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.353 2.371 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.766 4.961 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.828 4.112 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.705 1.274 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.223 2.008 -3.474 1.00 0.00 H new ATOM 1214 N LYS A 79 -11.999 0.206 2.868 1.00 0.00 N ATOM 1215 CA LYS A 79 -12.273 -1.208 3.062 1.00 0.00 C ATOM 1216 C LYS A 79 -12.342 -1.859 1.688 1.00 0.00 C ATOM 1217 O LYS A 79 -13.281 -1.594 0.937 1.00 0.00 O ATOM 1218 CB LYS A 79 -13.595 -1.386 3.823 1.00 0.00 C ATOM 1219 CG LYS A 79 -13.886 -2.874 4.064 1.00 0.00 C ATOM 1220 CD LYS A 79 -15.252 -3.065 4.728 1.00 0.00 C ATOM 1221 CE LYS A 79 -15.415 -4.551 5.072 1.00 0.00 C ATOM 1222 NZ LYS A 79 -16.766 -4.877 5.560 1.00 0.00 N ATOM 0 H LYS A 79 -12.831 0.793 2.925 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.488 -1.678 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.545 -0.861 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.410 -0.938 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.860 -3.412 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.108 -3.303 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.325 -2.456 5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.049 -2.740 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.198 -5.150 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.683 -4.826 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.821 -5.893 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.966 -4.328 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.466 -4.641 4.828 1.00 0.00 H new ATOM 1236 N VAL A 80 -11.379 -2.721 1.370 1.00 0.00 N ATOM 1237 CA VAL A 80 -11.401 -3.539 0.170 1.00 0.00 C ATOM 1238 C VAL A 80 -11.059 -4.956 0.605 1.00 0.00 C ATOM 1239 O VAL A 80 -10.183 -5.125 1.448 1.00 0.00 O ATOM 1240 CB VAL A 80 -10.408 -2.976 -0.864 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.692 -1.490 -1.111 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -8.940 -3.101 -0.418 1.00 0.00 C ATOM 0 H VAL A 80 -10.553 -2.869 1.949 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.377 -3.536 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.548 -3.567 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.985 -1.101 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.708 -1.372 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.586 -0.939 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.289 -2.687 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.795 -2.553 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.695 -4.152 -0.262 1.00 0.00 H new ATOM 1252 N LYS A 81 -11.733 -5.987 0.088 1.00 0.00 N ATOM 1253 CA LYS A 81 -11.253 -7.329 0.354 1.00 0.00 C ATOM 1254 C LYS A 81 -10.105 -7.599 -0.611 1.00 0.00 C ATOM 1255 O LYS A 81 -10.312 -7.700 -1.818 1.00 0.00 O ATOM 1256 CB LYS A 81 -12.357 -8.395 0.303 1.00 0.00 C ATOM 1257 CG LYS A 81 -11.929 -9.507 1.277 1.00 0.00 C ATOM 1258 CD LYS A 81 -12.365 -10.910 0.876 1.00 0.00 C ATOM 1259 CE LYS A 81 -13.872 -11.162 0.916 1.00 0.00 C ATOM 1260 NZ LYS A 81 -14.148 -12.579 0.606 1.00 0.00 N ATOM 0 H LYS A 81 -12.572 -5.919 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.894 -7.394 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.319 -7.973 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.473 -8.787 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.843 -9.492 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.336 -9.283 2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.007 -11.109 -0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.876 -11.627 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.266 -10.912 1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.377 -10.517 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.097 -12.665 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.441 -12.931 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.101 -13.141 1.480 1.00 0.00 H new ATOM 1274 N SER A 82 -8.883 -7.662 -0.096 1.00 0.00 N ATOM 1275 CA SER A 82 -7.739 -7.953 -0.934 1.00 0.00 C ATOM 1276 C SER A 82 -7.752 -9.434 -1.285 1.00 0.00 C ATOM 1277 O SER A 82 -8.211 -10.249 -0.485 1.00 0.00 O ATOM 1278 CB SER A 82 -6.457 -7.567 -0.207 1.00 0.00 C ATOM 1279 OG SER A 82 -6.272 -8.373 0.935 1.00 0.00 O ATOM 0 H SER A 82 -8.665 -7.516 0.890 1.00 0.00 H new ATOM 0 HA SER A 82 -7.787 -7.374 -1.856 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.605 -7.677 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.500 -6.518 0.085 1.00 0.00 H new ATOM 0 HG SER A 82 -5.326 -8.368 1.189 1.00 0.00 H new ATOM 1285 N ILE A 83 -7.225 -9.768 -2.459 1.00 0.00 N ATOM 1286 CA ILE A 83 -6.837 -11.113 -2.828 1.00 0.00 C ATOM 1287 C ILE A 83 -5.497 -10.973 -3.536 1.00 0.00 C ATOM 1288 O ILE A 83 -5.420 -10.419 -4.632 1.00 0.00 O ATOM 1289 CB ILE A 83 -7.938 -11.858 -3.611 1.00 0.00 C ATOM 1290 CG1 ILE A 83 -7.323 -13.031 -4.400 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -8.774 -10.920 -4.494 1.00 0.00 C ATOM 1292 CD1 ILE A 83 -8.345 -14.080 -4.847 1.00 0.00 C ATOM 0 H ILE A 83 -7.054 -9.085 -3.197 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.715 -11.763 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.644 -12.272 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.813 -12.637 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.566 -13.515 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.533 -11.498 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.258 -10.169 -3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.125 -10.427 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.836 -14.873 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.839 -14.503 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.089 -13.612 -5.492 1.00 0.00 H new ATOM 1304 N VAL A 84 -4.428 -11.399 -2.860 1.00 0.00 N ATOM 1305 CA VAL A 84 -3.069 -11.149 -3.300 1.00 0.00 C ATOM 1306 C VAL A 84 -2.249 -12.426 -3.221 1.00 0.00 C ATOM 1307 O VAL A 84 -2.385 -13.191 -2.267 1.00 0.00 O ATOM 1308 CB VAL A 84 -2.462 -9.964 -2.526 1.00 0.00 C ATOM 1309 CG1 VAL A 84 -2.390 -10.175 -1.009 1.00 0.00 C ATOM 1310 CG2 VAL A 84 -1.064 -9.617 -3.055 1.00 0.00 C ATOM 0 H VAL A 84 -4.489 -11.928 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.065 -10.852 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.148 -9.135 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.951 -9.295 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.394 -10.333 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.774 -11.048 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.659 -8.777 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.408 -10.480 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.130 -9.347 -4.109 1.00 0.00 H new ATOM 1320 N THR A 85 -1.404 -12.633 -4.233 1.00 0.00 N ATOM 1321 CA THR A 85 -0.416 -13.693 -4.337 1.00 0.00 C ATOM 1322 C THR A 85 0.658 -13.216 -5.316 1.00 0.00 C ATOM 1323 O THR A 85 0.517 -12.133 -5.892 1.00 0.00 O ATOM 1324 CB THR A 85 -1.072 -15.012 -4.787 1.00 0.00 C ATOM 1325 OG1 THR A 85 -0.078 -16.028 -4.815 1.00 0.00 O ATOM 1326 CG2 THR A 85 -1.801 -14.877 -6.132 1.00 0.00 C ATOM 0 H THR A 85 -1.396 -12.023 -5.050 1.00 0.00 H new ATOM 0 HA THR A 85 0.038 -13.901 -3.368 1.00 0.00 H new ATOM 0 HB THR A 85 -1.846 -15.285 -4.069 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.038 -16.422 -5.711 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.245 -15.835 -6.403 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.585 -14.124 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.091 -14.576 -6.902 1.00 0.00 H new ATOM 1334 N LEU A 86 1.705 -14.020 -5.513 1.00 0.00 N ATOM 1335 CA LEU A 86 2.573 -13.946 -6.674 1.00 0.00 C ATOM 1336 C LEU A 86 2.738 -15.362 -7.203 1.00 0.00 C ATOM 1337 O LEU A 86 3.162 -16.250 -6.466 1.00 0.00 O ATOM 1338 CB LEU A 86 3.896 -13.220 -6.369 1.00 0.00 C ATOM 1339 CG LEU A 86 5.035 -14.013 -5.705 1.00 0.00 C ATOM 1340 CD1 LEU A 86 5.912 -14.764 -6.719 1.00 0.00 C ATOM 1341 CD2 LEU A 86 5.967 -13.022 -5.001 1.00 0.00 C ATOM 0 H LEU A 86 1.972 -14.751 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 86 2.128 -13.331 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.277 -12.817 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.667 -12.370 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 86 4.567 -14.731 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.698 -15.304 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.298 -15.470 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.363 -14.051 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.782 -13.566 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.375 -12.324 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.408 -12.470 -4.246 1.00 0.00 H new ATOM 1353 N ASP A 87 2.365 -15.547 -8.468 1.00 0.00 N ATOM 1354 CA ASP A 87 2.365 -16.783 -9.231 1.00 0.00 C ATOM 1355 C ASP A 87 1.749 -16.424 -10.580 1.00 0.00 C ATOM 1356 O ASP A 87 1.263 -15.303 -10.750 1.00 0.00 O ATOM 1357 CB ASP A 87 1.597 -17.920 -8.542 1.00 0.00 C ATOM 1358 CG ASP A 87 0.133 -17.582 -8.304 1.00 0.00 C ATOM 1359 OD1 ASP A 87 -0.627 -17.652 -9.292 1.00 0.00 O ATOM 1360 OD2 ASP A 87 -0.198 -17.270 -7.139 1.00 0.00 O ATOM 0 H ASP A 87 2.027 -14.765 -9.029 1.00 0.00 H new ATOM 0 HA ASP A 87 3.379 -17.171 -9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.663 -18.820 -9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.072 -18.148 -7.588 1.00 0.00 H new ATOM 1365 N GLY A 88 1.862 -17.318 -11.563 1.00 0.00 N ATOM 1366 CA GLY A 88 1.517 -17.017 -12.944 1.00 0.00 C ATOM 1367 C GLY A 88 2.552 -16.069 -13.555 1.00 0.00 C ATOM 1368 O GLY A 88 3.275 -16.445 -14.474 1.00 0.00 O ATOM 0 H GLY A 88 2.196 -18.271 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.471 -17.939 -13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.527 -16.563 -12.988 1.00 0.00 H new ATOM 1372 N GLY A 89 2.642 -14.846 -13.029 1.00 0.00 N ATOM 1373 CA GLY A 89 3.613 -13.855 -13.438 1.00 0.00 C ATOM 1374 C GLY A 89 3.319 -12.530 -12.741 1.00 0.00 C ATOM 1375 O GLY A 89 2.406 -11.827 -13.165 1.00 0.00 O ATOM 0 H GLY A 89 2.021 -14.519 -12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.619 -14.193 -13.189 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.580 -13.724 -14.520 1.00 0.00 H new ATOM 1379 N LYS A 90 4.131 -12.187 -11.729 1.00 0.00 N ATOM 1380 CA LYS A 90 4.151 -10.920 -10.981 1.00 0.00 C ATOM 1381 C LYS A 90 3.249 -11.024 -9.748 1.00 0.00 C ATOM 1382 O LYS A 90 2.415 -11.928 -9.683 1.00 0.00 O ATOM 1383 CB LYS A 90 3.793 -9.697 -11.853 1.00 0.00 C ATOM 1384 CG LYS A 90 4.664 -9.600 -13.118 1.00 0.00 C ATOM 1385 CD LYS A 90 4.078 -8.585 -14.103 1.00 0.00 C ATOM 1386 CE LYS A 90 4.886 -8.604 -15.408 1.00 0.00 C ATOM 1387 NZ LYS A 90 4.278 -7.755 -16.454 1.00 0.00 N ATOM 0 H LYS A 90 4.842 -12.834 -11.387 1.00 0.00 H new ATOM 0 HA LYS A 90 5.176 -10.752 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.744 -9.756 -12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.911 -8.788 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.678 -9.306 -12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.733 -10.578 -13.594 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.034 -8.823 -14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.098 -7.587 -13.666 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.902 -8.261 -15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.961 -9.629 -15.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.857 -7.799 -17.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.318 -8.096 -16.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.230 -6.772 -16.119 1.00 0.00 H new ATOM 1401 N LEU A 91 3.406 -10.129 -8.760 1.00 0.00 N ATOM 1402 CA LEU A 91 2.529 -10.166 -7.593 1.00 0.00 C ATOM 1403 C LEU A 91 1.233 -9.441 -7.939 1.00 0.00 C ATOM 1404 O LEU A 91 1.257 -8.275 -8.335 1.00 0.00 O ATOM 1405 CB LEU A 91 3.230 -9.738 -6.290 1.00 0.00 C ATOM 1406 CG LEU A 91 3.053 -8.281 -5.853 1.00 0.00 C ATOM 1407 CD1 LEU A 91 1.762 -8.041 -5.064 1.00 0.00 C ATOM 1408 CD2 LEU A 91 4.213 -7.875 -4.947 1.00 0.00 C ATOM 0 H LEU A 91 4.112 -9.393 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 91 2.257 -11.194 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.871 -10.379 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.297 -9.932 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 91 3.017 -7.692 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.697 -6.990 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.904 -8.306 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.766 -8.656 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.086 -6.838 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.230 -8.518 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.152 -7.979 -5.490 1.00 0.00 H new ATOM 1420 N VAL A 92 0.116 -10.159 -7.836 1.00 0.00 N ATOM 1421 CA VAL A 92 -1.202 -9.759 -8.299 1.00 0.00 C ATOM 1422 C VAL A 92 -2.029 -9.325 -7.090 1.00 0.00 C ATOM 1423 O VAL A 92 -2.757 -10.134 -6.525 1.00 0.00 O ATOM 1424 CB VAL A 92 -1.867 -10.933 -9.060 1.00 0.00 C ATOM 1425 CG1 VAL A 92 -1.374 -11.031 -10.505 1.00 0.00 C ATOM 1426 CG2 VAL A 92 -1.639 -12.307 -8.416 1.00 0.00 C ATOM 0 H VAL A 92 0.111 -11.083 -7.404 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.131 -8.920 -8.992 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.930 -10.695 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.866 -11.867 -11.001 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.609 -10.107 -11.033 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.295 -11.189 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.137 -13.074 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.570 -12.517 -8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.048 -12.308 -7.406 1.00 0.00 H new ATOM 1436 N HIS A 93 -1.944 -8.055 -6.678 1.00 0.00 N ATOM 1437 CA HIS A 93 -2.818 -7.549 -5.626 1.00 0.00 C ATOM 1438 C HIS A 93 -4.161 -7.189 -6.251 1.00 0.00 C ATOM 1439 O HIS A 93 -4.422 -6.017 -6.539 1.00 0.00 O ATOM 1440 CB HIS A 93 -2.166 -6.376 -4.884 1.00 0.00 C ATOM 1441 CG HIS A 93 -3.000 -5.826 -3.748 1.00 0.00 C ATOM 1442 ND1 HIS A 93 -4.067 -4.950 -3.870 1.00 0.00 N ATOM 1443 CD2 HIS A 93 -2.793 -6.061 -2.414 1.00 0.00 C ATOM 1444 CE1 HIS A 93 -4.480 -4.643 -2.626 1.00 0.00 C ATOM 1445 NE2 HIS A 93 -3.723 -5.304 -1.729 1.00 0.00 N ATOM 0 H HIS A 93 -1.287 -7.371 -7.054 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.986 -8.314 -4.868 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.202 -6.699 -4.490 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.967 -5.575 -5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.047 -6.712 -1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -5.291 -3.972 -2.385 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.820 -5.254 -0.715 1.00 0.00 H new ATOM 1454 N VAL A 94 -4.997 -8.209 -6.448 1.00 0.00 N ATOM 1455 CA VAL A 94 -6.387 -8.032 -6.824 1.00 0.00 C ATOM 1456 C VAL A 94 -7.143 -7.578 -5.573 1.00 0.00 C ATOM 1457 O VAL A 94 -6.712 -7.830 -4.444 1.00 0.00 O ATOM 1458 CB VAL A 94 -6.931 -9.308 -7.494 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -8.419 -9.176 -7.849 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -6.156 -9.598 -8.787 1.00 0.00 C ATOM 0 H VAL A 94 -4.720 -9.186 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.518 -7.260 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.806 -10.121 -6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.764 -10.097 -8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.995 -8.994 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.556 -8.343 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.549 -10.502 -9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.267 -8.759 -9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.100 -9.739 -8.555 1.00 0.00 H new ATOM 1470 N GLN A 95 -8.196 -6.789 -5.764 1.00 0.00 N ATOM 1471 CA GLN A 95 -8.716 -5.935 -4.715 1.00 0.00 C ATOM 1472 C GLN A 95 -10.203 -5.694 -4.967 1.00 0.00 C ATOM 1473 O GLN A 95 -10.571 -4.971 -5.888 1.00 0.00 O ATOM 1474 CB GLN A 95 -7.853 -4.675 -4.739 1.00 0.00 C ATOM 1475 CG GLN A 95 -8.345 -3.546 -3.841 1.00 0.00 C ATOM 1476 CD GLN A 95 -7.385 -2.362 -3.893 1.00 0.00 C ATOM 1477 OE1 GLN A 95 -6.194 -2.538 -4.136 1.00 0.00 O ATOM 1478 NE2 GLN A 95 -7.903 -1.158 -3.691 1.00 0.00 N ATOM 0 H GLN A 95 -8.706 -6.727 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.661 -6.369 -3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.839 -4.941 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.799 -4.308 -5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.339 -3.229 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.435 -3.903 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.898 -1.058 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.306 -0.332 -3.735 1.00 0.00 H new ATOM 1487 N LYS A 96 -11.035 -6.345 -4.156 1.00 0.00 N ATOM 1488 CA LYS A 96 -12.442 -6.619 -4.383 1.00 0.00 C ATOM 1489 C LYS A 96 -13.248 -5.885 -3.312 1.00 0.00 C ATOM 1490 O LYS A 96 -13.311 -6.368 -2.181 1.00 0.00 O ATOM 1491 CB LYS A 96 -12.574 -8.148 -4.249 1.00 0.00 C ATOM 1492 CG LYS A 96 -13.962 -8.761 -4.468 1.00 0.00 C ATOM 1493 CD LYS A 96 -14.007 -10.204 -3.926 1.00 0.00 C ATOM 1494 CE LYS A 96 -12.826 -11.070 -4.405 1.00 0.00 C ATOM 1495 NZ LYS A 96 -12.896 -12.464 -3.914 1.00 0.00 N ATOM 0 H LYS A 96 -10.716 -6.719 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.809 -6.286 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.887 -8.608 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.236 -8.429 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.717 -8.155 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.204 -8.758 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.010 -10.176 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.941 -10.672 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.805 -11.075 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.892 -10.619 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.956 -12.904 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.208 -12.467 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.573 -13.002 -4.492 1.00 0.00 H new ATOM 1509 N TRP A 97 -13.854 -4.729 -3.616 1.00 0.00 N ATOM 1510 CA TRP A 97 -14.672 -4.046 -2.616 1.00 0.00 C ATOM 1511 C TRP A 97 -16.123 -4.506 -2.709 1.00 0.00 C ATOM 1512 O TRP A 97 -16.630 -5.099 -1.760 1.00 0.00 O ATOM 1513 CB TRP A 97 -14.486 -2.527 -2.642 1.00 0.00 C ATOM 1514 CG TRP A 97 -14.484 -1.821 -3.959 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -15.575 -1.335 -4.587 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -13.342 -1.381 -4.752 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -15.187 -0.617 -5.692 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -13.822 -0.615 -5.851 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -11.944 -1.505 -4.623 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -12.970 -0.017 -6.789 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -11.080 -0.861 -5.526 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -11.585 -0.157 -6.633 1.00 0.00 C ATOM 0 H TRP A 97 -13.794 -4.261 -4.521 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.321 -4.336 -1.626 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.277 -2.088 -2.034 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -13.541 -2.302 -2.146 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.596 -1.487 -4.270 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.835 -0.142 -6.320 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -11.532 -2.101 -3.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -13.375 0.543 -7.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -10.013 -0.908 -5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -10.910 0.273 -7.358 1.00 0.00 H new ATOM 1533 N ASN A 98 -16.789 -4.267 -3.843 1.00 0.00 N ATOM 1534 CA ASN A 98 -18.173 -4.696 -4.032 1.00 0.00 C ATOM 1535 C ASN A 98 -18.619 -4.521 -5.481 1.00 0.00 C ATOM 1536 O ASN A 98 -18.557 -5.470 -6.255 1.00 0.00 O ATOM 1537 CB ASN A 98 -19.157 -4.068 -3.018 1.00 0.00 C ATOM 1538 CG ASN A 98 -19.077 -2.548 -2.886 1.00 0.00 C ATOM 1539 OD1 ASN A 98 -18.122 -2.008 -2.341 1.00 0.00 O ATOM 1540 ND2 ASN A 98 -20.078 -1.832 -3.392 1.00 0.00 N ATOM 0 H ASN A 98 -16.389 -3.778 -4.644 1.00 0.00 H new ATOM 0 HA ASN A 98 -18.197 -5.764 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -20.173 -4.338 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -18.976 -4.511 -2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -20.059 -0.814 -3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -20.864 -2.301 -3.842 1.00 0.00 H new ATOM 1547 N GLY A 99 -19.086 -3.330 -5.861 1.00 0.00 N ATOM 1548 CA GLY A 99 -19.654 -3.121 -7.182 1.00 0.00 C ATOM 1549 C GLY A 99 -18.572 -3.089 -8.257 1.00 0.00 C ATOM 1550 O GLY A 99 -18.874 -3.246 -9.436 1.00 0.00 O ATOM 0 H GLY A 99 -19.079 -2.500 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.365 -3.917 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -20.210 -2.184 -7.196 1.00 0.00 H new ATOM 1554 N GLN A 100 -17.324 -2.821 -7.859 1.00 0.00 N ATOM 1555 CA GLN A 100 -16.166 -2.887 -8.723 1.00 0.00 C ATOM 1556 C GLN A 100 -15.036 -3.539 -7.929 1.00 0.00 C ATOM 1557 O GLN A 100 -15.134 -3.694 -6.705 1.00 0.00 O ATOM 1558 CB GLN A 100 -15.735 -1.498 -9.231 1.00 0.00 C ATOM 1559 CG GLN A 100 -16.856 -0.466 -9.443 1.00 0.00 C ATOM 1560 CD GLN A 100 -17.213 0.244 -8.139 1.00 0.00 C ATOM 1561 OE1 GLN A 100 -16.410 1.006 -7.609 1.00 0.00 O ATOM 1562 NE2 GLN A 100 -18.378 -0.024 -7.558 1.00 0.00 N ATOM 0 H GLN A 100 -17.098 -2.547 -6.903 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.412 -3.472 -9.609 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.019 -1.083 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.209 -1.629 -10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.541 0.268 -10.185 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.740 -0.963 -9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.038 -0.659 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.612 0.405 -6.663 1.00 0.00 H new ATOM 1571 N GLU A 101 -13.963 -3.862 -8.649 1.00 0.00 N ATOM 1572 CA GLU A 101 -12.707 -4.356 -8.127 1.00 0.00 C ATOM 1573 C GLU A 101 -11.586 -3.566 -8.806 1.00 0.00 C ATOM 1574 O GLU A 101 -11.842 -2.772 -9.716 1.00 0.00 O ATOM 1575 CB GLU A 101 -12.568 -5.857 -8.432 1.00 0.00 C ATOM 1576 CG GLU A 101 -13.826 -6.667 -8.081 1.00 0.00 C ATOM 1577 CD GLU A 101 -13.552 -8.167 -8.101 1.00 0.00 C ATOM 1578 OE1 GLU A 101 -12.551 -8.571 -7.470 1.00 0.00 O ATOM 1579 OE2 GLU A 101 -14.364 -8.888 -8.714 1.00 0.00 O ATOM 0 H GLU A 101 -13.955 -3.779 -9.666 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.658 -4.228 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.345 -5.986 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.720 -6.257 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.184 -6.375 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.620 -6.432 -8.790 1.00 0.00 H new ATOM 1586 N THR A 102 -10.344 -3.807 -8.392 1.00 0.00 N ATOM 1587 CA THR A 102 -9.151 -3.332 -9.071 1.00 0.00 C ATOM 1588 C THR A 102 -8.062 -4.402 -8.983 1.00 0.00 C ATOM 1589 O THR A 102 -8.127 -5.292 -8.132 1.00 0.00 O ATOM 1590 CB THR A 102 -8.721 -1.972 -8.493 1.00 0.00 C ATOM 1591 OG1 THR A 102 -7.653 -1.410 -9.219 1.00 0.00 O ATOM 1592 CG2 THR A 102 -8.258 -2.048 -7.045 1.00 0.00 C ATOM 0 H THR A 102 -10.139 -4.352 -7.554 1.00 0.00 H new ATOM 0 HA THR A 102 -9.351 -3.164 -10.129 1.00 0.00 H new ATOM 0 HB THR A 102 -9.619 -1.359 -8.562 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.730 -1.662 -10.163 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.970 -1.054 -6.702 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.070 -2.425 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.402 -2.719 -6.971 1.00 0.00 H new ATOM 1600 N SER A 103 -7.073 -4.295 -9.871 1.00 0.00 N ATOM 1601 CA SER A 103 -5.914 -5.163 -9.953 1.00 0.00 C ATOM 1602 C SER A 103 -4.666 -4.289 -9.949 1.00 0.00 C ATOM 1603 O SER A 103 -4.483 -3.494 -10.874 1.00 0.00 O ATOM 1604 CB SER A 103 -5.995 -6.000 -11.232 1.00 0.00 C ATOM 1605 OG SER A 103 -7.192 -6.756 -11.227 1.00 0.00 O ATOM 0 H SER A 103 -7.065 -3.564 -10.583 1.00 0.00 H new ATOM 0 HA SER A 103 -5.878 -5.846 -9.105 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.966 -5.350 -12.107 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.133 -6.664 -11.300 1.00 0.00 H new ATOM 0 HG SER A 103 -7.245 -7.291 -12.047 1.00 0.00 H new ATOM 1611 N LEU A 104 -3.826 -4.434 -8.918 1.00 0.00 N ATOM 1612 CA LEU A 104 -2.511 -3.815 -8.841 1.00 0.00 C ATOM 1613 C LEU A 104 -1.452 -4.905 -8.989 1.00 0.00 C ATOM 1614 O LEU A 104 -1.228 -5.675 -8.052 1.00 0.00 O ATOM 1615 CB LEU A 104 -2.346 -3.069 -7.512 1.00 0.00 C ATOM 1616 CG LEU A 104 -3.195 -1.791 -7.448 1.00 0.00 C ATOM 1617 CD1 LEU A 104 -4.397 -1.994 -6.527 1.00 0.00 C ATOM 1618 CD2 LEU A 104 -2.362 -0.623 -6.913 1.00 0.00 C ATOM 0 H LEU A 104 -4.053 -4.999 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.397 -3.085 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.626 -3.729 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.296 -2.812 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.539 -1.567 -8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.988 -1.079 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.013 -2.810 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.049 -2.239 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.978 0.275 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.003 -0.861 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.511 -0.451 -7.572 1.00 0.00 H new ATOM 1630 N VAL A 105 -0.803 -4.967 -10.155 1.00 0.00 N ATOM 1631 CA VAL A 105 0.257 -5.931 -10.429 1.00 0.00 C ATOM 1632 C VAL A 105 1.615 -5.258 -10.229 1.00 0.00 C ATOM 1633 O VAL A 105 1.925 -4.322 -10.967 1.00 0.00 O ATOM 1634 CB VAL A 105 0.115 -6.538 -11.837 1.00 0.00 C ATOM 1635 CG1 VAL A 105 -0.793 -7.767 -11.777 1.00 0.00 C ATOM 1636 CG2 VAL A 105 -0.429 -5.559 -12.881 1.00 0.00 C ATOM 0 H VAL A 105 -1.002 -4.344 -10.938 1.00 0.00 H new ATOM 0 HA VAL A 105 0.175 -6.762 -9.729 1.00 0.00 H new ATOM 0 HB VAL A 105 1.122 -6.808 -12.156 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.892 -8.195 -12.774 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.359 -8.508 -11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.776 -7.475 -11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.501 -6.059 -13.847 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.417 -5.215 -12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.243 -4.705 -12.964 1.00 0.00 H new ATOM 1646 N ARG A 106 2.397 -5.707 -9.233 1.00 0.00 N ATOM 1647 CA ARG A 106 3.738 -5.187 -8.946 1.00 0.00 C ATOM 1648 C ARG A 106 4.776 -6.249 -9.316 1.00 0.00 C ATOM 1649 O ARG A 106 4.561 -7.422 -9.003 1.00 0.00 O ATOM 1650 CB ARG A 106 3.918 -4.851 -7.450 1.00 0.00 C ATOM 1651 CG ARG A 106 2.925 -3.849 -6.848 1.00 0.00 C ATOM 1652 CD ARG A 106 2.989 -3.874 -5.312 1.00 0.00 C ATOM 1653 NE ARG A 106 2.273 -2.742 -4.694 1.00 0.00 N ATOM 1654 CZ ARG A 106 0.941 -2.614 -4.566 1.00 0.00 C ATOM 1655 NH1 ARG A 106 0.128 -3.532 -5.095 1.00 0.00 N ATOM 1656 NH2 ARG A 106 0.433 -1.564 -3.910 1.00 0.00 N ATOM 0 H ARG A 106 2.109 -6.451 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 106 3.869 -4.276 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.853 -5.779 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.925 -4.460 -7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.149 -2.846 -7.210 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.914 -4.088 -7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.563 -4.810 -4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.032 -3.855 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 106 2.845 -1.981 -4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.518 -4.330 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.883 -3.435 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.056 -0.863 -3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.577 -1.464 -3.811 1.00 0.00 H new ATOM 1670 N GLU A 107 5.905 -5.846 -9.916 1.00 0.00 N ATOM 1671 CA GLU A 107 7.107 -6.675 -9.971 1.00 0.00 C ATOM 1672 C GLU A 107 8.344 -5.825 -10.284 1.00 0.00 C ATOM 1673 O GLU A 107 8.218 -4.806 -10.963 1.00 0.00 O ATOM 1674 CB GLU A 107 6.931 -7.814 -10.990 1.00 0.00 C ATOM 1675 CG GLU A 107 8.080 -8.830 -10.990 1.00 0.00 C ATOM 1676 CD GLU A 107 8.326 -9.366 -9.589 1.00 0.00 C ATOM 1677 OE1 GLU A 107 7.596 -10.301 -9.200 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.187 -8.758 -8.915 1.00 0.00 O ATOM 0 H GLU A 107 6.006 -4.940 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 107 7.261 -7.126 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.997 -8.336 -10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.838 -7.385 -11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.843 -9.654 -11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.987 -8.360 -11.369 1.00 0.00 H new ATOM 1685 N MET A 108 9.530 -6.238 -9.815 1.00 0.00 N ATOM 1686 CA MET A 108 10.811 -5.686 -10.238 1.00 0.00 C ATOM 1687 C MET A 108 11.603 -6.744 -10.993 1.00 0.00 C ATOM 1688 O MET A 108 12.216 -7.620 -10.389 1.00 0.00 O ATOM 1689 CB MET A 108 11.623 -5.113 -9.062 1.00 0.00 C ATOM 1690 CG MET A 108 12.993 -4.576 -9.514 1.00 0.00 C ATOM 1691 SD MET A 108 14.378 -5.748 -9.422 1.00 0.00 S ATOM 1692 CE MET A 108 15.000 -5.330 -7.772 1.00 0.00 C ATOM 0 H MET A 108 9.620 -6.978 -9.119 1.00 0.00 H new ATOM 0 HA MET A 108 10.609 -4.848 -10.905 1.00 0.00 H new ATOM 0 HB2 MET A 108 11.058 -4.311 -8.588 1.00 0.00 H new ATOM 0 HB3 MET A 108 11.768 -5.888 -8.310 1.00 0.00 H new ATOM 0 HG2 MET A 108 12.904 -4.230 -10.544 1.00 0.00 H new ATOM 0 HG3 MET A 108 13.239 -3.706 -8.906 1.00 0.00 H new ATOM 0 HE1 MET A 108 15.647 -6.131 -7.413 1.00 0.00 H new ATOM 0 HE2 MET A 108 15.567 -4.400 -7.822 1.00 0.00 H new ATOM 0 HE3 MET A 108 14.161 -5.208 -7.087 1.00 0.00 H new ATOM 1702 N VAL A 109 11.698 -6.559 -12.306 1.00 0.00 N ATOM 1703 CA VAL A 109 12.729 -7.162 -13.137 1.00 0.00 C ATOM 1704 C VAL A 109 13.534 -6.004 -13.719 1.00 0.00 C ATOM 1705 O VAL A 109 13.277 -4.852 -13.357 1.00 0.00 O ATOM 1706 CB VAL A 109 12.106 -8.092 -14.193 1.00 0.00 C ATOM 1707 CG1 VAL A 109 11.443 -9.295 -13.511 1.00 0.00 C ATOM 1708 CG2 VAL A 109 11.084 -7.372 -15.083 1.00 0.00 C ATOM 0 H VAL A 109 11.047 -5.974 -12.830 1.00 0.00 H new ATOM 0 HA VAL A 109 13.397 -7.811 -12.571 1.00 0.00 H new ATOM 0 HB VAL A 109 12.917 -8.430 -14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 109 11.005 -9.946 -14.267 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.191 -9.849 -12.943 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.661 -8.946 -12.837 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.676 -8.074 -15.810 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.277 -6.979 -14.465 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.573 -6.551 -15.607 1.00 0.00 H new ATOM 1718 N ASP A 110 14.514 -6.299 -14.577 1.00 0.00 N ATOM 1719 CA ASP A 110 15.407 -5.289 -15.125 1.00 0.00 C ATOM 1720 C ASP A 110 16.003 -4.480 -13.959 1.00 0.00 C ATOM 1721 O ASP A 110 16.704 -5.056 -13.127 1.00 0.00 O ATOM 1722 CB ASP A 110 14.645 -4.487 -16.195 1.00 0.00 C ATOM 1723 CG ASP A 110 15.454 -3.329 -16.752 1.00 0.00 C ATOM 1724 OD1 ASP A 110 16.330 -3.589 -17.600 1.00 0.00 O ATOM 1725 OD2 ASP A 110 15.187 -2.208 -16.263 1.00 0.00 O ATOM 0 H ASP A 110 14.706 -7.245 -14.908 1.00 0.00 H new ATOM 0 HA ASP A 110 16.266 -5.709 -15.648 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.365 -5.154 -17.011 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.720 -4.104 -15.764 1.00 0.00 H new ATOM 1730 N GLY A 111 15.678 -3.193 -13.835 1.00 0.00 N ATOM 1731 CA GLY A 111 16.142 -2.326 -12.768 1.00 0.00 C ATOM 1732 C GLY A 111 15.093 -1.270 -12.434 1.00 0.00 C ATOM 1733 O GLY A 111 15.441 -0.153 -12.054 1.00 0.00 O ATOM 0 H GLY A 111 15.066 -2.717 -14.498 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.362 -2.920 -11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.071 -1.841 -13.066 1.00 0.00 H new ATOM 1737 N LYS A 112 13.808 -1.624 -12.534 1.00 0.00 N ATOM 1738 CA LYS A 112 12.706 -0.789 -12.084 1.00 0.00 C ATOM 1739 C LYS A 112 11.626 -1.711 -11.527 1.00 0.00 C ATOM 1740 O LYS A 112 11.488 -2.845 -11.984 1.00 0.00 O ATOM 1741 CB LYS A 112 12.151 0.076 -13.226 1.00 0.00 C ATOM 1742 CG LYS A 112 13.034 1.290 -13.564 1.00 0.00 C ATOM 1743 CD LYS A 112 12.245 2.251 -14.469 1.00 0.00 C ATOM 1744 CE LYS A 112 12.940 3.600 -14.709 1.00 0.00 C ATOM 1745 NZ LYS A 112 12.030 4.551 -15.390 1.00 0.00 N ATOM 0 H LYS A 112 13.507 -2.512 -12.936 1.00 0.00 H new ATOM 0 HA LYS A 112 13.054 -0.100 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.040 -0.541 -14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.155 0.426 -12.955 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.338 1.799 -12.650 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.945 0.964 -14.066 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.072 1.768 -15.430 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.267 2.433 -14.023 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.265 4.020 -13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.834 3.450 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.367 4.720 -16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.070 4.151 -15.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.013 5.450 -14.868 1.00 0.00 H new ATOM 1759 N LEU A 113 10.881 -1.230 -10.530 1.00 0.00 N ATOM 1760 CA LEU A 113 9.738 -1.929 -9.973 1.00 0.00 C ATOM 1761 C LEU A 113 8.509 -1.421 -10.716 1.00 0.00 C ATOM 1762 O LEU A 113 7.992 -0.341 -10.431 1.00 0.00 O ATOM 1763 CB LEU A 113 9.692 -1.755 -8.448 1.00 0.00 C ATOM 1764 CG LEU A 113 8.717 -2.731 -7.760 1.00 0.00 C ATOM 1765 CD1 LEU A 113 9.138 -2.928 -6.302 1.00 0.00 C ATOM 1766 CD2 LEU A 113 7.270 -2.239 -7.789 1.00 0.00 C ATOM 0 H LEU A 113 11.063 -0.330 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 113 9.795 -3.008 -10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.692 -1.902 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.399 -0.732 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 113 8.761 -3.669 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.449 -3.618 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.147 -3.338 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.118 -1.969 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.629 -2.966 -7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.201 -1.281 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.947 -2.119 -8.823 1.00 0.00 H new ATOM 1778 N ILE A 114 8.076 -2.188 -11.714 1.00 0.00 N ATOM 1779 CA ILE A 114 6.924 -1.869 -12.529 1.00 0.00 C ATOM 1780 C ILE A 114 5.685 -2.140 -11.686 1.00 0.00 C ATOM 1781 O ILE A 114 5.545 -3.229 -11.126 1.00 0.00 O ATOM 1782 CB ILE A 114 6.935 -2.697 -13.830 1.00 0.00 C ATOM 1783 CG1 ILE A 114 8.238 -2.476 -14.626 1.00 0.00 C ATOM 1784 CG2 ILE A 114 5.734 -2.309 -14.705 1.00 0.00 C ATOM 1785 CD1 ILE A 114 9.243 -3.617 -14.430 1.00 0.00 C ATOM 0 H ILE A 114 8.530 -3.063 -11.977 1.00 0.00 H new ATOM 0 HA ILE A 114 6.935 -0.823 -12.835 1.00 0.00 H new ATOM 0 HB ILE A 114 6.872 -3.750 -13.557 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.002 -2.382 -15.686 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.695 -1.536 -14.316 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.747 -2.897 -15.623 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.810 -2.505 -14.162 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.792 -1.249 -14.953 1.00 0.00 H new ATOM 0 HD11 ILE A 114 10.142 -3.413 -15.011 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.503 -3.696 -13.374 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.799 -4.554 -14.765 1.00 0.00 H new ATOM 1797 N LEU A 115 4.790 -1.151 -11.602 1.00 0.00 N ATOM 1798 CA LEU A 115 3.487 -1.307 -10.993 1.00 0.00 C ATOM 1799 C LEU A 115 2.460 -0.725 -11.964 1.00 0.00 C ATOM 1800 O LEU A 115 2.566 0.425 -12.397 1.00 0.00 O ATOM 1801 CB LEU A 115 3.514 -0.704 -9.579 1.00 0.00 C ATOM 1802 CG LEU A 115 2.192 -0.643 -8.796 1.00 0.00 C ATOM 1803 CD1 LEU A 115 1.353 0.582 -9.150 1.00 0.00 C ATOM 1804 CD2 LEU A 115 1.320 -1.890 -8.947 1.00 0.00 C ATOM 0 H LEU A 115 4.962 -0.213 -11.962 1.00 0.00 H new ATOM 0 HA LEU A 115 3.197 -2.345 -10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.228 -1.276 -8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.904 0.311 -9.656 1.00 0.00 H new ATOM 0 HG LEU A 115 2.514 -0.578 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.432 0.573 -8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.917 1.487 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.110 0.562 -10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.407 -1.768 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.065 -2.030 -9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.866 -2.762 -8.587 1.00 0.00 H new ATOM 1816 N THR A 116 1.491 -1.551 -12.361 1.00 0.00 N ATOM 1817 CA THR A 116 0.368 -1.135 -13.184 1.00 0.00 C ATOM 1818 C THR A 116 -0.906 -1.398 -12.382 1.00 0.00 C ATOM 1819 O THR A 116 -1.049 -2.457 -11.765 1.00 0.00 O ATOM 1820 CB THR A 116 0.407 -1.847 -14.547 1.00 0.00 C ATOM 1821 OG1 THR A 116 0.859 -3.174 -14.427 1.00 0.00 O ATOM 1822 CG2 THR A 116 1.412 -1.175 -15.477 1.00 0.00 C ATOM 0 H THR A 116 1.469 -2.540 -12.113 1.00 0.00 H new ATOM 0 HA THR A 116 0.409 -0.072 -13.421 1.00 0.00 H new ATOM 0 HB THR A 116 -0.612 -1.805 -14.933 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.870 -3.597 -15.311 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.424 -1.694 -16.436 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.126 -0.135 -15.631 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.405 -1.216 -15.030 1.00 0.00 H new ATOM 1830 N LEU A 117 -1.793 -0.399 -12.337 1.00 0.00 N ATOM 1831 CA LEU A 117 -3.044 -0.442 -11.601 1.00 0.00 C ATOM 1832 C LEU A 117 -4.187 -0.294 -12.606 1.00 0.00 C ATOM 1833 O LEU A 117 -4.194 0.649 -13.397 1.00 0.00 O ATOM 1834 CB LEU A 117 -3.060 0.591 -10.456 1.00 0.00 C ATOM 1835 CG LEU A 117 -2.617 2.026 -10.795 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -3.256 3.026 -9.831 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -1.109 2.225 -10.640 1.00 0.00 C ATOM 0 H LEU A 117 -1.649 0.483 -12.828 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.169 -1.399 -11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.073 0.636 -10.056 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.418 0.219 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.922 2.187 -11.829 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.932 4.035 -10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.341 2.963 -9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.951 2.794 -8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.850 3.254 -10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.819 2.019 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.582 1.544 -11.308 1.00 0.00 H new ATOM 1849 N THR A 118 -5.104 -1.266 -12.625 1.00 0.00 N ATOM 1850 CA THR A 118 -6.252 -1.318 -13.525 1.00 0.00 C ATOM 1851 C THR A 118 -7.533 -1.449 -12.706 1.00 0.00 C ATOM 1852 O THR A 118 -7.590 -2.289 -11.807 1.00 0.00 O ATOM 1853 CB THR A 118 -6.073 -2.517 -14.465 1.00 0.00 C ATOM 1854 OG1 THR A 118 -4.973 -2.260 -15.310 1.00 0.00 O ATOM 1855 CG2 THR A 118 -7.302 -2.793 -15.332 1.00 0.00 C ATOM 0 H THR A 118 -5.063 -2.064 -11.991 1.00 0.00 H new ATOM 0 HA THR A 118 -6.322 -0.406 -14.118 1.00 0.00 H new ATOM 0 HB THR A 118 -5.915 -3.398 -13.843 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.843 -3.018 -15.917 1.00 0.00 H new ATOM 0 HG21 THR A 118 -7.109 -3.653 -15.973 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.159 -3.002 -14.692 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.515 -1.920 -15.950 1.00 0.00 H new ATOM 1863 N HIS A 119 -8.567 -0.651 -13.006 1.00 0.00 N ATOM 1864 CA HIS A 119 -9.898 -0.854 -12.448 1.00 0.00 C ATOM 1865 C HIS A 119 -10.970 -0.501 -13.476 1.00 0.00 C ATOM 1866 O HIS A 119 -10.672 0.133 -14.488 1.00 0.00 O ATOM 1867 CB HIS A 119 -10.079 -0.043 -11.155 1.00 0.00 C ATOM 1868 CG HIS A 119 -10.666 1.337 -11.325 1.00 0.00 C ATOM 1869 ND1 HIS A 119 -10.347 2.253 -12.314 1.00 0.00 N ATOM 1870 CD2 HIS A 119 -11.707 1.837 -10.592 1.00 0.00 C ATOM 1871 CE1 HIS A 119 -11.188 3.298 -12.165 1.00 0.00 C ATOM 1872 NE2 HIS A 119 -12.007 3.071 -11.125 1.00 0.00 N ATOM 0 H HIS A 119 -8.499 0.146 -13.639 1.00 0.00 H new ATOM 0 HA HIS A 119 -10.008 -1.909 -12.196 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -10.720 -0.610 -10.479 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.108 0.052 -10.669 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -9.617 2.156 -13.019 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -12.198 1.358 -9.758 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -11.200 4.181 -12.787 1.00 0.00 H new ATOM 1881 N GLY A 120 -12.223 -0.840 -13.158 1.00 0.00 N ATOM 1882 CA GLY A 120 -13.394 -0.453 -13.927 1.00 0.00 C ATOM 1883 C GLY A 120 -13.344 1.026 -14.315 1.00 0.00 C ATOM 1884 O GLY A 120 -13.528 1.901 -13.473 1.00 0.00 O ATOM 0 H GLY A 120 -12.449 -1.404 -12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.458 -1.065 -14.827 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -14.294 -0.647 -13.344 1.00 0.00 H new ATOM 1888 N THR A 121 -13.083 1.294 -15.594 1.00 0.00 N ATOM 1889 CA THR A 121 -13.029 2.628 -16.172 1.00 0.00 C ATOM 1890 C THR A 121 -11.958 3.512 -15.515 1.00 0.00 C ATOM 1891 O THR A 121 -12.210 4.677 -15.230 1.00 0.00 O ATOM 1892 CB THR A 121 -14.428 3.272 -16.181 1.00 0.00 C ATOM 1893 OG1 THR A 121 -15.400 2.299 -16.509 1.00 0.00 O ATOM 1894 CG2 THR A 121 -14.546 4.377 -17.235 1.00 0.00 C ATOM 0 H THR A 121 -12.897 0.559 -16.277 1.00 0.00 H new ATOM 0 HA THR A 121 -12.714 2.531 -17.211 1.00 0.00 H new ATOM 0 HB THR A 121 -14.584 3.691 -15.187 1.00 0.00 H new ATOM 0 HG1 THR A 121 -16.289 2.712 -16.512 1.00 0.00 H new ATOM 0 HG21 THR A 121 -15.549 4.803 -17.205 1.00 0.00 H new ATOM 0 HG22 THR A 121 -13.814 5.158 -17.027 1.00 0.00 H new ATOM 0 HG23 THR A 121 -14.359 3.958 -18.224 1.00 0.00 H new ATOM 1902 N ALA A 122 -10.750 2.971 -15.311 1.00 0.00 N ATOM 1903 CA ALA A 122 -9.495 3.719 -15.426 1.00 0.00 C ATOM 1904 C ALA A 122 -8.338 2.740 -15.297 1.00 0.00 C ATOM 1905 O ALA A 122 -8.409 1.832 -14.463 1.00 0.00 O ATOM 1906 CB ALA A 122 -9.301 4.851 -14.404 1.00 0.00 C ATOM 0 H ALA A 122 -10.617 1.992 -15.059 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.531 4.210 -16.399 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.342 5.338 -14.578 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.104 5.581 -14.512 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.320 4.438 -13.395 1.00 0.00 H new ATOM 1912 N VAL A 123 -7.295 2.958 -16.100 1.00 0.00 N ATOM 1913 CA VAL A 123 -6.040 2.226 -16.106 1.00 0.00 C ATOM 1914 C VAL A 123 -4.938 3.244 -15.825 1.00 0.00 C ATOM 1915 O VAL A 123 -5.039 4.387 -16.268 1.00 0.00 O ATOM 1916 CB VAL A 123 -5.832 1.570 -17.484 1.00 0.00 C ATOM 1917 CG1 VAL A 123 -4.510 0.797 -17.538 1.00 0.00 C ATOM 1918 CG2 VAL A 123 -6.964 0.599 -17.826 1.00 0.00 C ATOM 0 H VAL A 123 -7.311 3.696 -16.804 1.00 0.00 H new ATOM 0 HA VAL A 123 -6.033 1.435 -15.356 1.00 0.00 H new ATOM 0 HB VAL A 123 -5.818 2.383 -18.209 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -4.392 0.346 -18.523 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.681 1.480 -17.350 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.515 0.015 -16.779 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -6.781 0.157 -18.805 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -7.007 -0.189 -17.074 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -7.912 1.137 -17.842 1.00 0.00 H new ATOM 1928 N CYS A 124 -3.894 2.856 -15.090 1.00 0.00 N ATOM 1929 CA CYS A 124 -2.782 3.741 -14.792 1.00 0.00 C ATOM 1930 C CYS A 124 -1.480 2.956 -14.628 1.00 0.00 C ATOM 1931 O CYS A 124 -1.372 2.083 -13.771 1.00 0.00 O ATOM 1932 CB CYS A 124 -3.133 4.591 -13.560 1.00 0.00 C ATOM 1933 SG CYS A 124 -1.651 5.117 -12.659 1.00 0.00 S ATOM 0 H CYS A 124 -3.802 1.923 -14.689 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.612 4.419 -15.629 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.698 5.469 -13.873 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -3.778 4.017 -12.895 1.00 0.00 H new ATOM 0 HG CYS A 124 -1.127 6.149 -13.251 1.00 0.00 H new ATOM 1939 N THR A 125 -0.456 3.356 -15.379 1.00 0.00 N ATOM 1940 CA THR A 125 0.929 2.990 -15.155 1.00 0.00 C ATOM 1941 C THR A 125 1.460 3.815 -13.985 1.00 0.00 C ATOM 1942 O THR A 125 1.174 5.019 -13.930 1.00 0.00 O ATOM 1943 CB THR A 125 1.695 3.373 -16.429 1.00 0.00 C ATOM 1944 OG1 THR A 125 1.271 4.669 -16.818 1.00 0.00 O ATOM 1945 CG2 THR A 125 1.395 2.415 -17.584 1.00 0.00 C ATOM 0 H THR A 125 -0.579 3.966 -16.188 1.00 0.00 H new ATOM 0 HA THR A 125 1.039 1.929 -14.933 1.00 0.00 H new ATOM 0 HB THR A 125 2.763 3.332 -16.215 1.00 0.00 H new ATOM 0 HG1 THR A 125 1.113 5.215 -16.020 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.957 2.722 -18.466 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.686 1.403 -17.302 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.328 2.437 -17.807 1.00 0.00 H new ATOM 1953 N ARG A 126 2.230 3.211 -13.078 1.00 0.00 N ATOM 1954 CA ARG A 126 3.085 3.961 -12.175 1.00 0.00 C ATOM 1955 C ARG A 126 4.297 3.108 -11.814 1.00 0.00 C ATOM 1956 O ARG A 126 4.200 2.225 -10.971 1.00 0.00 O ATOM 1957 CB ARG A 126 2.303 4.452 -10.955 1.00 0.00 C ATOM 1958 CG ARG A 126 3.243 5.220 -10.021 1.00 0.00 C ATOM 1959 CD ARG A 126 2.460 6.075 -9.025 1.00 0.00 C ATOM 1960 NE ARG A 126 2.066 7.354 -9.644 1.00 0.00 N ATOM 1961 CZ ARG A 126 2.092 8.547 -9.033 1.00 0.00 C ATOM 1962 NH1 ARG A 126 2.249 8.642 -7.713 1.00 0.00 N ATOM 1963 NH2 ARG A 126 2.020 9.660 -9.757 1.00 0.00 N ATOM 0 H ARG A 126 2.274 2.199 -12.954 1.00 0.00 H new ATOM 0 HA ARG A 126 3.450 4.862 -12.667 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.482 5.095 -11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 126 1.861 3.606 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.876 4.517 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.904 5.857 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.573 5.536 -8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.069 6.264 -8.141 1.00 0.00 H new ATOM 0 HE ARG A 126 1.749 7.329 -10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.352 7.798 -7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.266 9.559 -7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.945 9.604 -10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.039 10.570 -9.297 1.00 0.00 H new ATOM 1977 N THR A 127 5.432 3.373 -12.454 1.00 0.00 N ATOM 1978 CA THR A 127 6.642 2.594 -12.269 1.00 0.00 C ATOM 1979 C THR A 127 7.546 3.293 -11.256 1.00 0.00 C ATOM 1980 O THR A 127 7.691 4.521 -11.248 1.00 0.00 O ATOM 1981 CB THR A 127 7.314 2.353 -13.622 1.00 0.00 C ATOM 1982 OG1 THR A 127 6.451 1.562 -14.419 1.00 0.00 O ATOM 1983 CG2 THR A 127 8.668 1.654 -13.486 1.00 0.00 C ATOM 0 H THR A 127 5.534 4.140 -13.119 1.00 0.00 H new ATOM 0 HA THR A 127 6.410 1.611 -11.860 1.00 0.00 H new ATOM 0 HB THR A 127 7.499 3.322 -14.086 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.868 1.400 -15.291 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.102 1.507 -14.475 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.336 2.270 -12.884 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.531 0.687 -13.002 1.00 0.00 H new ATOM 1991 N TYR A 128 8.130 2.474 -10.385 1.00 0.00 N ATOM 1992 CA TYR A 128 8.995 2.866 -9.299 1.00 0.00 C ATOM 1993 C TYR A 128 10.398 2.317 -9.558 1.00 0.00 C ATOM 1994 O TYR A 128 10.618 1.532 -10.481 1.00 0.00 O ATOM 1995 CB TYR A 128 8.416 2.323 -7.990 1.00 0.00 C ATOM 1996 CG TYR A 128 7.063 2.893 -7.601 1.00 0.00 C ATOM 1997 CD1 TYR A 128 5.891 2.371 -8.174 1.00 0.00 C ATOM 1998 CD2 TYR A 128 6.964 3.798 -6.527 1.00 0.00 C ATOM 1999 CE1 TYR A 128 4.634 2.769 -7.690 1.00 0.00 C ATOM 2000 CE2 TYR A 128 5.708 4.235 -6.079 1.00 0.00 C ATOM 2001 CZ TYR A 128 4.543 3.704 -6.648 1.00 0.00 C ATOM 2002 OH TYR A 128 3.321 4.091 -6.181 1.00 0.00 O ATOM 0 H TYR A 128 7.998 1.463 -10.429 1.00 0.00 H new ATOM 0 HA TYR A 128 9.061 3.951 -9.225 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.327 1.240 -8.071 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.123 2.525 -7.186 1.00 0.00 H new ATOM 0 HD1 TYR A 128 5.957 1.663 -8.987 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.861 4.158 -6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 128 3.735 2.354 -8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.640 4.978 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 128 3.438 4.743 -5.458 1.00 0.00 H new ATOM 2012 N GLU A 129 11.352 2.745 -8.739 1.00 0.00 N ATOM 2013 CA GLU A 129 12.768 2.453 -8.850 1.00 0.00 C ATOM 2014 C GLU A 129 13.235 2.066 -7.451 1.00 0.00 C ATOM 2015 O GLU A 129 12.720 2.621 -6.480 1.00 0.00 O ATOM 2016 CB GLU A 129 13.436 3.736 -9.332 1.00 0.00 C ATOM 2017 CG GLU A 129 14.846 3.575 -9.898 1.00 0.00 C ATOM 2018 CD GLU A 129 15.356 4.965 -10.217 1.00 0.00 C ATOM 2019 OE1 GLU A 129 14.653 5.678 -10.962 1.00 0.00 O ATOM 2020 OE2 GLU A 129 16.248 5.454 -9.494 1.00 0.00 O ATOM 0 H GLU A 129 11.141 3.338 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 129 13.005 1.646 -9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.806 4.187 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 129 13.476 4.438 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 129 15.497 3.081 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 129 14.834 2.954 -10.794 1.00 0.00 H new ATOM 2027 N LYS A 130 14.136 1.086 -7.343 1.00 0.00 N ATOM 2028 CA LYS A 130 14.460 0.438 -6.079 1.00 0.00 C ATOM 2029 C LYS A 130 15.771 0.987 -5.514 1.00 0.00 C ATOM 2030 O LYS A 130 16.809 0.908 -6.167 1.00 0.00 O ATOM 2031 CB LYS A 130 14.450 -1.088 -6.282 1.00 0.00 C ATOM 2032 CG LYS A 130 14.074 -1.870 -5.013 1.00 0.00 C ATOM 2033 CD LYS A 130 15.278 -2.583 -4.390 1.00 0.00 C ATOM 2034 CE LYS A 130 14.799 -3.335 -3.142 1.00 0.00 C ATOM 2035 NZ LYS A 130 15.870 -4.133 -2.518 1.00 0.00 N ATOM 0 H LYS A 130 14.662 0.721 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 130 13.707 0.663 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.745 -1.337 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 130 15.436 -1.409 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 130 13.642 -1.186 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.306 -2.604 -5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 130 15.720 -3.277 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 130 16.051 -1.862 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 130 14.414 -2.619 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.972 -3.991 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.603 -4.369 -1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 16.011 -5.009 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 16.753 -3.584 -2.512 1.00 0.00 H new ATOM 2049 N GLN A 131 15.721 1.545 -4.300 1.00 0.00 N ATOM 2050 CA GLN A 131 16.814 2.265 -3.659 1.00 0.00 C ATOM 2051 C GLN A 131 17.078 1.661 -2.275 1.00 0.00 C ATOM 2052 O GLN A 131 16.975 2.331 -1.251 1.00 0.00 O ATOM 2053 CB GLN A 131 16.487 3.772 -3.605 1.00 0.00 C ATOM 2054 CG GLN A 131 17.158 4.570 -4.732 1.00 0.00 C ATOM 2055 CD GLN A 131 16.542 4.382 -6.115 1.00 0.00 C ATOM 2056 OE1 GLN A 131 15.385 4.001 -6.255 1.00 0.00 O ATOM 2057 NE2 GLN A 131 17.297 4.744 -7.145 1.00 0.00 N ATOM 0 H GLN A 131 14.884 1.503 -3.719 1.00 0.00 H new ATOM 0 HA GLN A 131 17.732 2.162 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.407 3.907 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 131 16.806 4.173 -2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 131 17.123 5.629 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 131 18.210 4.288 -4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 131 18.256 5.056 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 131 16.918 4.710 -8.092 1.00 0.00 H new ATOM 2066 N ALA A 132 17.456 0.382 -2.251 1.00 0.00 N ATOM 2067 CA ALA A 132 17.980 -0.285 -1.064 1.00 0.00 C ATOM 2068 C ALA A 132 18.600 -1.616 -1.472 1.00 0.00 C ATOM 2069 O ALA A 132 17.924 -2.430 -2.100 1.00 0.00 O ATOM 2070 CB ALA A 132 16.876 -0.501 -0.025 1.00 0.00 C ATOM 2071 OXT ALA A 132 19.908 -1.906 -1.141 1.00 0.00 O ATOM 0 H ALA A 132 17.405 -0.226 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 132 18.743 0.346 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 132 17.292 -1.000 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 132 16.460 0.463 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 132 16.088 -1.120 -0.455 1.00 0.00 H new