USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 249 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 47 THR OG1 : rot -43:sc= 0.291 USER MOD Set 1.2: A 51 SER OG : rot -48:sc= -0.472 USER MOD Set 2.1: A 5 GLN : amide:sc= -0.036 K(o=-0.057,f=-2.4!) USER MOD Set 2.2: A 37 ASN : amide:sc= -0.069 X(o=-0.057,f=-0.2) USER MOD Set 2.3: A 39 SER OG : rot 61:sc= 0.0476 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 TYR OH : rot 158:sc= 0.268 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 168:sc= -0.103 (180deg=-0.384) USER MOD Single : A 10 SER OG : rot 146:sc= 0.374 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc=-0.00597 (180deg=-0.114) USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= -0.0254 (180deg=-0.21) USER MOD Single : A 17 ASN : amide:sc= -2.65! C(o=-2.7!,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0728) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 32 HIS : no HE2:sc= 0.0839 K(o=0.084,f=-6.1!) USER MOD Single : A 34 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.8!) USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= -0.743 (180deg=-1.73) USER MOD Single : A 46 SER OG : rot 180:sc= -0.102 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 170:sc= 1.04 USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= 0.918 (180deg=-0.317) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.526 USER MOD Single : A 59 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 62 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 0.519 (180deg=-0.49) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0509 F(o=-2.8!,f=-0.051) USER MOD Single : A 66 THR OG1 : rot 174:sc= 1.81 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.436 K(o=0.44,f=-3.5!) USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= -1.48 (180deg=-2.93!) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0222 F(o=-0.72,f=-0.022) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -66:sc= -0.368 USER MOD Single : A 83 ASN : amide:sc= -3.07! C(o=-3.1!,f=-5.4!) USER MOD Single : A 85 ASN :FLIP amide:sc=-0.00255 F(o=-1.6!,f=-0.0025) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 84:sc= 0.303 USER MOD Single : A 92 MET CE :methyl -168:sc= 0 (180deg=-0.188) USER MOD Single : A 93 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.5) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -169:sc= 0 (180deg=-0.232) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.754 -17.293 -1.392 1.00 0.00 N ATOM 2 CA GLY A 1 -1.969 -16.133 -1.876 1.00 0.00 C ATOM 3 C GLY A 1 -1.690 -16.118 -3.394 1.00 0.00 C ATOM 4 O GLY A 1 -0.725 -16.709 -3.871 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.890 -17.215 -0.364 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.681 -17.306 -1.864 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.243 -18.173 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.500 -15.219 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.016 -16.113 -1.347 1.00 0.00 H new ATOM 8 N SER A 2 -2.610 -15.484 -4.118 1.00 0.00 N ATOM 9 CA SER A 2 -2.528 -15.322 -5.587 1.00 0.00 C ATOM 10 C SER A 2 -2.861 -13.874 -6.006 1.00 0.00 C ATOM 11 O SER A 2 -3.820 -13.597 -6.725 1.00 0.00 O ATOM 12 CB SER A 2 -3.462 -16.348 -6.246 1.00 0.00 C ATOM 13 OG SER A 2 -3.204 -16.434 -7.649 1.00 0.00 O ATOM 0 H SER A 2 -3.443 -15.062 -3.709 1.00 0.00 H new ATOM 0 HA SER A 2 -1.509 -15.508 -5.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.321 -17.325 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.501 -16.063 -6.078 1.00 0.00 H new ATOM 0 HG SER A 2 -3.807 -17.093 -8.053 1.00 0.00 H new ATOM 16 N MET A 3 -2.081 -12.934 -5.473 1.00 0.00 N ATOM 17 CA MET A 3 -2.285 -11.491 -5.729 1.00 0.00 C ATOM 18 C MET A 3 -1.070 -10.900 -6.473 1.00 0.00 C ATOM 19 O MET A 3 -0.247 -10.147 -5.947 1.00 0.00 O ATOM 20 CB MET A 3 -2.578 -10.759 -4.412 1.00 0.00 C ATOM 21 CG MET A 3 -3.073 -9.329 -4.661 1.00 0.00 C ATOM 22 SD MET A 3 -3.045 -8.260 -3.174 1.00 0.00 S ATOM 23 CE MET A 3 -1.289 -8.078 -2.941 1.00 0.00 C ATOM 0 H MET A 3 -1.295 -13.138 -4.856 1.00 0.00 H new ATOM 0 HA MET A 3 -3.152 -11.355 -6.376 1.00 0.00 H new ATOM 0 HB2 MET A 3 -3.329 -11.312 -3.847 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.676 -10.731 -3.801 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.457 -8.872 -5.436 1.00 0.00 H new ATOM 0 HG3 MET A 3 -4.092 -9.370 -5.047 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.098 -7.290 -2.213 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.871 -9.017 -2.578 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.821 -7.816 -3.890 1.00 0.00 H new ATOM 25 N GLU A 4 -0.916 -11.412 -7.685 1.00 0.00 N ATOM 26 CA GLU A 4 0.175 -11.067 -8.615 1.00 0.00 C ATOM 27 C GLU A 4 -0.414 -10.772 -9.999 1.00 0.00 C ATOM 28 O GLU A 4 -1.539 -11.176 -10.287 1.00 0.00 O ATOM 29 CB GLU A 4 1.191 -12.214 -8.687 1.00 0.00 C ATOM 30 CG GLU A 4 2.297 -12.123 -7.623 1.00 0.00 C ATOM 31 CD GLU A 4 1.844 -12.233 -6.160 1.00 0.00 C ATOM 32 OE1 GLU A 4 0.981 -13.092 -5.862 1.00 0.00 O ATOM 33 OE2 GLU A 4 2.417 -11.480 -5.345 1.00 0.00 O ATOM 0 H GLU A 4 -1.561 -12.101 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 4 0.695 -10.179 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.665 -13.162 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.649 -12.221 -9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.024 -12.912 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.817 -11.173 -7.750 1.00 0.00 H new ATOM 35 N GLN A 5 0.333 -10.008 -10.798 1.00 0.00 N ATOM 36 CA GLN A 5 -0.090 -9.561 -12.146 1.00 0.00 C ATOM 37 C GLN A 5 -1.357 -8.671 -12.158 1.00 0.00 C ATOM 38 O GLN A 5 -2.109 -8.664 -13.131 1.00 0.00 O ATOM 39 CB GLN A 5 -0.243 -10.758 -13.106 1.00 0.00 C ATOM 40 CG GLN A 5 1.060 -11.232 -13.764 1.00 0.00 C ATOM 41 CD GLN A 5 1.265 -10.671 -15.181 1.00 0.00 C ATOM 42 OE1 GLN A 5 0.353 -10.461 -15.971 1.00 0.00 O ATOM 43 NE2 GLN A 5 2.509 -10.592 -15.599 1.00 0.00 N ATOM 0 H GLN A 5 1.260 -9.674 -10.534 1.00 0.00 H new ATOM 0 HA GLN A 5 0.716 -8.919 -12.502 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.679 -11.592 -12.556 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.951 -10.488 -13.890 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.903 -10.937 -13.139 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.061 -12.321 -13.808 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.277 -10.765 -14.950 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.706 -10.358 -16.572 1.00 0.00 H new ATOM 47 N PHE A 6 -1.541 -7.911 -11.071 1.00 0.00 N ATOM 48 CA PHE A 6 -2.539 -6.827 -10.901 1.00 0.00 C ATOM 49 C PHE A 6 -2.642 -6.427 -9.421 1.00 0.00 C ATOM 50 O PHE A 6 -3.091 -7.213 -8.586 1.00 0.00 O ATOM 51 CB PHE A 6 -3.951 -7.197 -11.386 1.00 0.00 C ATOM 52 CG PHE A 6 -4.633 -6.100 -12.213 1.00 0.00 C ATOM 53 CD1 PHE A 6 -3.931 -5.336 -13.145 1.00 0.00 C ATOM 54 CD2 PHE A 6 -6.008 -5.940 -12.094 1.00 0.00 C ATOM 55 CE1 PHE A 6 -4.602 -4.419 -13.944 1.00 0.00 C ATOM 56 CE2 PHE A 6 -6.682 -5.029 -12.897 1.00 0.00 C ATOM 57 CZ PHE A 6 -5.979 -4.265 -13.822 1.00 0.00 C ATOM 0 H PHE A 6 -0.970 -8.036 -10.235 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.178 -6.004 -11.518 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.892 -8.106 -11.985 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.573 -7.425 -10.521 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.863 -5.458 -13.246 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.556 -6.528 -11.373 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.054 -3.825 -14.661 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.752 -4.914 -12.803 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.501 -3.553 -14.444 1.00 0.00 H new ATOM 64 N GLU A 7 -2.005 -5.313 -9.074 1.00 0.00 N ATOM 65 CA GLU A 7 -2.103 -4.775 -7.701 1.00 0.00 C ATOM 66 C GLU A 7 -2.678 -3.351 -7.665 1.00 0.00 C ATOM 67 O GLU A 7 -1.987 -2.387 -7.981 1.00 0.00 O ATOM 68 CB GLU A 7 -0.769 -4.875 -6.949 1.00 0.00 C ATOM 69 CG GLU A 7 -0.439 -6.307 -6.504 1.00 0.00 C ATOM 70 CD GLU A 7 0.466 -7.061 -7.485 1.00 0.00 C ATOM 71 OE1 GLU A 7 -0.065 -7.700 -8.424 1.00 0.00 O ATOM 72 OE2 GLU A 7 1.697 -6.981 -7.280 1.00 0.00 O ATOM 0 H GLU A 7 -1.421 -4.765 -9.706 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.816 -5.408 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.032 -4.505 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.802 -4.226 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.046 -6.273 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.368 -6.863 -6.379 1.00 0.00 H new ATOM 74 N LEU A 8 -3.982 -3.290 -7.409 1.00 0.00 N ATOM 75 CA LEU A 8 -4.740 -2.026 -7.277 1.00 0.00 C ATOM 76 C LEU A 8 -5.138 -1.756 -5.818 1.00 0.00 C ATOM 77 O LEU A 8 -5.754 -2.595 -5.159 1.00 0.00 O ATOM 78 CB LEU A 8 -6.014 -2.033 -8.133 1.00 0.00 C ATOM 79 CG LEU A 8 -5.810 -1.604 -9.591 1.00 0.00 C ATOM 80 CD1 LEU A 8 -5.140 -2.689 -10.438 1.00 0.00 C ATOM 81 CD2 LEU A 8 -7.154 -1.192 -10.194 1.00 0.00 C ATOM 0 H LEU A 8 -4.559 -4.122 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.074 -1.237 -7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.438 -3.037 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.748 -1.371 -7.673 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.130 -0.752 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.021 -2.331 -11.460 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.161 -2.925 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.760 -3.585 -10.438 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.010 -0.887 -11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.843 -2.035 -10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.568 -0.360 -9.625 1.00 0.00 H new ATOM 83 N PHE A 9 -4.674 -0.616 -5.322 1.00 0.00 N ATOM 84 CA PHE A 9 -4.934 -0.190 -3.929 1.00 0.00 C ATOM 85 C PHE A 9 -5.479 1.247 -3.832 1.00 0.00 C ATOM 86 O PHE A 9 -4.918 2.168 -4.415 1.00 0.00 O ATOM 87 CB PHE A 9 -3.645 -0.344 -3.113 1.00 0.00 C ATOM 88 CG PHE A 9 -3.109 -1.783 -3.134 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.696 -2.763 -2.341 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.948 -2.071 -3.840 1.00 0.00 C ATOM 91 CE1 PHE A 9 -3.089 -4.004 -2.195 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.353 -3.320 -3.706 1.00 0.00 C ATOM 93 CZ PHE A 9 -1.909 -4.279 -2.871 1.00 0.00 C ATOM 0 H PHE A 9 -4.110 0.043 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.715 -0.832 -3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.885 0.330 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.832 -0.044 -2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.628 -2.558 -1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.510 -1.328 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.534 -4.753 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.451 -3.546 -4.256 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.425 -5.236 -2.748 1.00 0.00 H new ATOM 100 N SER A 10 -6.512 1.422 -3.008 1.00 0.00 N ATOM 101 CA SER A 10 -7.218 2.722 -2.866 1.00 0.00 C ATOM 102 C SER A 10 -7.244 3.221 -1.413 1.00 0.00 C ATOM 103 O SER A 10 -7.824 2.561 -0.549 1.00 0.00 O ATOM 104 CB SER A 10 -8.685 2.607 -3.310 1.00 0.00 C ATOM 105 OG SER A 10 -8.829 1.857 -4.519 1.00 0.00 O ATOM 0 H SER A 10 -6.891 0.681 -2.419 1.00 0.00 H new ATOM 0 HA SER A 10 -6.663 3.420 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.265 2.132 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.098 3.605 -3.453 1.00 0.00 H new ATOM 0 HG SER A 10 -9.669 1.353 -4.493 1.00 0.00 H new ATOM 108 N ILE A 11 -6.675 4.401 -1.172 1.00 0.00 N ATOM 109 CA ILE A 11 -6.698 5.039 0.169 1.00 0.00 C ATOM 110 C ILE A 11 -8.078 5.641 0.511 1.00 0.00 C ATOM 111 O ILE A 11 -8.777 6.165 -0.355 1.00 0.00 O ATOM 112 CB ILE A 11 -5.560 6.075 0.336 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.168 6.294 1.803 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.831 7.441 -0.306 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.306 5.158 2.357 1.00 0.00 C ATOM 0 H ILE A 11 -6.187 4.947 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.517 4.244 0.893 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.733 5.616 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.625 7.235 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.071 6.388 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.978 8.098 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.985 7.315 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.723 7.882 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.058 5.364 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.857 4.220 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.389 5.080 1.774 1.00 0.00 H new ATOM 117 N ASP A 12 -8.361 5.666 1.811 1.00 0.00 N ATOM 118 CA ASP A 12 -9.505 6.417 2.379 1.00 0.00 C ATOM 119 C ASP A 12 -9.570 7.930 2.091 1.00 0.00 C ATOM 120 O ASP A 12 -10.658 8.496 2.088 1.00 0.00 O ATOM 121 CB ASP A 12 -9.657 6.167 3.887 1.00 0.00 C ATOM 122 CG ASP A 12 -8.367 6.395 4.677 1.00 0.00 C ATOM 123 OD1 ASP A 12 -8.112 7.568 5.034 1.00 0.00 O ATOM 124 OD2 ASP A 12 -7.612 5.405 4.805 1.00 0.00 O ATOM 0 H ASP A 12 -7.810 5.169 2.511 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.349 6.000 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.434 6.823 4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.994 5.143 4.045 1.00 0.00 H new ATOM 126 N LYS A 13 -8.405 8.570 1.939 1.00 0.00 N ATOM 127 CA LYS A 13 -8.260 10.041 1.781 1.00 0.00 C ATOM 128 C LYS A 13 -8.993 10.832 2.891 1.00 0.00 C ATOM 129 O LYS A 13 -9.535 11.916 2.678 1.00 0.00 O ATOM 130 CB LYS A 13 -8.738 10.448 0.378 1.00 0.00 C ATOM 131 CG LYS A 13 -7.769 11.359 -0.383 1.00 0.00 C ATOM 132 CD LYS A 13 -7.654 12.763 0.218 1.00 0.00 C ATOM 133 CE LYS A 13 -6.685 13.656 -0.563 1.00 0.00 C ATOM 134 NZ LYS A 13 -5.312 13.126 -0.554 1.00 0.00 N ATOM 0 H LYS A 13 -7.511 8.079 1.921 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.206 10.296 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.907 9.546 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.699 10.955 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.782 10.896 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.097 11.441 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.639 13.229 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.319 12.686 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.030 13.750 -1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.689 14.657 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.665 13.832 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.027 12.916 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.273 12.255 -1.120 1.00 0.00 H new ATOM 139 N PHE A 14 -8.935 10.271 4.096 1.00 0.00 N ATOM 140 CA PHE A 14 -9.719 10.747 5.245 1.00 0.00 C ATOM 141 C PHE A 14 -8.812 11.040 6.458 1.00 0.00 C ATOM 142 O PHE A 14 -8.202 12.103 6.535 1.00 0.00 O ATOM 143 CB PHE A 14 -10.792 9.687 5.539 1.00 0.00 C ATOM 144 CG PHE A 14 -12.158 10.296 5.853 1.00 0.00 C ATOM 145 CD1 PHE A 14 -12.346 11.114 6.961 1.00 0.00 C ATOM 146 CD2 PHE A 14 -13.214 10.036 4.989 1.00 0.00 C ATOM 147 CE1 PHE A 14 -13.594 11.679 7.197 1.00 0.00 C ATOM 148 CE2 PHE A 14 -14.463 10.595 5.231 1.00 0.00 C ATOM 149 CZ PHE A 14 -14.651 11.419 6.334 1.00 0.00 C ATOM 0 H PHE A 14 -8.342 9.469 4.310 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.206 11.696 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.885 9.023 4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.470 9.075 6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.526 11.310 7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.064 9.400 4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.742 12.321 8.053 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.286 10.389 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.620 11.858 6.521 1.00 0.00 H new ATOM 156 N LYS A 15 -8.574 10.018 7.275 1.00 0.00 N ATOM 157 CA LYS A 15 -7.813 10.137 8.530 1.00 0.00 C ATOM 158 C LYS A 15 -6.575 9.234 8.429 1.00 0.00 C ATOM 159 O LYS A 15 -6.701 8.010 8.414 1.00 0.00 O ATOM 160 CB LYS A 15 -8.735 9.686 9.669 1.00 0.00 C ATOM 161 CG LYS A 15 -8.510 10.405 11.004 1.00 0.00 C ATOM 162 CD LYS A 15 -7.104 10.228 11.587 1.00 0.00 C ATOM 163 CE LYS A 15 -7.148 10.148 13.114 1.00 0.00 C ATOM 164 NZ LYS A 15 -7.717 8.860 13.538 1.00 0.00 N ATOM 0 H LYS A 15 -8.904 9.071 7.089 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.482 11.159 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.770 9.837 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.602 8.615 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.702 11.469 10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.239 10.040 11.727 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.652 9.321 11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.472 11.062 11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.143 10.262 13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.747 10.967 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.400 8.642 14.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.755 8.916 13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.399 8.110 12.892 1.00 0.00 H new ATOM 169 N CYS A 16 -5.445 9.875 8.131 1.00 0.00 N ATOM 170 CA CYS A 16 -4.144 9.196 7.966 1.00 0.00 C ATOM 171 C CYS A 16 -2.976 10.198 7.954 1.00 0.00 C ATOM 172 O CYS A 16 -2.911 11.080 7.100 1.00 0.00 O ATOM 173 CB CYS A 16 -4.173 8.393 6.661 1.00 0.00 C ATOM 174 SG CYS A 16 -3.398 6.747 6.821 1.00 0.00 S ATOM 0 H CYS A 16 -5.398 10.885 7.995 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.984 8.530 8.814 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.207 8.272 6.338 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.659 8.957 5.882 1.00 0.00 H new ATOM 176 N ASN A 17 -2.244 10.192 9.066 1.00 0.00 N ATOM 177 CA ASN A 17 -1.051 11.044 9.281 1.00 0.00 C ATOM 178 C ASN A 17 0.255 10.276 8.963 1.00 0.00 C ATOM 179 O ASN A 17 0.209 9.102 8.592 1.00 0.00 O ATOM 180 CB ASN A 17 -1.100 11.551 10.735 1.00 0.00 C ATOM 181 CG ASN A 17 -0.045 12.621 11.037 1.00 0.00 C ATOM 182 OD1 ASN A 17 0.229 13.518 10.255 1.00 0.00 O ATOM 183 ND2 ASN A 17 0.743 12.409 12.066 1.00 0.00 N ATOM 0 H ASN A 17 -2.457 9.590 9.862 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.059 11.895 8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.090 11.959 10.938 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.958 10.708 11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.570 12.990 12.203 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.528 11.664 12.728 1.00 0.00 H new ATOM 187 N SER A 18 1.409 10.914 9.208 1.00 0.00 N ATOM 188 CA SER A 18 2.778 10.425 8.896 1.00 0.00 C ATOM 189 C SER A 18 2.960 10.313 7.374 1.00 0.00 C ATOM 190 O SER A 18 3.572 11.171 6.743 1.00 0.00 O ATOM 191 CB SER A 18 3.134 9.107 9.612 1.00 0.00 C ATOM 192 OG SER A 18 4.421 8.625 9.204 1.00 0.00 O ATOM 0 H SER A 18 1.423 11.832 9.651 1.00 0.00 H new ATOM 0 HA SER A 18 3.481 11.162 9.285 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.127 9.263 10.691 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.376 8.355 9.393 1.00 0.00 H new ATOM 0 HG SER A 18 4.622 7.789 9.675 1.00 0.00 H new ATOM 195 N GLU A 19 2.274 9.323 6.815 1.00 0.00 N ATOM 196 CA GLU A 19 2.060 9.126 5.375 1.00 0.00 C ATOM 197 C GLU A 19 1.202 10.279 4.824 1.00 0.00 C ATOM 198 O GLU A 19 0.190 10.645 5.413 1.00 0.00 O ATOM 199 CB GLU A 19 1.401 7.745 5.259 1.00 0.00 C ATOM 200 CG GLU A 19 0.434 7.529 4.094 1.00 0.00 C ATOM 201 CD GLU A 19 -1.026 7.427 4.522 1.00 0.00 C ATOM 202 OE1 GLU A 19 -1.601 8.484 4.846 1.00 0.00 O ATOM 203 OE2 GLU A 19 -1.556 6.297 4.425 1.00 0.00 O ATOM 0 H GLU A 19 1.828 8.597 7.376 1.00 0.00 H new ATOM 0 HA GLU A 19 2.974 9.144 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.192 6.998 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.863 7.548 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.540 8.352 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.713 6.618 3.565 1.00 0.00 H new ATOM 205 N ALA A 20 1.711 10.848 3.733 1.00 0.00 N ATOM 206 CA ALA A 20 1.069 11.899 2.911 1.00 0.00 C ATOM 207 C ALA A 20 1.941 12.184 1.673 1.00 0.00 C ATOM 208 O ALA A 20 1.977 11.335 0.785 1.00 0.00 O ATOM 209 CB ALA A 20 0.749 13.172 3.719 1.00 0.00 C ATOM 0 H ALA A 20 2.627 10.583 3.372 1.00 0.00 H new ATOM 0 HA ALA A 20 0.100 11.531 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.280 13.909 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.069 12.924 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.671 13.585 4.128 1.00 0.00 H new ATOM 211 N LYS A 21 2.871 13.139 1.793 1.00 0.00 N ATOM 212 CA LYS A 21 3.791 13.580 0.725 1.00 0.00 C ATOM 213 C LYS A 21 4.582 12.436 0.070 1.00 0.00 C ATOM 214 O LYS A 21 4.134 11.894 -0.938 1.00 0.00 O ATOM 215 CB LYS A 21 4.698 14.670 1.307 1.00 0.00 C ATOM 216 CG LYS A 21 4.423 16.029 0.662 1.00 0.00 C ATOM 217 CD LYS A 21 4.440 17.151 1.705 1.00 0.00 C ATOM 218 CE LYS A 21 3.054 17.387 2.318 1.00 0.00 C ATOM 219 NZ LYS A 21 2.172 18.085 1.368 1.00 0.00 N ATOM 0 H LYS A 21 3.013 13.647 2.666 1.00 0.00 H new ATOM 0 HA LYS A 21 3.203 13.984 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.542 14.738 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.742 14.397 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.172 16.229 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.454 16.008 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.148 16.901 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.793 18.072 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.609 16.433 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.151 17.975 3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.327 18.428 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.680 18.891 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.886 17.429 0.614 1.00 0.00 H new ATOM 224 N TYR A 22 5.627 11.951 0.745 1.00 0.00 N ATOM 225 CA TYR A 22 6.453 10.812 0.290 1.00 0.00 C ATOM 226 C TYR A 22 5.661 9.540 -0.083 1.00 0.00 C ATOM 227 O TYR A 22 5.958 8.901 -1.090 1.00 0.00 O ATOM 228 CB TYR A 22 7.535 10.525 1.344 1.00 0.00 C ATOM 229 CG TYR A 22 7.026 9.847 2.622 1.00 0.00 C ATOM 230 CD1 TYR A 22 6.043 10.420 3.420 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.431 8.546 2.868 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.450 9.679 4.429 1.00 0.00 C ATOM 233 CE2 TYR A 22 6.830 7.801 3.871 1.00 0.00 C ATOM 234 CZ TYR A 22 5.836 8.366 4.660 1.00 0.00 C ATOM 235 OH TYR A 22 5.197 7.646 5.617 1.00 0.00 O ATOM 0 H TYR A 22 5.934 12.339 1.637 1.00 0.00 H new ATOM 0 HA TYR A 22 6.913 11.113 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.301 9.893 0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.016 11.465 1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.741 11.444 3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.220 8.109 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.681 10.127 5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.135 6.779 4.039 1.00 0.00 H new ATOM 0 HH TYR A 22 5.311 6.689 5.437 1.00 0.00 H new ATOM 242 N TYR A 23 4.540 9.308 0.607 1.00 0.00 N ATOM 243 CA TYR A 23 3.602 8.219 0.272 1.00 0.00 C ATOM 244 C TYR A 23 3.050 8.420 -1.142 1.00 0.00 C ATOM 245 O TYR A 23 3.530 7.771 -2.068 1.00 0.00 O ATOM 246 CB TYR A 23 2.477 8.121 1.310 1.00 0.00 C ATOM 247 CG TYR A 23 1.615 6.856 1.165 1.00 0.00 C ATOM 248 CD1 TYR A 23 1.971 5.699 1.850 1.00 0.00 C ATOM 249 CD2 TYR A 23 0.395 6.900 0.503 1.00 0.00 C ATOM 250 CE1 TYR A 23 1.154 4.578 1.840 1.00 0.00 C ATOM 251 CE2 TYR A 23 -0.452 5.799 0.543 1.00 0.00 C ATOM 252 CZ TYR A 23 -0.068 4.631 1.186 1.00 0.00 C ATOM 253 OH TYR A 23 -0.898 3.558 1.190 1.00 0.00 O ATOM 0 H TYR A 23 4.253 9.865 1.412 1.00 0.00 H new ATOM 0 HA TYR A 23 4.141 7.272 0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.913 8.141 2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.837 8.999 1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.900 5.673 2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.105 7.787 -0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.467 3.672 2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.420 5.853 0.068 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.710 3.771 0.685 1.00 0.00 H new ATOM 260 N LEU A 24 2.290 9.498 -1.343 1.00 0.00 N ATOM 261 CA LEU A 24 1.700 9.841 -2.650 1.00 0.00 C ATOM 262 C LEU A 24 2.767 10.000 -3.744 1.00 0.00 C ATOM 263 O LEU A 24 2.807 9.183 -4.661 1.00 0.00 O ATOM 264 CB LEU A 24 0.853 11.119 -2.534 1.00 0.00 C ATOM 265 CG LEU A 24 -0.315 10.996 -1.547 1.00 0.00 C ATOM 266 CD1 LEU A 24 -0.946 12.372 -1.333 1.00 0.00 C ATOM 267 CD2 LEU A 24 -1.383 10.014 -2.037 1.00 0.00 C ATOM 0 H LEU A 24 2.062 10.164 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 24 1.057 9.011 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.495 11.943 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.460 11.375 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 24 0.083 10.610 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.776 12.287 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.199 13.056 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.313 12.756 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.190 9.960 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.781 10.356 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.939 9.026 -2.162 1.00 0.00 H new ATOM 269 N ASN A 25 3.805 10.781 -3.453 1.00 0.00 N ATOM 270 CA ASN A 25 4.929 11.039 -4.372 1.00 0.00 C ATOM 271 C ASN A 25 5.708 9.801 -4.853 1.00 0.00 C ATOM 272 O ASN A 25 6.390 9.878 -5.876 1.00 0.00 O ATOM 273 CB ASN A 25 5.891 12.063 -3.749 1.00 0.00 C ATOM 274 CG ASN A 25 5.277 13.463 -3.635 1.00 0.00 C ATOM 275 OD1 ASN A 25 4.212 13.696 -3.079 1.00 0.00 O ATOM 276 ND2 ASN A 25 6.008 14.456 -4.093 1.00 0.00 N ATOM 0 H ASN A 25 3.897 11.264 -2.559 1.00 0.00 H new ATOM 0 HA ASN A 25 4.463 11.433 -5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.188 11.720 -2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.797 12.117 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.687 15.418 -3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.896 14.264 -4.557 1.00 0.00 H new ATOM 280 N ILE A 26 5.692 8.716 -4.072 1.00 0.00 N ATOM 281 CA ILE A 26 6.353 7.450 -4.453 1.00 0.00 C ATOM 282 C ILE A 26 5.390 6.255 -4.713 1.00 0.00 C ATOM 283 O ILE A 26 5.788 5.286 -5.360 1.00 0.00 O ATOM 284 CB ILE A 26 7.561 7.218 -3.497 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.617 8.321 -3.669 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.330 5.916 -3.730 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.643 9.360 -2.548 1.00 0.00 C ATOM 0 H ILE A 26 5.227 8.683 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 26 6.767 7.536 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 26 7.096 7.200 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.600 7.856 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.439 8.832 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.151 5.846 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.659 5.068 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.729 5.906 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.418 10.098 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.675 9.857 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.855 8.867 -1.599 1.00 0.00 H new ATOM 289 N ILE A 27 4.121 6.313 -4.282 1.00 0.00 N ATOM 290 CA ILE A 27 3.112 5.253 -4.558 1.00 0.00 C ATOM 291 C ILE A 27 1.912 5.623 -5.465 1.00 0.00 C ATOM 292 O ILE A 27 1.232 4.729 -5.974 1.00 0.00 O ATOM 293 CB ILE A 27 2.659 4.553 -3.252 1.00 0.00 C ATOM 294 CG1 ILE A 27 2.139 3.136 -3.557 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.660 5.393 -2.437 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.854 2.251 -2.338 1.00 0.00 C ATOM 0 H ILE A 27 3.756 7.091 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 27 3.662 4.549 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 27 3.533 4.455 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.222 3.224 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.870 2.629 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.380 4.850 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.121 6.341 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.770 5.583 -3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.493 1.278 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.770 2.121 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.096 2.724 -1.714 1.00 0.00 H new ATOM 298 N GLU A 28 1.564 6.909 -5.560 1.00 0.00 N ATOM 299 CA GLU A 28 0.436 7.405 -6.380 1.00 0.00 C ATOM 300 C GLU A 28 0.717 7.149 -7.865 1.00 0.00 C ATOM 301 O GLU A 28 1.437 7.892 -8.536 1.00 0.00 O ATOM 302 CB GLU A 28 0.228 8.901 -6.103 1.00 0.00 C ATOM 303 CG GLU A 28 -0.955 9.539 -6.833 1.00 0.00 C ATOM 304 CD GLU A 28 -0.755 11.056 -6.890 1.00 0.00 C ATOM 305 OE1 GLU A 28 -1.089 11.714 -5.879 1.00 0.00 O ATOM 306 OE2 GLU A 28 -0.296 11.527 -7.952 1.00 0.00 O ATOM 0 H GLU A 28 2.059 7.651 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.478 6.872 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.091 9.040 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.137 9.435 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.037 9.133 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.886 9.302 -6.318 1.00 0.00 H new ATOM 308 N GLY A 29 0.129 6.042 -8.335 1.00 0.00 N ATOM 309 CA GLY A 29 0.409 5.477 -9.662 1.00 0.00 C ATOM 310 C GLY A 29 0.994 4.071 -9.522 1.00 0.00 C ATOM 311 O GLY A 29 0.736 3.380 -8.533 1.00 0.00 O ATOM 0 H GLY A 29 -0.559 5.509 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.507 5.441 -10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.108 6.118 -10.199 1.00 0.00 H new ATOM 313 N GLU A 30 1.859 3.704 -10.472 1.00 0.00 N ATOM 314 CA GLU A 30 2.367 2.331 -10.604 1.00 0.00 C ATOM 315 C GLU A 30 3.884 2.135 -10.607 1.00 0.00 C ATOM 316 O GLU A 30 4.629 2.752 -11.370 1.00 0.00 O ATOM 317 CB GLU A 30 1.744 1.560 -11.788 1.00 0.00 C ATOM 318 CG GLU A 30 1.543 2.342 -13.090 1.00 0.00 C ATOM 319 CD GLU A 30 0.104 2.863 -13.191 1.00 0.00 C ATOM 320 OE1 GLU A 30 -0.144 3.982 -12.687 1.00 0.00 O ATOM 321 OE2 GLU A 30 -0.725 2.121 -13.757 1.00 0.00 O ATOM 0 H GLU A 30 2.228 4.348 -11.172 1.00 0.00 H new ATOM 0 HA GLU A 30 2.029 1.904 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.376 0.698 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.776 1.174 -11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.242 3.178 -13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.764 1.701 -13.943 1.00 0.00 H new ATOM 323 N TRP A 31 4.284 1.192 -9.752 1.00 0.00 N ATOM 324 CA TRP A 31 5.644 0.650 -9.632 1.00 0.00 C ATOM 325 C TRP A 31 5.980 -0.283 -10.799 1.00 0.00 C ATOM 326 O TRP A 31 5.443 -1.391 -10.883 1.00 0.00 O ATOM 327 CB TRP A 31 5.766 -0.125 -8.314 1.00 0.00 C ATOM 328 CG TRP A 31 5.770 0.798 -7.098 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.756 1.541 -6.652 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.896 1.157 -6.382 1.00 0.00 C ATOM 331 NE1 TRP A 31 5.195 2.371 -5.711 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.495 2.156 -5.517 1.00 0.00 C ATOM 333 CE3 TRP A 31 8.210 0.695 -6.363 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.408 2.713 -4.646 1.00 0.00 C ATOM 335 CZ3 TRP A 31 9.119 1.243 -5.466 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.725 2.274 -4.625 1.00 0.00 C ATOM 0 H TRP A 31 3.638 0.762 -9.090 1.00 0.00 H new ATOM 0 HA TRP A 31 6.345 1.484 -9.649 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.938 -0.829 -8.231 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.684 -0.713 -8.324 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.736 1.478 -7.001 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.628 3.061 -5.218 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.521 -0.085 -7.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.095 3.498 -3.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.131 0.867 -5.424 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.439 2.733 -3.957 1.00 0.00 H new ATOM 344 N HIS A 32 6.991 0.142 -11.565 1.00 0.00 N ATOM 345 CA HIS A 32 7.473 -0.469 -12.823 1.00 0.00 C ATOM 346 C HIS A 32 6.601 -0.148 -14.051 1.00 0.00 C ATOM 347 O HIS A 32 5.386 0.021 -13.915 1.00 0.00 O ATOM 348 CB HIS A 32 7.657 -1.999 -12.748 1.00 0.00 C ATOM 349 CG HIS A 32 8.869 -2.426 -11.920 1.00 0.00 C ATOM 350 ND1 HIS A 32 8.857 -3.338 -10.959 1.00 0.00 N ATOM 351 CD2 HIS A 32 10.137 -2.131 -12.191 1.00 0.00 C ATOM 352 CE1 HIS A 32 10.120 -3.607 -10.637 1.00 0.00 C ATOM 353 NE2 HIS A 32 10.917 -2.861 -11.401 1.00 0.00 N ATOM 0 H HIS A 32 7.531 0.970 -11.314 1.00 0.00 H new ATOM 0 HA HIS A 32 8.449 -0.001 -12.951 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.759 -2.445 -12.320 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.759 -2.395 -13.758 1.00 0.00 H new ATOM 0 HD1 HIS A 32 8.028 -3.759 -10.540 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.476 -1.418 -12.929 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.444 -4.310 -9.884 1.00 0.00 H new ATOM 356 N PRO A 33 7.219 -0.025 -15.245 1.00 0.00 N ATOM 357 CA PRO A 33 6.489 0.125 -16.516 1.00 0.00 C ATOM 358 C PRO A 33 5.732 -1.159 -16.898 1.00 0.00 C ATOM 359 O PRO A 33 5.799 -2.168 -16.195 1.00 0.00 O ATOM 360 CB PRO A 33 7.572 0.519 -17.530 1.00 0.00 C ATOM 361 CG PRO A 33 8.828 -0.160 -16.990 1.00 0.00 C ATOM 362 CD PRO A 33 8.679 0.015 -15.479 1.00 0.00 C ATOM 0 HA PRO A 33 5.703 0.878 -16.465 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.328 0.172 -18.534 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.694 1.601 -17.588 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.874 -1.211 -17.274 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.737 0.311 -17.365 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.190 -0.779 -14.935 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.109 0.959 -15.144 1.00 0.00 H new ATOM 363 N GLN A 34 5.285 -1.212 -18.152 1.00 0.00 N ATOM 364 CA GLN A 34 4.349 -2.252 -18.616 1.00 0.00 C ATOM 365 C GLN A 34 4.938 -3.422 -19.427 1.00 0.00 C ATOM 366 O GLN A 34 4.178 -4.252 -19.929 1.00 0.00 O ATOM 367 CB GLN A 34 3.158 -1.565 -19.308 1.00 0.00 C ATOM 368 CG GLN A 34 3.467 -0.509 -20.378 1.00 0.00 C ATOM 369 CD GLN A 34 3.914 -1.097 -21.718 1.00 0.00 C ATOM 370 OE1 GLN A 34 4.929 -1.768 -21.841 1.00 0.00 O ATOM 371 NE2 GLN A 34 3.185 -0.769 -22.759 1.00 0.00 N ATOM 0 H GLN A 34 5.555 -0.544 -18.874 1.00 0.00 H new ATOM 0 HA GLN A 34 4.020 -2.782 -17.722 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.545 -2.340 -19.769 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.549 -1.093 -18.537 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.579 0.102 -20.539 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.247 0.155 -20.005 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.342 -0.209 -22.635 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.462 -1.075 -23.692 1.00 0.00 H new ATOM 375 N ASP A 35 6.215 -3.703 -19.140 1.00 0.00 N ATOM 376 CA ASP A 35 7.056 -4.709 -19.835 1.00 0.00 C ATOM 377 C ASP A 35 6.812 -6.182 -19.435 1.00 0.00 C ATOM 378 O ASP A 35 7.660 -7.055 -19.619 1.00 0.00 O ATOM 379 CB ASP A 35 8.543 -4.353 -19.664 1.00 0.00 C ATOM 380 CG ASP A 35 9.014 -3.141 -20.478 1.00 0.00 C ATOM 381 OD1 ASP A 35 8.325 -2.098 -20.422 1.00 0.00 O ATOM 382 OD2 ASP A 35 10.100 -3.265 -21.081 1.00 0.00 O ATOM 0 H ASP A 35 6.717 -3.224 -18.392 1.00 0.00 H new ATOM 0 HA ASP A 35 6.754 -4.654 -20.881 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.737 -4.161 -18.609 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.144 -5.218 -19.946 1.00 0.00 H new ATOM 384 N LEU A 36 5.564 -6.443 -19.062 1.00 0.00 N ATOM 385 CA LEU A 36 5.002 -7.722 -18.586 1.00 0.00 C ATOM 386 C LEU A 36 3.488 -7.560 -18.384 1.00 0.00 C ATOM 387 O LEU A 36 3.032 -7.140 -17.322 1.00 0.00 O ATOM 388 CB LEU A 36 5.666 -8.172 -17.271 1.00 0.00 C ATOM 389 CG LEU A 36 6.719 -9.265 -17.467 1.00 0.00 C ATOM 390 CD1 LEU A 36 7.614 -9.342 -16.228 1.00 0.00 C ATOM 391 CD2 LEU A 36 6.052 -10.626 -17.693 1.00 0.00 C ATOM 0 H LEU A 36 4.853 -5.712 -19.083 1.00 0.00 H new ATOM 0 HA LEU A 36 5.198 -8.490 -19.334 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.132 -7.310 -16.794 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.897 -8.536 -16.590 1.00 0.00 H new ATOM 0 HG LEU A 36 7.317 -9.016 -18.344 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.364 -10.121 -16.368 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.110 -8.383 -16.078 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.006 -9.577 -15.354 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.819 -11.389 -17.830 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.439 -10.879 -16.828 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.423 -10.580 -18.582 1.00 0.00 H new ATOM 393 N ASN A 37 2.794 -7.595 -19.523 1.00 0.00 N ATOM 394 CA ASN A 37 1.315 -7.574 -19.662 1.00 0.00 C ATOM 395 C ASN A 37 0.548 -6.364 -19.067 1.00 0.00 C ATOM 396 O ASN A 37 -0.674 -6.292 -19.165 1.00 0.00 O ATOM 397 CB ASN A 37 0.785 -8.905 -19.106 1.00 0.00 C ATOM 398 CG ASN A 37 -0.630 -9.256 -19.570 1.00 0.00 C ATOM 399 OD1 ASN A 37 -0.988 -9.161 -20.736 1.00 0.00 O ATOM 400 ND2 ASN A 37 -1.405 -9.810 -18.665 1.00 0.00 N ATOM 0 H ASN A 37 3.262 -7.641 -20.428 1.00 0.00 H new ATOM 0 HA ASN A 37 1.117 -7.447 -20.726 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.462 -9.706 -19.403 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.799 -8.863 -18.017 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.322 -10.170 -18.930 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.090 -9.880 -17.698 1.00 0.00 H new ATOM 404 N ASP A 38 1.288 -5.343 -18.627 1.00 0.00 N ATOM 405 CA ASP A 38 0.799 -4.130 -17.931 1.00 0.00 C ATOM 406 C ASP A 38 -0.028 -4.461 -16.671 1.00 0.00 C ATOM 407 O ASP A 38 -1.229 -4.203 -16.587 1.00 0.00 O ATOM 408 CB ASP A 38 0.015 -3.208 -18.883 1.00 0.00 C ATOM 409 CG ASP A 38 -0.166 -1.781 -18.340 1.00 0.00 C ATOM 410 OD1 ASP A 38 0.126 -1.549 -17.143 1.00 0.00 O ATOM 411 OD2 ASP A 38 -0.413 -0.898 -19.190 1.00 0.00 O ATOM 0 H ASP A 38 2.301 -5.331 -18.749 1.00 0.00 H new ATOM 0 HA ASP A 38 1.685 -3.592 -17.595 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.534 -3.161 -19.841 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.966 -3.644 -19.073 1.00 0.00 H new ATOM 413 N SER A 39 0.691 -4.917 -15.651 1.00 0.00 N ATOM 414 CA SER A 39 0.059 -5.364 -14.390 1.00 0.00 C ATOM 415 C SER A 39 0.835 -5.025 -13.086 1.00 0.00 C ATOM 416 O SER A 39 1.063 -5.916 -12.258 1.00 0.00 O ATOM 417 CB SER A 39 -0.140 -6.870 -14.580 1.00 0.00 C ATOM 418 OG SER A 39 1.135 -7.521 -14.566 1.00 0.00 O ATOM 0 H SER A 39 1.708 -4.991 -15.661 1.00 0.00 H new ATOM 0 HA SER A 39 -0.873 -4.822 -14.229 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.773 -7.268 -13.787 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.650 -7.065 -15.523 1.00 0.00 H new ATOM 0 HG SER A 39 1.571 -7.369 -13.701 1.00 0.00 H new ATOM 421 N PRO A 40 1.255 -3.763 -12.879 1.00 0.00 N ATOM 422 CA PRO A 40 2.182 -3.387 -11.790 1.00 0.00 C ATOM 423 C PRO A 40 1.493 -3.247 -10.415 1.00 0.00 C ATOM 424 O PRO A 40 0.417 -3.793 -10.167 1.00 0.00 O ATOM 425 CB PRO A 40 2.787 -2.056 -12.267 1.00 0.00 C ATOM 426 CG PRO A 40 2.342 -1.889 -13.718 1.00 0.00 C ATOM 427 CD PRO A 40 0.982 -2.579 -13.713 1.00 0.00 C ATOM 0 HA PRO A 40 2.931 -4.160 -11.618 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.437 -1.226 -11.653 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.874 -2.072 -12.191 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.266 -0.840 -14.004 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.036 -2.360 -14.414 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.203 -1.947 -13.286 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.657 -2.851 -14.717 1.00 0.00 H new ATOM 428 N LEU A 41 2.187 -2.543 -9.519 1.00 0.00 N ATOM 429 CA LEU A 41 1.701 -2.129 -8.188 1.00 0.00 C ATOM 430 C LEU A 41 1.231 -0.668 -8.275 1.00 0.00 C ATOM 431 O LEU A 41 2.049 0.251 -8.319 1.00 0.00 O ATOM 432 CB LEU A 41 2.858 -2.338 -7.191 1.00 0.00 C ATOM 433 CG LEU A 41 2.815 -1.562 -5.862 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.629 -1.948 -4.981 1.00 0.00 C ATOM 435 CD2 LEU A 41 4.121 -1.780 -5.098 1.00 0.00 C ATOM 0 H LEU A 41 3.141 -2.230 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 41 0.849 -2.717 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.908 -3.401 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.787 -2.080 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 41 2.691 -0.508 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.656 -1.366 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.699 -1.744 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.684 -3.010 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.089 -1.230 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.249 -2.843 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.958 -1.423 -5.698 1.00 0.00 H new ATOM 437 N LYS A 42 -0.075 -0.505 -8.466 1.00 0.00 N ATOM 438 CA LYS A 42 -0.697 0.826 -8.560 1.00 0.00 C ATOM 439 C LYS A 42 -1.678 1.153 -7.430 1.00 0.00 C ATOM 440 O LYS A 42 -2.513 0.351 -7.007 1.00 0.00 O ATOM 441 CB LYS A 42 -1.337 1.128 -9.923 1.00 0.00 C ATOM 442 CG LYS A 42 -2.475 0.201 -10.358 1.00 0.00 C ATOM 443 CD LYS A 42 -3.283 0.817 -11.509 1.00 0.00 C ATOM 444 CE LYS A 42 -4.406 1.759 -11.050 1.00 0.00 C ATOM 445 NZ LYS A 42 -3.948 3.005 -10.412 1.00 0.00 N ATOM 0 H LYS A 42 -0.732 -1.279 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 42 0.158 1.492 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.716 2.150 -9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.557 1.092 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.066 -0.760 -10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.133 0.007 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.605 1.367 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.717 0.014 -12.105 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.021 2.015 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.046 1.223 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.699 3.722 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.724 2.822 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.097 3.352 -10.899 1.00 0.00 H new ATOM 450 N PHE A 43 -1.484 2.364 -6.933 1.00 0.00 N ATOM 451 CA PHE A 43 -2.310 2.942 -5.866 1.00 0.00 C ATOM 452 C PHE A 43 -2.938 4.292 -6.263 1.00 0.00 C ATOM 453 O PHE A 43 -2.289 5.158 -6.851 1.00 0.00 O ATOM 454 CB PHE A 43 -1.433 3.000 -4.610 1.00 0.00 C ATOM 455 CG PHE A 43 -1.922 3.974 -3.543 1.00 0.00 C ATOM 456 CD1 PHE A 43 -2.806 3.581 -2.549 1.00 0.00 C ATOM 457 CD2 PHE A 43 -1.535 5.301 -3.662 1.00 0.00 C ATOM 458 CE1 PHE A 43 -3.303 4.530 -1.667 1.00 0.00 C ATOM 459 CE2 PHE A 43 -2.045 6.251 -2.795 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.931 5.864 -1.802 1.00 0.00 C ATOM 0 H PHE A 43 -0.743 2.986 -7.257 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.182 2.318 -5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.377 2.002 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.420 3.278 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.105 2.547 -2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.836 5.592 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.977 4.234 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.755 7.287 -2.891 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.336 6.604 -1.127 1.00 0.00 H new ATOM 467 N ILE A 44 -4.190 4.425 -5.841 1.00 0.00 N ATOM 468 CA ILE A 44 -5.041 5.619 -6.026 1.00 0.00 C ATOM 469 C ILE A 44 -5.617 6.162 -4.704 1.00 0.00 C ATOM 470 O ILE A 44 -5.663 5.479 -3.677 1.00 0.00 O ATOM 471 CB ILE A 44 -6.167 5.438 -7.071 1.00 0.00 C ATOM 472 CG1 ILE A 44 -7.123 4.245 -6.857 1.00 0.00 C ATOM 473 CG2 ILE A 44 -5.605 5.577 -8.492 1.00 0.00 C ATOM 474 CD1 ILE A 44 -6.596 2.830 -7.147 1.00 0.00 C ATOM 0 H ILE A 44 -4.670 3.679 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.355 6.365 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.860 6.263 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.459 4.269 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.002 4.407 -7.481 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.410 5.447 -9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.164 6.566 -8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.842 4.817 -8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.382 2.101 -6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.292 2.762 -8.191 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.740 2.622 -6.505 1.00 0.00 H new ATOM 476 N LEU A 45 -6.153 7.375 -4.799 1.00 0.00 N ATOM 477 CA LEU A 45 -6.647 8.143 -3.639 1.00 0.00 C ATOM 478 C LEU A 45 -8.152 8.441 -3.704 1.00 0.00 C ATOM 479 O LEU A 45 -8.698 8.686 -4.778 1.00 0.00 O ATOM 480 CB LEU A 45 -5.790 9.408 -3.452 1.00 0.00 C ATOM 481 CG LEU A 45 -5.641 10.303 -4.689 1.00 0.00 C ATOM 482 CD1 LEU A 45 -6.724 11.384 -4.741 1.00 0.00 C ATOM 483 CD2 LEU A 45 -4.243 10.919 -4.718 1.00 0.00 C ATOM 0 H LEU A 45 -6.262 7.865 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.536 7.520 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.224 10.002 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.796 9.105 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.771 9.684 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.584 11.997 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.707 10.913 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.654 12.013 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.143 11.553 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.091 11.518 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.497 10.126 -4.756 1.00 0.00 H new ATOM 485 N SER A 46 -8.781 8.372 -2.529 1.00 0.00 N ATOM 486 CA SER A 46 -10.239 8.546 -2.316 1.00 0.00 C ATOM 487 C SER A 46 -11.060 7.451 -3.022 1.00 0.00 C ATOM 488 O SER A 46 -10.511 6.503 -3.589 1.00 0.00 O ATOM 489 CB SER A 46 -10.727 9.951 -2.711 1.00 0.00 C ATOM 490 OG SER A 46 -12.055 10.171 -2.214 1.00 0.00 O ATOM 0 H SER A 46 -8.280 8.187 -1.660 1.00 0.00 H new ATOM 0 HA SER A 46 -10.404 8.440 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.051 10.705 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.714 10.057 -3.796 1.00 0.00 H new ATOM 0 HG SER A 46 -12.355 11.068 -2.469 1.00 0.00 H new ATOM 493 N THR A 47 -12.344 7.421 -2.681 1.00 0.00 N ATOM 494 CA THR A 47 -13.334 6.493 -3.281 1.00 0.00 C ATOM 495 C THR A 47 -14.745 7.101 -3.142 1.00 0.00 C ATOM 496 O THR A 47 -15.645 6.527 -2.527 1.00 0.00 O ATOM 497 CB THR A 47 -13.278 5.078 -2.664 1.00 0.00 C ATOM 498 OG1 THR A 47 -11.957 4.739 -2.211 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.715 4.038 -3.700 1.00 0.00 C ATOM 0 H THR A 47 -12.744 8.040 -1.976 1.00 0.00 H new ATOM 0 HA THR A 47 -13.085 6.371 -4.335 1.00 0.00 H new ATOM 0 HB THR A 47 -13.951 5.077 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.299 5.018 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.673 3.043 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.735 4.250 -4.020 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.048 4.080 -4.561 1.00 0.00 H new ATOM 502 N SER A 48 -14.858 8.340 -3.626 1.00 0.00 N ATOM 503 CA SER A 48 -16.061 9.208 -3.571 1.00 0.00 C ATOM 504 C SER A 48 -16.612 9.419 -2.147 1.00 0.00 C ATOM 505 O SER A 48 -16.225 10.376 -1.483 1.00 0.00 O ATOM 506 CB SER A 48 -17.144 8.764 -4.567 1.00 0.00 C ATOM 507 OG SER A 48 -16.620 8.814 -5.896 1.00 0.00 O ATOM 0 H SER A 48 -14.077 8.799 -4.094 1.00 0.00 H new ATOM 0 HA SER A 48 -15.724 10.194 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.475 7.752 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.017 9.412 -4.484 1.00 0.00 H new ATOM 0 HG SER A 48 -17.310 8.529 -6.531 1.00 0.00 H new ATOM 510 N ASP A 49 -17.480 8.517 -1.687 1.00 0.00 N ATOM 511 CA ASP A 49 -18.004 8.517 -0.306 1.00 0.00 C ATOM 512 C ASP A 49 -18.018 7.128 0.375 1.00 0.00 C ATOM 513 O ASP A 49 -18.783 6.891 1.308 1.00 0.00 O ATOM 514 CB ASP A 49 -19.399 9.155 -0.309 1.00 0.00 C ATOM 515 CG ASP A 49 -19.453 10.348 0.648 1.00 0.00 C ATOM 516 OD1 ASP A 49 -19.745 10.111 1.841 1.00 0.00 O ATOM 517 OD2 ASP A 49 -19.213 11.473 0.162 1.00 0.00 O ATOM 0 H ASP A 49 -17.846 7.757 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.316 9.106 0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -19.653 9.481 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -20.143 8.414 -0.016 1.00 0.00 H new ATOM 519 N ASP A 50 -17.147 6.226 -0.081 1.00 0.00 N ATOM 520 CA ASP A 50 -16.994 4.861 0.472 1.00 0.00 C ATOM 521 C ASP A 50 -15.681 4.200 0.032 1.00 0.00 C ATOM 522 O ASP A 50 -15.573 3.620 -1.045 1.00 0.00 O ATOM 523 CB ASP A 50 -18.188 3.965 0.111 1.00 0.00 C ATOM 524 CG ASP A 50 -19.125 3.745 1.304 1.00 0.00 C ATOM 525 OD1 ASP A 50 -18.598 3.563 2.425 1.00 0.00 O ATOM 526 OD2 ASP A 50 -20.348 3.704 1.054 1.00 0.00 O ATOM 0 H ASP A 50 -16.514 6.418 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.964 4.973 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.746 4.418 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.823 3.002 -0.245 1.00 0.00 H new ATOM 528 N SER A 51 -14.678 4.393 0.876 1.00 0.00 N ATOM 529 CA SER A 51 -13.300 3.932 0.617 1.00 0.00 C ATOM 530 C SER A 51 -13.005 2.458 0.907 1.00 0.00 C ATOM 531 O SER A 51 -13.275 1.947 1.991 1.00 0.00 O ATOM 532 CB SER A 51 -12.305 4.812 1.363 1.00 0.00 C ATOM 533 OG SER A 51 -12.300 6.097 0.739 1.00 0.00 O ATOM 0 H SER A 51 -14.786 4.875 1.768 1.00 0.00 H new ATOM 0 HA SER A 51 -13.189 4.024 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.585 4.899 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.309 4.370 1.334 1.00 0.00 H new ATOM 0 HG SER A 51 -12.216 5.989 -0.231 1.00 0.00 H new ATOM 536 N ASP A 52 -12.230 1.896 -0.016 1.00 0.00 N ATOM 537 CA ASP A 52 -11.804 0.475 0.019 1.00 0.00 C ATOM 538 C ASP A 52 -10.881 0.127 1.207 1.00 0.00 C ATOM 539 O ASP A 52 -11.070 -0.894 1.870 1.00 0.00 O ATOM 540 CB ASP A 52 -11.128 0.088 -1.303 1.00 0.00 C ATOM 541 CG ASP A 52 -12.000 0.303 -2.550 1.00 0.00 C ATOM 542 OD1 ASP A 52 -13.219 0.056 -2.468 1.00 0.00 O ATOM 543 OD2 ASP A 52 -11.418 0.805 -3.539 1.00 0.00 O ATOM 0 H ASP A 52 -11.870 2.407 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.715 -0.107 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.211 0.668 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.837 -0.961 -1.255 1.00 0.00 H new ATOM 545 N TYR A 53 -9.880 0.978 1.436 1.00 0.00 N ATOM 546 CA TYR A 53 -8.945 0.847 2.571 1.00 0.00 C ATOM 547 C TYR A 53 -9.228 1.854 3.689 1.00 0.00 C ATOM 548 O TYR A 53 -9.259 3.065 3.462 1.00 0.00 O ATOM 549 CB TYR A 53 -7.501 1.074 2.116 1.00 0.00 C ATOM 550 CG TYR A 53 -6.754 -0.180 1.656 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.785 -1.333 2.425 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.879 -0.094 0.584 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.973 -2.412 2.114 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.042 -1.160 0.283 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.119 -2.335 1.023 1.00 0.00 C ATOM 556 OH TYR A 53 -4.559 -3.473 0.551 1.00 0.00 O ATOM 0 H TYR A 53 -9.688 1.784 0.841 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.086 -0.165 2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.504 1.795 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.946 1.526 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.449 -1.391 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.848 0.803 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.005 -3.307 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.331 -1.077 -0.526 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.116 -3.290 -0.304 1.00 0.00 H new ATOM 563 N ILE A 54 -9.190 1.313 4.899 1.00 0.00 N ATOM 564 CA ILE A 54 -9.310 2.097 6.141 1.00 0.00 C ATOM 565 C ILE A 54 -7.999 2.047 6.948 1.00 0.00 C ATOM 566 O ILE A 54 -7.468 0.980 7.260 1.00 0.00 O ATOM 567 CB ILE A 54 -10.584 1.721 6.934 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.782 2.595 8.181 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.687 0.236 7.296 1.00 0.00 C ATOM 570 CD1 ILE A 54 -11.143 4.044 7.836 1.00 0.00 C ATOM 0 H ILE A 54 -9.075 0.312 5.058 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.452 3.148 5.889 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.398 1.925 6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.570 2.166 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.869 2.584 8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.609 0.060 7.850 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.692 -0.361 6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.834 -0.048 7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.271 4.616 8.755 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.344 4.487 7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.072 4.062 7.265 1.00 0.00 H new ATOM 572 N CYS A 55 -7.363 3.213 6.922 1.00 0.00 N ATOM 573 CA CYS A 55 -6.121 3.543 7.651 1.00 0.00 C ATOM 574 C CYS A 55 -6.247 3.244 9.155 1.00 0.00 C ATOM 575 O CYS A 55 -7.045 3.853 9.861 1.00 0.00 O ATOM 576 CB CYS A 55 -5.832 5.025 7.386 1.00 0.00 C ATOM 577 SG CYS A 55 -4.429 5.775 8.289 1.00 0.00 S ATOM 0 H CYS A 55 -7.707 3.998 6.369 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.295 2.925 7.301 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.652 5.149 6.318 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.731 5.593 7.626 1.00 0.00 H new ATOM 579 N LYS A 56 -5.490 2.233 9.571 1.00 0.00 N ATOM 580 CA LYS A 56 -5.503 1.728 10.957 1.00 0.00 C ATOM 581 C LYS A 56 -4.661 2.619 11.888 1.00 0.00 C ATOM 582 O LYS A 56 -5.191 3.198 12.833 1.00 0.00 O ATOM 583 CB LYS A 56 -5.046 0.265 10.975 1.00 0.00 C ATOM 584 CG LYS A 56 -5.447 -0.422 12.283 1.00 0.00 C ATOM 585 CD LYS A 56 -5.001 -1.885 12.300 1.00 0.00 C ATOM 586 CE LYS A 56 -5.219 -2.530 13.672 1.00 0.00 C ATOM 587 NZ LYS A 56 -4.344 -1.951 14.706 1.00 0.00 N ATOM 0 H LYS A 56 -4.844 1.733 8.960 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.522 1.768 11.342 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.486 -0.267 10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.964 0.217 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.001 0.106 13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.528 -0.367 12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.554 -2.442 11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.946 -1.947 12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.260 -2.405 13.969 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.034 -3.602 13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.811 -2.711 15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.679 -1.284 14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.923 -1.449 15.409 1.00 0.00 H new ATOM 592 N TYR A 57 -3.348 2.650 11.652 1.00 0.00 N ATOM 593 CA TYR A 57 -2.423 3.523 12.406 1.00 0.00 C ATOM 594 C TYR A 57 -1.133 3.869 11.652 1.00 0.00 C ATOM 595 O TYR A 57 -0.626 3.135 10.799 1.00 0.00 O ATOM 596 CB TYR A 57 -2.100 2.984 13.811 1.00 0.00 C ATOM 597 CG TYR A 57 -1.405 1.620 13.807 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.171 0.475 13.659 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.020 1.534 13.835 1.00 0.00 C ATOM 600 CE1 TYR A 57 -1.564 -0.758 13.487 1.00 0.00 C ATOM 601 CE2 TYR A 57 0.594 0.298 13.703 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.177 -0.843 13.517 1.00 0.00 C ATOM 603 OH TYR A 57 0.430 -2.035 13.293 1.00 0.00 O ATOM 0 H TYR A 57 -2.891 2.079 10.941 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.977 4.454 12.522 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.465 3.703 14.328 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.025 2.908 14.382 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.249 0.544 13.678 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.577 2.426 13.959 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.162 -1.644 13.331 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.671 0.222 13.745 1.00 0.00 H new ATOM 0 HH TYR A 57 1.402 -1.923 13.348 1.00 0.00 H new ATOM 610 N ILE A 58 -0.611 5.013 12.066 1.00 0.00 N ATOM 611 CA ILE A 58 0.570 5.658 11.460 1.00 0.00 C ATOM 612 C ILE A 58 1.871 5.058 12.023 1.00 0.00 C ATOM 613 O ILE A 58 1.959 4.778 13.219 1.00 0.00 O ATOM 614 CB ILE A 58 0.507 7.192 11.647 1.00 0.00 C ATOM 615 CG1 ILE A 58 0.675 7.638 13.109 1.00 0.00 C ATOM 616 CG2 ILE A 58 -0.828 7.716 11.090 1.00 0.00 C ATOM 617 CD1 ILE A 58 1.163 9.085 13.248 1.00 0.00 C ATOM 0 H ILE A 58 -0.997 5.540 12.850 1.00 0.00 H new ATOM 0 HA ILE A 58 0.565 5.461 10.388 1.00 0.00 H new ATOM 0 HB ILE A 58 1.348 7.615 11.099 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.279 7.532 13.626 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.382 6.974 13.606 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.877 8.797 11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.900 7.474 10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.654 7.249 11.626 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.260 9.336 14.304 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.131 9.191 12.759 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.445 9.758 12.780 1.00 0.00 H new ATOM 619 N ASN A 59 2.863 4.872 11.160 1.00 0.00 N ATOM 620 CA ASN A 59 4.184 4.415 11.637 1.00 0.00 C ATOM 621 C ASN A 59 5.248 5.509 11.476 1.00 0.00 C ATOM 622 O ASN A 59 5.981 5.597 10.488 1.00 0.00 O ATOM 623 CB ASN A 59 4.597 3.097 10.969 1.00 0.00 C ATOM 624 CG ASN A 59 3.607 1.956 11.224 1.00 0.00 C ATOM 625 OD1 ASN A 59 2.551 1.843 10.615 1.00 0.00 O ATOM 626 ND2 ASN A 59 3.941 1.101 12.163 1.00 0.00 N ATOM 0 H ASN A 59 2.794 5.022 10.154 1.00 0.00 H new ATOM 0 HA ASN A 59 4.100 4.213 12.705 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.690 3.255 9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.581 2.804 11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.317 0.328 12.395 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.825 1.210 12.661 1.00 0.00 H new ATOM 630 N THR A 60 5.242 6.388 12.472 1.00 0.00 N ATOM 631 CA THR A 60 6.241 7.459 12.686 1.00 0.00 C ATOM 632 C THR A 60 7.583 6.925 13.222 1.00 0.00 C ATOM 633 O THR A 60 8.048 7.262 14.310 1.00 0.00 O ATOM 634 CB THR A 60 5.682 8.567 13.597 1.00 0.00 C ATOM 635 OG1 THR A 60 4.709 8.034 14.505 1.00 0.00 O ATOM 636 CG2 THR A 60 5.121 9.727 12.773 1.00 0.00 C ATOM 0 H THR A 60 4.516 6.384 13.188 1.00 0.00 H new ATOM 0 HA THR A 60 6.447 7.891 11.707 1.00 0.00 H new ATOM 0 HB THR A 60 6.502 8.967 14.194 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.367 8.753 15.077 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.733 10.495 13.443 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.913 10.151 12.155 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.317 9.363 12.133 1.00 0.00 H new ATOM 639 N GLU A 61 8.133 6.016 12.426 1.00 0.00 N ATOM 640 CA GLU A 61 9.448 5.366 12.612 1.00 0.00 C ATOM 641 C GLU A 61 10.016 4.978 11.236 1.00 0.00 C ATOM 642 O GLU A 61 10.574 5.829 10.550 1.00 0.00 O ATOM 643 CB GLU A 61 9.369 4.155 13.553 1.00 0.00 C ATOM 644 CG GLU A 61 9.869 4.466 14.968 1.00 0.00 C ATOM 645 CD GLU A 61 10.006 3.205 15.832 1.00 0.00 C ATOM 646 OE1 GLU A 61 9.120 2.324 15.730 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.037 3.113 16.530 1.00 0.00 O ATOM 0 H GLU A 61 7.658 5.687 11.586 1.00 0.00 H new ATOM 0 HA GLU A 61 10.122 6.075 13.093 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.337 3.809 13.606 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.958 3.338 13.136 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.835 4.968 14.907 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.180 5.160 15.449 1.00 0.00 H new ATOM 649 N HIS A 62 9.582 3.826 10.726 1.00 0.00 N ATOM 650 CA HIS A 62 9.990 3.308 9.404 1.00 0.00 C ATOM 651 C HIS A 62 9.143 3.846 8.232 1.00 0.00 C ATOM 652 O HIS A 62 8.857 3.127 7.282 1.00 0.00 O ATOM 653 CB HIS A 62 9.987 1.771 9.455 1.00 0.00 C ATOM 654 CG HIS A 62 11.183 1.196 10.223 1.00 0.00 C ATOM 655 ND1 HIS A 62 11.136 0.187 11.091 1.00 0.00 N ATOM 656 CD2 HIS A 62 12.465 1.494 10.020 1.00 0.00 C ATOM 657 CE1 HIS A 62 12.383 -0.137 11.420 1.00 0.00 C ATOM 658 NE2 HIS A 62 13.203 0.673 10.759 1.00 0.00 N ATOM 0 H HIS A 62 8.931 3.214 11.217 1.00 0.00 H new ATOM 0 HA HIS A 62 10.996 3.673 9.199 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.064 1.430 9.923 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.993 1.379 8.438 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.840 2.269 9.368 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.677 -0.920 12.103 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.222 0.666 10.810 1.00 0.00 H new ATOM 661 N LYS A 63 8.768 5.126 8.334 1.00 0.00 N ATOM 662 CA LYS A 63 7.901 5.872 7.388 1.00 0.00 C ATOM 663 C LYS A 63 6.835 5.009 6.673 1.00 0.00 C ATOM 664 O LYS A 63 6.607 5.051 5.465 1.00 0.00 O ATOM 665 CB LYS A 63 8.797 6.645 6.408 1.00 0.00 C ATOM 666 CG LYS A 63 9.663 7.722 7.072 1.00 0.00 C ATOM 667 CD LYS A 63 8.809 8.880 7.599 1.00 0.00 C ATOM 668 CE LYS A 63 9.106 9.215 9.064 1.00 0.00 C ATOM 669 NZ LYS A 63 8.777 8.100 9.965 1.00 0.00 N ATOM 0 H LYS A 63 9.071 5.708 9.115 1.00 0.00 H new ATOM 0 HA LYS A 63 7.301 6.572 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.447 5.939 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.169 7.114 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.228 7.281 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.389 8.101 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.985 9.764 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.754 8.625 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.161 9.467 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.536 10.097 9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.648 8.461 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.899 7.644 9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.551 7.406 9.955 1.00 0.00 H new ATOM 674 N GLN A 64 6.078 4.311 7.508 1.00 0.00 N ATOM 675 CA GLN A 64 5.245 3.172 7.084 1.00 0.00 C ATOM 676 C GLN A 64 3.783 3.387 7.510 1.00 0.00 C ATOM 677 O GLN A 64 3.493 4.227 8.365 1.00 0.00 O ATOM 678 CB GLN A 64 5.912 1.944 7.725 1.00 0.00 C ATOM 679 CG GLN A 64 5.398 0.563 7.317 1.00 0.00 C ATOM 680 CD GLN A 64 4.493 -0.023 8.397 1.00 0.00 C ATOM 681 OE1 GLN A 64 3.206 -0.032 8.153 1.00 0.00 O flip ATOM 682 NE2 GLN A 64 4.926 -0.478 9.443 1.00 0.00 N flip ATOM 0 H GLN A 64 6.018 4.513 8.506 1.00 0.00 H new ATOM 0 HA GLN A 64 5.192 3.046 6.003 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.978 1.985 7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.811 2.034 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.849 0.638 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.241 -0.106 7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.929 -0.468 9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.285 -0.868 10.134 1.00 0.00 H new ATOM 686 N LEU A 65 2.872 2.800 6.741 1.00 0.00 N ATOM 687 CA LEU A 65 1.440 2.830 7.100 1.00 0.00 C ATOM 688 C LEU A 65 0.773 1.448 7.106 1.00 0.00 C ATOM 689 O LEU A 65 1.079 0.586 6.279 1.00 0.00 O ATOM 690 CB LEU A 65 0.694 3.813 6.185 1.00 0.00 C ATOM 691 CG LEU A 65 -0.274 4.767 6.913 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.445 4.039 7.572 1.00 0.00 C ATOM 693 CD2 LEU A 65 0.447 5.645 7.937 1.00 0.00 C ATOM 0 H LEU A 65 3.085 2.302 5.876 1.00 0.00 H new ATOM 0 HA LEU A 65 1.379 3.177 8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.427 4.408 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.132 3.243 5.445 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.686 5.411 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.091 4.763 8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.015 3.505 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.065 3.329 8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.274 6.301 8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.927 5.013 8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.202 6.248 7.432 1.00 0.00 H new ATOM 695 N THR A 66 -0.042 1.266 8.142 1.00 0.00 N ATOM 696 CA THR A 66 -0.880 0.067 8.355 1.00 0.00 C ATOM 697 C THR A 66 -2.355 0.406 8.088 1.00 0.00 C ATOM 698 O THR A 66 -2.906 1.378 8.610 1.00 0.00 O ATOM 699 CB THR A 66 -0.771 -0.495 9.781 1.00 0.00 C ATOM 700 OG1 THR A 66 -1.217 0.469 10.740 1.00 0.00 O ATOM 701 CG2 THR A 66 0.645 -0.972 10.105 1.00 0.00 C ATOM 0 H THR A 66 -0.148 1.961 8.881 1.00 0.00 H new ATOM 0 HA THR A 66 -0.514 -0.690 7.661 1.00 0.00 H new ATOM 0 HB THR A 66 -1.423 -1.367 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.227 0.063 11.632 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.674 -1.361 11.123 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.932 -1.759 9.408 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.340 -0.137 10.016 1.00 0.00 H new ATOM 704 N LEU A 67 -2.937 -0.361 7.178 1.00 0.00 N ATOM 705 CA LEU A 67 -4.321 -0.139 6.710 1.00 0.00 C ATOM 706 C LEU A 67 -5.009 -1.441 6.288 1.00 0.00 C ATOM 707 O LEU A 67 -4.426 -2.270 5.591 1.00 0.00 O ATOM 708 CB LEU A 67 -4.381 0.917 5.590 1.00 0.00 C ATOM 709 CG LEU A 67 -3.452 0.709 4.381 1.00 0.00 C ATOM 710 CD1 LEU A 67 -4.002 1.490 3.192 1.00 0.00 C ATOM 711 CD2 LEU A 67 -2.039 1.240 4.638 1.00 0.00 C ATOM 0 H LEU A 67 -2.475 -1.156 6.737 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.878 0.252 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.407 0.965 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.153 1.889 6.028 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.407 -0.364 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.350 1.348 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.003 1.131 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.047 2.550 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.421 1.070 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.085 2.308 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.604 0.720 5.492 1.00 0.00 H new ATOM 713 N TYR A 68 -6.273 -1.555 6.675 1.00 0.00 N ATOM 714 CA TYR A 68 -7.073 -2.772 6.448 1.00 0.00 C ATOM 715 C TYR A 68 -8.230 -2.539 5.474 1.00 0.00 C ATOM 716 O TYR A 68 -8.804 -1.454 5.403 1.00 0.00 O ATOM 717 CB TYR A 68 -7.552 -3.418 7.758 1.00 0.00 C ATOM 718 CG TYR A 68 -8.358 -2.524 8.706 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.767 -1.415 9.293 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.653 -2.885 9.055 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.479 -0.640 10.195 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.359 -2.132 9.985 1.00 0.00 C ATOM 723 CZ TYR A 68 -9.771 -1.003 10.548 1.00 0.00 C ATOM 724 OH TYR A 68 -10.461 -0.227 11.417 1.00 0.00 O ATOM 0 H TYR A 68 -6.781 -0.812 7.156 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.400 -3.487 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.161 -4.286 7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.679 -3.786 8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.748 -1.154 9.046 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.112 -3.752 8.603 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.029 0.244 10.622 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.360 -2.421 10.270 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.350 -0.612 11.564 1.00 0.00 H new ATOM 731 N ASN A 69 -8.321 -3.478 4.544 1.00 0.00 N ATOM 732 CA ASN A 69 -9.335 -3.438 3.477 1.00 0.00 C ATOM 733 C ASN A 69 -10.699 -3.931 3.980 1.00 0.00 C ATOM 734 O ASN A 69 -10.853 -5.093 4.366 1.00 0.00 O ATOM 735 CB ASN A 69 -8.864 -4.256 2.275 1.00 0.00 C ATOM 736 CG ASN A 69 -9.598 -3.790 1.019 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.776 -4.059 0.829 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.939 -2.974 0.226 1.00 0.00 N ATOM 0 H ASN A 69 -7.703 -4.288 4.499 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.462 -2.401 3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.788 -4.141 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.053 -5.316 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.410 -2.547 -0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.957 -2.768 0.409 1.00 0.00 H new ATOM 742 N LYS A 70 -11.673 -3.046 3.810 1.00 0.00 N ATOM 743 CA LYS A 70 -13.060 -3.283 4.251 1.00 0.00 C ATOM 744 C LYS A 70 -14.030 -3.516 3.071 1.00 0.00 C ATOM 745 O LYS A 70 -15.213 -3.192 3.124 1.00 0.00 O ATOM 746 CB LYS A 70 -13.482 -2.110 5.144 1.00 0.00 C ATOM 747 CG LYS A 70 -14.059 -2.553 6.496 1.00 0.00 C ATOM 748 CD LYS A 70 -15.518 -3.029 6.438 1.00 0.00 C ATOM 749 CE LYS A 70 -15.693 -4.540 6.628 1.00 0.00 C ATOM 750 NZ LYS A 70 -15.230 -5.319 5.472 1.00 0.00 N ATOM 0 H LYS A 70 -11.533 -2.140 3.363 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.105 -4.209 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.620 -1.466 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.226 -1.511 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.442 -3.359 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.988 -1.722 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.089 -2.509 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.944 -2.743 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.144 -4.855 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.745 -4.759 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.787 -6.194 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.350 -4.758 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.225 -5.557 5.594 1.00 0.00 H new ATOM 755 N ASN A 71 -13.493 -4.111 2.008 1.00 0.00 N ATOM 756 CA ASN A 71 -14.312 -4.566 0.866 1.00 0.00 C ATOM 757 C ASN A 71 -14.529 -6.094 0.860 1.00 0.00 C ATOM 758 O ASN A 71 -15.627 -6.545 0.550 1.00 0.00 O ATOM 759 CB ASN A 71 -13.659 -4.076 -0.432 1.00 0.00 C ATOM 760 CG ASN A 71 -14.617 -3.980 -1.624 1.00 0.00 C ATOM 761 OD1 ASN A 71 -15.833 -3.531 -1.399 1.00 0.00 O flip ATOM 762 ND2 ASN A 71 -14.257 -4.245 -2.760 1.00 0.00 N flip ATOM 0 H ASN A 71 -12.495 -4.293 1.905 1.00 0.00 H new ATOM 0 HA ASN A 71 -15.309 -4.136 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.219 -3.095 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.842 -4.750 -0.691 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.313 -4.593 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.900 -4.119 -3.541 1.00 0.00 H new ATOM 766 N ASN A 72 -13.506 -6.856 1.260 1.00 0.00 N ATOM 767 CA ASN A 72 -13.616 -8.328 1.407 1.00 0.00 C ATOM 768 C ASN A 72 -14.020 -8.832 2.804 1.00 0.00 C ATOM 769 O ASN A 72 -14.924 -9.656 2.922 1.00 0.00 O ATOM 770 CB ASN A 72 -12.318 -9.039 0.999 1.00 0.00 C ATOM 771 CG ASN A 72 -12.069 -9.098 -0.510 1.00 0.00 C ATOM 772 OD1 ASN A 72 -12.951 -9.303 -1.327 1.00 0.00 O ATOM 773 ND2 ASN A 72 -10.813 -9.048 -0.898 1.00 0.00 N ATOM 0 H ASN A 72 -12.585 -6.484 1.491 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.434 -8.579 0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.477 -8.532 1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.338 -10.056 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.577 -9.181 -1.882 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.075 -8.877 -0.215 1.00 0.00 H new ATOM 777 N SER A 73 -13.319 -8.360 3.840 1.00 0.00 N ATOM 778 CA SER A 73 -13.475 -8.849 5.232 1.00 0.00 C ATOM 779 C SER A 73 -12.728 -7.943 6.229 1.00 0.00 C ATOM 780 O SER A 73 -13.369 -7.157 6.918 1.00 0.00 O ATOM 781 CB SER A 73 -13.032 -10.317 5.363 1.00 0.00 C ATOM 782 OG SER A 73 -13.317 -10.804 6.677 1.00 0.00 O ATOM 0 H SER A 73 -12.620 -7.623 3.746 1.00 0.00 H new ATOM 0 HA SER A 73 -14.535 -8.805 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.547 -10.927 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.965 -10.402 5.160 1.00 0.00 H new ATOM 0 HG SER A 73 -13.033 -11.739 6.748 1.00 0.00 H new ATOM 785 N SER A 74 -11.422 -8.162 6.407 1.00 0.00 N ATOM 786 CA SER A 74 -10.513 -7.268 7.169 1.00 0.00 C ATOM 787 C SER A 74 -9.038 -7.656 6.986 1.00 0.00 C ATOM 788 O SER A 74 -8.400 -8.318 7.807 1.00 0.00 O ATOM 789 CB SER A 74 -10.869 -7.137 8.661 1.00 0.00 C ATOM 790 OG SER A 74 -11.291 -8.393 9.199 1.00 0.00 O ATOM 0 H SER A 74 -10.947 -8.979 6.022 1.00 0.00 H new ATOM 0 HA SER A 74 -10.663 -6.279 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.004 -6.773 9.214 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.661 -6.399 8.786 1.00 0.00 H new ATOM 0 HG SER A 74 -12.138 -8.659 8.783 1.00 0.00 H new ATOM 793 N ILE A 75 -8.512 -7.115 5.893 1.00 0.00 N ATOM 794 CA ILE A 75 -7.160 -7.437 5.387 1.00 0.00 C ATOM 795 C ILE A 75 -6.231 -6.241 5.654 1.00 0.00 C ATOM 796 O ILE A 75 -6.208 -5.271 4.895 1.00 0.00 O ATOM 797 CB ILE A 75 -7.144 -7.777 3.877 1.00 0.00 C ATOM 798 CG1 ILE A 75 -8.266 -8.718 3.416 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.802 -8.408 3.492 1.00 0.00 C ATOM 800 CD1 ILE A 75 -9.546 -7.967 3.044 1.00 0.00 C ATOM 0 H ILE A 75 -9.008 -6.433 5.319 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.816 -8.327 5.914 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.304 -6.823 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.923 -9.293 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.485 -9.432 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.802 -8.643 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.995 -7.708 3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.652 -9.323 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.306 -8.680 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.908 -7.413 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.337 -7.272 2.231 1.00 0.00 H new ATOM 802 N VAL A 76 -5.514 -6.346 6.764 1.00 0.00 N ATOM 803 CA VAL A 76 -4.560 -5.314 7.212 1.00 0.00 C ATOM 804 C VAL A 76 -3.182 -5.515 6.559 1.00 0.00 C ATOM 805 O VAL A 76 -2.556 -6.569 6.647 1.00 0.00 O ATOM 806 CB VAL A 76 -4.528 -5.189 8.752 1.00 0.00 C ATOM 807 CG1 VAL A 76 -4.068 -6.455 9.484 1.00 0.00 C ATOM 808 CG2 VAL A 76 -3.726 -3.960 9.195 1.00 0.00 C ATOM 0 H VAL A 76 -5.570 -7.150 7.390 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.910 -4.342 6.864 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.568 -5.053 9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.076 -6.277 10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.743 -7.278 9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.057 -6.712 9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.723 -3.901 10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.701 -4.044 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.183 -3.060 8.784 1.00 0.00 H new ATOM 810 N ILE A 77 -2.838 -4.515 5.765 1.00 0.00 N ATOM 811 CA ILE A 77 -1.538 -4.462 5.075 1.00 0.00 C ATOM 812 C ILE A 77 -0.647 -3.360 5.663 1.00 0.00 C ATOM 813 O ILE A 77 -1.102 -2.276 6.032 1.00 0.00 O ATOM 814 CB ILE A 77 -1.688 -4.345 3.544 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.452 -3.099 3.084 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.312 -5.612 2.951 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.508 -2.011 2.573 1.00 0.00 C ATOM 0 H ILE A 77 -3.441 -3.715 5.574 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.037 -5.414 5.252 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.674 -4.232 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.152 -3.373 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.043 -2.708 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.405 -5.500 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.676 -6.469 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.299 -5.769 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.089 -1.145 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.825 -1.718 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.936 -2.393 1.727 1.00 0.00 H new ATOM 819 N GLU A 78 0.617 -3.732 5.794 1.00 0.00 N ATOM 820 CA GLU A 78 1.677 -2.840 6.307 1.00 0.00 C ATOM 821 C GLU A 78 2.806 -2.651 5.291 1.00 0.00 C ATOM 822 O GLU A 78 3.488 -3.605 4.911 1.00 0.00 O ATOM 823 CB GLU A 78 2.210 -3.186 7.707 1.00 0.00 C ATOM 824 CG GLU A 78 2.212 -4.654 8.151 1.00 0.00 C ATOM 825 CD GLU A 78 0.815 -5.226 8.431 1.00 0.00 C ATOM 826 OE1 GLU A 78 -0.030 -4.484 8.985 1.00 0.00 O ATOM 827 OE2 GLU A 78 0.606 -6.389 8.024 1.00 0.00 O ATOM 0 H GLU A 78 0.951 -4.664 5.549 1.00 0.00 H new ATOM 0 HA GLU A 78 1.178 -1.881 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.235 -2.820 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.624 -2.622 8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.691 -5.255 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.819 -4.749 9.051 1.00 0.00 H new ATOM 829 N ILE A 79 2.744 -1.468 4.695 1.00 0.00 N ATOM 830 CA ILE A 79 3.653 -1.051 3.604 1.00 0.00 C ATOM 831 C ILE A 79 4.505 0.178 3.966 1.00 0.00 C ATOM 832 O ILE A 79 4.003 1.146 4.539 1.00 0.00 O ATOM 833 CB ILE A 79 2.890 -0.797 2.289 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.763 0.242 2.440 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.377 -2.131 1.729 1.00 0.00 C ATOM 836 CD1 ILE A 79 1.231 0.782 1.107 1.00 0.00 C ATOM 0 H ILE A 79 2.060 -0.755 4.948 1.00 0.00 H new ATOM 0 HA ILE A 79 4.335 -1.888 3.457 1.00 0.00 H new ATOM 0 HB ILE A 79 3.586 -0.359 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.939 -0.209 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.129 1.076 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.837 -1.952 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.221 -2.794 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.708 -2.596 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.440 1.508 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.042 1.264 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.832 -0.041 0.514 1.00 0.00 H new ATOM 838 N PHE A 80 5.777 0.086 3.595 1.00 0.00 N ATOM 839 CA PHE A 80 6.730 1.213 3.695 1.00 0.00 C ATOM 840 C PHE A 80 7.061 1.702 2.280 1.00 0.00 C ATOM 841 O PHE A 80 7.499 0.935 1.430 1.00 0.00 O ATOM 842 CB PHE A 80 8.021 0.859 4.457 1.00 0.00 C ATOM 843 CG PHE A 80 9.097 1.967 4.567 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.832 3.308 4.295 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.387 1.629 4.958 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.824 4.273 4.342 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.379 2.600 5.058 1.00 0.00 C ATOM 848 CZ PHE A 80 11.106 3.925 4.740 1.00 0.00 C ATOM 0 H PHE A 80 6.188 -0.767 3.215 1.00 0.00 H new ATOM 0 HA PHE A 80 6.250 2.001 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.746 0.552 5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.474 -0.006 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.825 3.603 4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.623 0.600 5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.600 5.294 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.370 2.321 5.386 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.882 4.674 4.802 1.00 0.00 H new ATOM 855 N ILE A 81 6.857 3.002 2.153 1.00 0.00 N ATOM 856 CA ILE A 81 7.081 3.815 0.941 1.00 0.00 C ATOM 857 C ILE A 81 8.301 4.758 1.137 1.00 0.00 C ATOM 858 O ILE A 81 8.156 5.858 1.666 1.00 0.00 O ATOM 859 CB ILE A 81 5.743 4.533 0.662 1.00 0.00 C ATOM 860 CG1 ILE A 81 5.742 5.271 -0.673 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.270 5.447 1.799 1.00 0.00 C ATOM 862 CD1 ILE A 81 5.706 4.250 -1.804 1.00 0.00 C ATOM 0 H ILE A 81 6.510 3.563 2.931 1.00 0.00 H new ATOM 0 HA ILE A 81 7.347 3.221 0.067 1.00 0.00 H new ATOM 0 HB ILE A 81 5.012 3.727 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.879 5.934 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.631 5.896 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.324 5.912 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.133 4.858 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.016 6.221 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.705 4.769 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.583 3.606 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.804 3.644 -1.719 1.00 0.00 H new ATOM 864 N PRO A 82 9.526 4.280 0.875 1.00 0.00 N ATOM 865 CA PRO A 82 10.738 5.103 1.055 1.00 0.00 C ATOM 866 C PRO A 82 10.887 6.108 -0.106 1.00 0.00 C ATOM 867 O PRO A 82 10.275 7.174 -0.101 1.00 0.00 O ATOM 868 CB PRO A 82 11.895 4.092 1.167 1.00 0.00 C ATOM 869 CG PRO A 82 11.231 2.732 1.371 1.00 0.00 C ATOM 870 CD PRO A 82 9.890 2.873 0.657 1.00 0.00 C ATOM 0 HA PRO A 82 10.709 5.729 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.509 4.098 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.551 4.337 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.829 1.927 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.099 2.505 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.975 2.641 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.142 2.197 1.072 1.00 0.00 H new ATOM 871 N ASN A 83 11.662 5.681 -1.099 1.00 0.00 N ATOM 872 CA ASN A 83 12.095 6.304 -2.366 1.00 0.00 C ATOM 873 C ASN A 83 13.341 5.483 -2.770 1.00 0.00 C ATOM 874 O ASN A 83 13.410 4.307 -2.407 1.00 0.00 O ATOM 875 CB ASN A 83 12.393 7.811 -2.237 1.00 0.00 C ATOM 876 CG ASN A 83 12.595 8.437 -3.622 1.00 0.00 C ATOM 877 OD1 ASN A 83 11.824 8.255 -4.549 1.00 0.00 O ATOM 878 ND2 ASN A 83 13.771 8.969 -3.871 1.00 0.00 N ATOM 0 H ASN A 83 12.066 4.747 -1.029 1.00 0.00 H new ATOM 0 HA ASN A 83 11.310 6.277 -3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.570 8.308 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.286 7.961 -1.630 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.025 9.222 -4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.430 9.129 -3.109 1.00 0.00 H new ATOM 882 N ASP A 84 14.282 6.056 -3.527 1.00 0.00 N ATOM 883 CA ASP A 84 15.562 5.412 -3.913 1.00 0.00 C ATOM 884 C ASP A 84 15.410 3.974 -4.445 1.00 0.00 C ATOM 885 O ASP A 84 16.263 3.113 -4.241 1.00 0.00 O ATOM 886 CB ASP A 84 16.552 5.473 -2.740 1.00 0.00 C ATOM 887 CG ASP A 84 17.840 6.208 -3.121 1.00 0.00 C ATOM 888 OD1 ASP A 84 17.709 7.309 -3.706 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.921 5.691 -2.771 1.00 0.00 O ATOM 0 H ASP A 84 14.183 7.000 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 84 15.955 5.982 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.083 5.976 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.793 4.461 -2.415 1.00 0.00 H new ATOM 891 N ASN A 85 14.292 3.772 -5.143 1.00 0.00 N ATOM 892 CA ASN A 85 13.856 2.496 -5.745 1.00 0.00 C ATOM 893 C ASN A 85 13.739 1.374 -4.689 1.00 0.00 C ATOM 894 O ASN A 85 14.576 0.479 -4.613 1.00 0.00 O ATOM 895 CB ASN A 85 14.802 2.141 -6.915 1.00 0.00 C ATOM 896 CG ASN A 85 15.235 3.374 -7.727 1.00 0.00 C ATOM 897 OD1 ASN A 85 14.294 4.124 -8.258 1.00 0.00 O flip ATOM 898 ND2 ASN A 85 16.401 3.724 -7.822 1.00 0.00 N flip ATOM 0 H ASN A 85 13.628 4.526 -5.317 1.00 0.00 H new ATOM 0 HA ASN A 85 12.850 2.607 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.687 1.642 -6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 85 14.304 1.432 -7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.140 3.151 -7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.636 4.589 -8.309 1.00 0.00 H new ATOM 902 N LYS A 86 12.685 1.465 -3.868 1.00 0.00 N ATOM 903 CA LYS A 86 12.365 0.472 -2.810 1.00 0.00 C ATOM 904 C LYS A 86 10.952 0.695 -2.233 1.00 0.00 C ATOM 905 O LYS A 86 10.506 1.837 -2.133 1.00 0.00 O ATOM 906 CB LYS A 86 13.374 0.639 -1.663 1.00 0.00 C ATOM 907 CG LYS A 86 13.502 -0.594 -0.763 1.00 0.00 C ATOM 908 CD LYS A 86 14.421 -0.277 0.420 1.00 0.00 C ATOM 909 CE LYS A 86 14.845 -1.519 1.215 1.00 0.00 C ATOM 910 NZ LYS A 86 13.717 -2.227 1.843 1.00 0.00 N ATOM 0 H LYS A 86 12.017 2.235 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 86 12.413 -0.524 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.352 0.872 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.078 1.492 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.519 -0.896 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.903 -1.432 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.312 0.231 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.913 0.417 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.369 -2.205 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.553 -1.221 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.073 -3.054 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.229 -1.587 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.051 -2.540 1.108 1.00 0.00 H new ATOM 915 N ILE A 87 10.247 -0.412 -1.996 1.00 0.00 N ATOM 916 CA ILE A 87 8.972 -0.510 -1.242 1.00 0.00 C ATOM 917 C ILE A 87 8.783 -1.951 -0.714 1.00 0.00 C ATOM 918 O ILE A 87 9.093 -2.923 -1.404 1.00 0.00 O ATOM 919 CB ILE A 87 7.744 -0.033 -2.067 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.448 -0.072 -1.235 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.576 -0.828 -3.368 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.213 0.585 -1.862 1.00 0.00 C ATOM 0 H ILE A 87 10.558 -1.321 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 87 9.037 0.171 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 87 7.940 1.004 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.210 -1.114 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.643 0.411 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.705 -0.459 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.466 -0.707 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.437 -1.883 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.367 0.492 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.416 1.640 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.977 0.091 -2.804 1.00 0.00 H new ATOM 924 N LEU A 88 8.219 -2.049 0.487 1.00 0.00 N ATOM 925 CA LEU A 88 7.907 -3.345 1.125 1.00 0.00 C ATOM 926 C LEU A 88 6.400 -3.486 1.409 1.00 0.00 C ATOM 927 O LEU A 88 5.783 -2.573 1.959 1.00 0.00 O ATOM 928 CB LEU A 88 8.674 -3.454 2.448 1.00 0.00 C ATOM 929 CG LEU A 88 9.045 -4.904 2.767 1.00 0.00 C ATOM 930 CD1 LEU A 88 10.403 -5.249 2.151 1.00 0.00 C ATOM 931 CD2 LEU A 88 9.036 -5.153 4.275 1.00 0.00 C ATOM 0 H LEU A 88 7.962 -1.240 1.052 1.00 0.00 H new ATOM 0 HA LEU A 88 8.204 -4.139 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.579 -2.850 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.066 -3.047 3.256 1.00 0.00 H new ATOM 0 HG LEU A 88 8.295 -5.560 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.656 -6.283 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.355 -5.123 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.167 -4.587 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.303 -6.191 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.758 -4.494 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.041 -4.952 4.671 1.00 0.00 H new ATOM 933 N LEU A 89 5.863 -4.659 1.070 1.00 0.00 N ATOM 934 CA LEU A 89 4.446 -5.022 1.302 1.00 0.00 C ATOM 935 C LEU A 89 4.263 -6.254 2.203 1.00 0.00 C ATOM 936 O LEU A 89 4.704 -7.350 1.865 1.00 0.00 O ATOM 937 CB LEU A 89 3.765 -5.242 -0.057 1.00 0.00 C ATOM 938 CG LEU A 89 2.283 -5.637 -0.020 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.492 -4.794 -1.022 1.00 0.00 C ATOM 940 CD2 LEU A 89 2.133 -7.115 -0.388 1.00 0.00 C ATOM 0 H LEU A 89 6.400 -5.400 0.620 1.00 0.00 H new ATOM 0 HA LEU A 89 3.980 -4.196 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.860 -4.326 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.312 -6.018 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 89 1.899 -5.465 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.441 -5.081 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.588 -3.739 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.882 -4.961 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.079 -7.392 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.526 -7.282 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.687 -7.726 0.325 1.00 0.00 H new ATOM 942 N THR A 90 3.401 -6.073 3.199 1.00 0.00 N ATOM 943 CA THR A 90 3.008 -7.138 4.156 1.00 0.00 C ATOM 944 C THR A 90 1.479 -7.280 4.149 1.00 0.00 C ATOM 945 O THR A 90 0.782 -6.275 4.274 1.00 0.00 O ATOM 946 CB THR A 90 3.427 -6.778 5.593 1.00 0.00 C ATOM 947 OG1 THR A 90 4.738 -6.211 5.618 1.00 0.00 O ATOM 948 CG2 THR A 90 3.375 -7.993 6.529 1.00 0.00 C ATOM 0 H THR A 90 2.943 -5.179 3.378 1.00 0.00 H new ATOM 0 HA THR A 90 3.501 -8.061 3.850 1.00 0.00 H new ATOM 0 HB THR A 90 2.709 -6.040 5.952 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.684 -5.253 5.419 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.678 -7.693 7.532 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.359 -8.385 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.051 -8.765 6.161 1.00 0.00 H new ATOM 951 N ILE A 91 1.022 -8.530 4.214 1.00 0.00 N ATOM 952 CA ILE A 91 -0.412 -8.892 4.293 1.00 0.00 C ATOM 953 C ILE A 91 -0.641 -9.670 5.606 1.00 0.00 C ATOM 954 O ILE A 91 0.166 -10.521 5.983 1.00 0.00 O ATOM 955 CB ILE A 91 -0.831 -9.736 3.066 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.550 -8.986 1.753 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.319 -10.126 3.134 1.00 0.00 C ATOM 958 CD1 ILE A 91 -0.517 -9.889 0.512 1.00 0.00 C ATOM 0 H ILE A 91 1.640 -9.341 4.214 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.026 -7.991 4.288 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.232 -10.647 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.314 -8.221 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.406 -8.469 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.580 -10.718 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.501 -10.712 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.931 -9.224 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.314 -9.285 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.266 -10.638 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.480 -10.386 0.398 1.00 0.00 H new ATOM 960 N MET A 92 -1.729 -9.301 6.277 1.00 0.00 N ATOM 961 CA MET A 92 -2.242 -9.928 7.514 1.00 0.00 C ATOM 962 C MET A 92 -3.764 -9.681 7.588 1.00 0.00 C ATOM 963 O MET A 92 -4.288 -8.812 6.893 1.00 0.00 O ATOM 964 CB MET A 92 -1.493 -9.278 8.689 1.00 0.00 C ATOM 965 CG MET A 92 -1.560 -10.058 10.008 1.00 0.00 C ATOM 966 SD MET A 92 -3.082 -9.787 10.984 1.00 0.00 S ATOM 967 CE MET A 92 -2.806 -10.943 12.310 1.00 0.00 C ATOM 0 H MET A 92 -2.311 -8.522 5.968 1.00 0.00 H new ATOM 0 HA MET A 92 -2.079 -11.005 7.540 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.447 -9.154 8.410 1.00 0.00 H new ATOM 0 HB3 MET A 92 -1.900 -8.280 8.853 1.00 0.00 H new ATOM 0 HG2 MET A 92 -1.470 -11.122 9.789 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.700 -9.785 10.619 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.725 -11.066 12.882 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.504 -11.905 11.897 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.019 -10.566 12.964 1.00 0.00 H new ATOM 969 N ASN A 93 -4.486 -10.536 8.305 1.00 0.00 N ATOM 970 CA ASN A 93 -5.952 -10.396 8.464 1.00 0.00 C ATOM 971 C ASN A 93 -6.351 -10.458 9.943 1.00 0.00 C ATOM 972 O ASN A 93 -5.833 -11.312 10.661 1.00 0.00 O ATOM 973 CB ASN A 93 -6.684 -11.515 7.712 1.00 0.00 C ATOM 974 CG ASN A 93 -6.374 -11.537 6.215 1.00 0.00 C ATOM 975 OD1 ASN A 93 -7.075 -10.972 5.391 1.00 0.00 O ATOM 976 ND2 ASN A 93 -5.327 -12.240 5.840 1.00 0.00 N ATOM 0 H ASN A 93 -4.089 -11.340 8.792 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.235 -9.427 8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.410 -12.476 8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.758 -11.396 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.093 -12.318 4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.749 -12.707 6.539 1.00 0.00 H new ATOM 980 N THR A 94 -7.362 -9.663 10.304 1.00 0.00 N ATOM 981 CA THR A 94 -7.942 -9.520 11.669 1.00 0.00 C ATOM 982 C THR A 94 -7.328 -10.398 12.791 1.00 0.00 C ATOM 983 O THR A 94 -6.311 -10.035 13.376 1.00 0.00 O ATOM 984 CB THR A 94 -9.490 -9.576 11.606 1.00 0.00 C ATOM 985 OG1 THR A 94 -10.047 -9.465 12.919 1.00 0.00 O ATOM 986 CG2 THR A 94 -10.059 -10.813 10.889 1.00 0.00 C ATOM 0 H THR A 94 -7.833 -9.064 9.626 1.00 0.00 H new ATOM 0 HA THR A 94 -7.638 -8.527 12.001 1.00 0.00 H new ATOM 0 HB THR A 94 -9.786 -8.722 10.997 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.025 -9.500 12.864 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.148 -10.767 10.893 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.701 -10.834 9.860 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.732 -11.715 11.405 1.00 0.00 H new ATOM 989 N GLU A 95 -7.932 -11.561 13.026 1.00 0.00 N ATOM 990 CA GLU A 95 -7.459 -12.629 13.930 1.00 0.00 C ATOM 991 C GLU A 95 -7.128 -13.909 13.129 1.00 0.00 C ATOM 992 O GLU A 95 -7.592 -15.009 13.427 1.00 0.00 O ATOM 993 CB GLU A 95 -8.562 -12.882 14.968 1.00 0.00 C ATOM 994 CG GLU A 95 -8.629 -11.821 16.072 1.00 0.00 C ATOM 995 CD GLU A 95 -7.873 -12.259 17.331 1.00 0.00 C ATOM 996 OE1 GLU A 95 -8.258 -13.310 17.892 1.00 0.00 O ATOM 997 OE2 GLU A 95 -6.968 -11.505 17.748 1.00 0.00 O ATOM 0 H GLU A 95 -8.812 -11.805 12.571 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.541 -12.329 14.436 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.525 -12.924 14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.401 -13.858 15.425 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.208 -10.886 15.703 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.671 -11.624 16.324 1.00 0.00 H new ATOM 999 N ALA A 96 -6.437 -13.700 12.012 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.060 -14.761 11.059 1.00 0.00 C ATOM 1001 C ALA A 96 -4.545 -14.751 10.755 1.00 0.00 C ATOM 1002 O ALA A 96 -3.765 -14.088 11.435 1.00 0.00 O ATOM 1003 CB ALA A 96 -6.924 -14.581 9.803 1.00 0.00 C ATOM 0 H ALA A 96 -6.113 -12.774 11.731 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.249 -15.744 11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.671 -15.351 9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.977 -14.666 10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.738 -13.598 9.371 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.151 -15.470 9.707 1.00 0.00 N ATOM 1006 CA LEU A 97 -2.738 -15.637 9.311 1.00 0.00 C ATOM 1007 C LEU A 97 -2.154 -14.471 8.491 1.00 0.00 C ATOM 1008 O LEU A 97 -2.875 -13.688 7.864 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.562 -16.978 8.589 1.00 0.00 C ATOM 1010 CG LEU A 97 -2.791 -18.186 9.511 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -2.880 -19.464 8.676 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -1.669 -18.327 10.546 1.00 0.00 C ATOM 0 H LEU A 97 -4.804 -15.962 9.097 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.157 -15.631 10.233 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.258 -17.029 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.557 -17.031 8.171 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.727 -18.025 10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.042 -20.318 9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.710 -19.383 7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.951 -19.603 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.865 -19.192 11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.716 -18.461 10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.627 -17.428 11.161 1.00 0.00 H new ATOM 1014 N GLY A 98 -0.820 -14.426 8.545 1.00 0.00 N ATOM 1015 CA GLY A 98 0.030 -13.441 7.848 1.00 0.00 C ATOM 1016 C GLY A 98 1.486 -13.927 7.890 1.00 0.00 C ATOM 1017 O GLY A 98 1.742 -15.103 7.640 1.00 0.00 O ATOM 0 H GLY A 98 -0.278 -15.095 9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.299 -13.322 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.056 -12.464 8.324 1.00 0.00 H new ATOM 1019 N THR A 99 2.403 -12.971 8.037 1.00 0.00 N ATOM 1020 CA THR A 99 3.860 -13.202 8.258 1.00 0.00 C ATOM 1021 C THR A 99 4.543 -14.216 7.312 1.00 0.00 C ATOM 1022 O THR A 99 5.385 -15.017 7.712 1.00 0.00 O ATOM 1023 CB THR A 99 4.179 -13.528 9.733 1.00 0.00 C ATOM 1024 OG1 THR A 99 3.463 -14.684 10.177 1.00 0.00 O ATOM 1025 CG2 THR A 99 3.916 -12.331 10.651 1.00 0.00 C ATOM 0 H THR A 99 2.162 -11.980 8.007 1.00 0.00 H new ATOM 0 HA THR A 99 4.303 -12.241 7.995 1.00 0.00 H new ATOM 0 HB THR A 99 5.244 -13.752 9.788 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.686 -14.867 11.114 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.153 -12.602 11.680 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.541 -11.493 10.344 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.866 -12.045 10.584 1.00 0.00 H new ATOM 1028 N SER A 100 4.100 -14.170 6.059 1.00 0.00 N ATOM 1029 CA SER A 100 4.523 -15.066 4.959 1.00 0.00 C ATOM 1030 C SER A 100 4.803 -14.371 3.604 1.00 0.00 C ATOM 1031 O SER A 100 5.904 -14.564 3.093 1.00 0.00 O ATOM 1032 CB SER A 100 3.512 -16.220 4.825 1.00 0.00 C ATOM 1033 OG SER A 100 3.731 -17.001 3.647 1.00 0.00 O ATOM 0 H SER A 100 3.408 -13.484 5.758 1.00 0.00 H new ATOM 0 HA SER A 100 5.501 -15.457 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.580 -16.863 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.501 -15.814 4.806 1.00 0.00 H new ATOM 0 HG SER A 100 3.068 -17.722 3.604 1.00 0.00 H new ATOM 1036 N PRO A 101 3.921 -13.502 3.065 1.00 0.00 N ATOM 1037 CA PRO A 101 4.121 -12.882 1.737 1.00 0.00 C ATOM 1038 C PRO A 101 5.359 -11.971 1.622 1.00 0.00 C ATOM 1039 O PRO A 101 6.236 -12.257 0.816 1.00 0.00 O ATOM 1040 CB PRO A 101 2.797 -12.181 1.411 1.00 0.00 C ATOM 1041 CG PRO A 101 2.232 -11.832 2.785 1.00 0.00 C ATOM 1042 CD PRO A 101 2.647 -13.021 3.648 1.00 0.00 C ATOM 0 HA PRO A 101 4.358 -13.645 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.954 -11.290 0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.124 -12.833 0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.644 -10.897 3.164 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.149 -11.714 2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.778 -12.725 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.887 -13.803 3.632 1.00 0.00 H new ATOM 1043 N ARG A 102 5.296 -10.800 2.262 1.00 0.00 N ATOM 1044 CA ARG A 102 6.354 -9.766 2.311 1.00 0.00 C ATOM 1045 C ARG A 102 7.211 -9.589 1.050 1.00 0.00 C ATOM 1046 O ARG A 102 8.378 -9.973 0.968 1.00 0.00 O ATOM 1047 CB ARG A 102 7.208 -9.847 3.578 1.00 0.00 C ATOM 1048 CG ARG A 102 6.401 -9.357 4.777 1.00 0.00 C ATOM 1049 CD ARG A 102 7.314 -9.110 5.974 1.00 0.00 C ATOM 1050 NE ARG A 102 6.719 -9.750 7.157 1.00 0.00 N ATOM 1051 CZ ARG A 102 7.282 -10.715 7.886 1.00 0.00 C ATOM 1052 NH1 ARG A 102 8.499 -11.178 7.628 1.00 0.00 N ATOM 1053 NH2 ARG A 102 6.625 -11.252 8.898 1.00 0.00 N ATOM 0 H ARG A 102 4.467 -10.526 2.789 1.00 0.00 H new ATOM 0 HA ARG A 102 5.772 -8.845 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.534 -10.874 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.107 -9.242 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 102 5.876 -8.438 4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 102 5.642 -10.095 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.307 -9.517 5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.435 -8.040 6.143 1.00 0.00 H new ATOM 0 HE ARG A 102 5.795 -9.428 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.036 -10.795 6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.897 -11.917 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.684 -10.929 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.058 -11.990 9.453 1.00 0.00 H new ATOM 1060 N MET A 103 6.657 -8.753 0.184 1.00 0.00 N ATOM 1061 CA MET A 103 7.227 -8.523 -1.151 1.00 0.00 C ATOM 1062 C MET A 103 7.943 -7.170 -1.212 1.00 0.00 C ATOM 1063 O MET A 103 7.414 -6.137 -0.801 1.00 0.00 O ATOM 1064 CB MET A 103 6.119 -8.655 -2.198 1.00 0.00 C ATOM 1065 CG MET A 103 6.704 -8.861 -3.599 1.00 0.00 C ATOM 1066 SD MET A 103 5.499 -9.557 -4.788 1.00 0.00 S ATOM 1067 CE MET A 103 5.485 -11.256 -4.252 1.00 0.00 C ATOM 0 H MET A 103 5.810 -8.217 0.376 1.00 0.00 H new ATOM 0 HA MET A 103 7.985 -9.276 -1.368 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.473 -9.495 -1.944 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.497 -7.760 -2.188 1.00 0.00 H new ATOM 0 HG2 MET A 103 7.068 -7.906 -3.978 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.565 -9.527 -3.532 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.956 -11.864 -4.985 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.509 -11.615 -4.154 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.981 -11.329 -3.288 1.00 0.00 H new ATOM 1069 N THR A 104 9.220 -7.297 -1.555 1.00 0.00 N ATOM 1070 CA THR A 104 10.142 -6.164 -1.756 1.00 0.00 C ATOM 1071 C THR A 104 10.268 -5.854 -3.249 1.00 0.00 C ATOM 1072 O THR A 104 10.752 -6.655 -4.052 1.00 0.00 O ATOM 1073 CB THR A 104 11.516 -6.376 -1.085 1.00 0.00 C ATOM 1074 OG1 THR A 104 12.334 -5.227 -1.320 1.00 0.00 O ATOM 1075 CG2 THR A 104 12.240 -7.673 -1.474 1.00 0.00 C ATOM 0 H THR A 104 9.661 -8.204 -1.706 1.00 0.00 H new ATOM 0 HA THR A 104 9.713 -5.296 -1.256 1.00 0.00 H new ATOM 0 HB THR A 104 11.324 -6.496 -0.019 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.208 -5.355 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.194 -7.728 -0.950 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.625 -8.530 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.415 -7.683 -2.550 1.00 0.00 H new ATOM 1078 N PHE A 105 9.615 -4.759 -3.604 1.00 0.00 N ATOM 1079 CA PHE A 105 9.556 -4.278 -4.995 1.00 0.00 C ATOM 1080 C PHE A 105 10.394 -3.001 -5.040 1.00 0.00 C ATOM 1081 O PHE A 105 10.324 -2.159 -4.146 1.00 0.00 O ATOM 1082 CB PHE A 105 8.130 -3.901 -5.435 1.00 0.00 C ATOM 1083 CG PHE A 105 6.992 -4.637 -4.725 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.576 -4.156 -3.491 1.00 0.00 C ATOM 1085 CD2 PHE A 105 6.206 -5.571 -5.393 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.368 -4.553 -2.948 1.00 0.00 C ATOM 1087 CE2 PHE A 105 5.006 -5.996 -4.833 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.583 -5.486 -3.611 1.00 0.00 C ATOM 0 H PHE A 105 9.107 -4.171 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 105 9.911 -5.069 -5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.995 -2.830 -5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.042 -4.083 -6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.203 -3.464 -2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.528 -5.966 -6.346 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.035 -4.137 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.400 -6.725 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.649 -5.814 -3.180 1.00 0.00 H new ATOM 1095 N ILE A 106 11.262 -2.919 -6.036 1.00 0.00 N ATOM 1096 CA ILE A 106 12.068 -1.701 -6.236 1.00 0.00 C ATOM 1097 C ILE A 106 11.600 -0.978 -7.504 1.00 0.00 C ATOM 1098 O ILE A 106 11.103 -1.605 -8.440 1.00 0.00 O ATOM 1099 CB ILE A 106 13.586 -1.984 -6.209 1.00 0.00 C ATOM 1100 CG1 ILE A 106 14.060 -2.885 -7.358 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.973 -2.561 -4.835 1.00 0.00 C ATOM 1102 CD1 ILE A 106 15.574 -2.802 -7.590 1.00 0.00 C ATOM 0 H ILE A 106 11.433 -3.662 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 106 11.904 -1.029 -5.394 1.00 0.00 H new ATOM 0 HB ILE A 106 14.101 -1.036 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.786 -3.917 -7.141 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.540 -2.603 -8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 106 15.044 -2.762 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.723 -1.842 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.427 -3.488 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.852 -3.459 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.849 -1.776 -7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 106 16.098 -3.111 -6.686 1.00 0.00 H new ATOM 1104 N LYS A 107 11.554 0.348 -7.406 1.00 0.00 N ATOM 1105 CA LYS A 107 11.103 1.239 -8.494 1.00 0.00 C ATOM 1106 C LYS A 107 12.150 1.222 -9.621 1.00 0.00 C ATOM 1107 O LYS A 107 13.040 2.066 -9.652 1.00 0.00 O ATOM 1108 CB LYS A 107 10.914 2.638 -7.883 1.00 0.00 C ATOM 1109 CG LYS A 107 10.211 3.687 -8.751 1.00 0.00 C ATOM 1110 CD LYS A 107 8.736 3.357 -9.010 1.00 0.00 C ATOM 1111 CE LYS A 107 7.887 4.623 -9.182 1.00 0.00 C ATOM 1112 NZ LYS A 107 8.319 5.479 -10.300 1.00 0.00 N ATOM 0 H LYS A 107 11.830 0.849 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 107 10.159 0.916 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.348 2.530 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.896 3.025 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.280 4.660 -8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.732 3.770 -9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.654 2.741 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.345 2.768 -8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.848 4.334 -9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.922 5.201 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.702 6.314 -10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.301 5.784 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.260 4.944 -11.190 1.00 0.00 H new ATOM 1117 N HIS A 108 12.061 0.176 -10.442 1.00 0.00 N ATOM 1118 CA HIS A 108 12.961 -0.180 -11.567 1.00 0.00 C ATOM 1119 C HIS A 108 14.079 -1.127 -11.102 1.00 0.00 C ATOM 1120 O HIS A 108 15.030 -0.719 -10.440 1.00 0.00 O ATOM 1121 CB HIS A 108 13.569 1.005 -12.343 1.00 0.00 C ATOM 1122 CG HIS A 108 12.517 1.901 -13.005 1.00 0.00 C ATOM 1123 ND1 HIS A 108 12.049 1.758 -14.239 1.00 0.00 N ATOM 1124 CD2 HIS A 108 11.910 2.953 -12.460 1.00 0.00 C ATOM 1125 CE1 HIS A 108 11.146 2.710 -14.449 1.00 0.00 C ATOM 1126 NE2 HIS A 108 11.051 3.446 -13.347 1.00 0.00 N ATOM 0 H HIS A 108 11.306 -0.502 -10.341 1.00 0.00 H new ATOM 0 HA HIS A 108 12.304 -0.681 -12.278 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.171 1.606 -11.661 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.243 0.621 -13.109 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.085 3.340 -11.467 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.585 2.860 -15.360 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.432 4.244 -13.207 1.00 0.00 H new ATOM 1129 N LYS A 109 13.837 -2.424 -11.289 1.00 0.00 N ATOM 1130 CA LYS A 109 14.872 -3.466 -11.063 1.00 0.00 C ATOM 1131 C LYS A 109 16.121 -3.308 -11.954 1.00 0.00 C ATOM 1132 O LYS A 109 17.212 -3.697 -11.481 1.00 99.99 O ATOM 1133 CG LYS A 109 13.280 -5.301 -10.211 1.00 0.00 C ATOM 1134 CD LYS A 109 12.957 -6.792 -10.350 1.00 0.00 C ATOM 1135 CE LYS A 109 11.632 -7.198 -9.690 1.00 0.00 C ATOM 1136 NZ LYS A 109 11.605 -7.017 -8.231 1.00 0.00 N ATOM 1137 OXT LYS A 109 15.947 -2.869 -13.115 1.00 99.99 O ATOM 0 H LYS A 109 12.937 -2.792 -11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.920 -7.050 -11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.766 -7.373 -9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.825 -6.614 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.431 -8.245 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.679 -7.313 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.352 -7.595 -7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.765 -6.015 -8.002 1.00 0.00 H new TER 1142 LYS A 109