USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1141 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 117 SER OG : rot -160:sc= 1.24 USER MOD Set 1.2: A 120 SER OG : rot -92:sc= -0.385 USER MOD Set 1.3: A 130 HIS : no HE2:sc= -8.66! C(o=-7.8!,f=-16!) USER MOD Set 2.1: A 125 THR OG1 : rot 18:sc= 0.355! USER MOD Set 2.2: A 126 ASN : amide:sc= -5.37! C(o=-5!,f=-19!) USER MOD Set 3.1: A 97 GLN : amide:sc= 0.528 K(o=1.7,f=-2.8!) USER MOD Set 3.2: A 99 SER OG : rot -77:sc= 1.15 USER MOD Set 4.1: A 6 SER OG : rot -170:sc= -0.385 USER MOD Set 4.2: A 8 HIS : no HD1:sc= -2.43! C(o=-2.8!,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= -2.03 (180deg=-2.19) USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= 0.889 (180deg=0.76) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.102 (180deg=-0.658) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00661 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0071 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0.71 (180deg=0.643) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.96 X(o=-3,f=-3.4) USER MOD Single : A 40 THR OG1 : rot 135:sc= -0.591 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 46 ASN : amide:sc= 0.536 K(o=0.54,f=-3.3!) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= -0.968 (180deg=-2.12) USER MOD Single : A 52 MET CE :methyl 159:sc= -0.653 (180deg=-1.53) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.561 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= -0.435 (180deg=-1.18) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.027) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.161 F(o=-1.7!,f=-0.16) USER MOD Single : A 69 ASN :FLIP amide:sc= -4.26! C(o=-5.9!,f=-4.3!) USER MOD Single : A 73 TYR OH : rot -83:sc= 1.58 USER MOD Single : A 74 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : A 91 ASN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -62:sc= -0.246 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= 0.198 (180deg=0.166) USER MOD Single : A 107 ASN : amide:sc= -0.0993 K(o=-0.099,f=-2.2!) USER MOD Single : A 109 THR OG1 : rot 70:sc= 0.167 USER MOD Single : A 113 ASN : amide:sc= -0.0904 K(o=-0.09,f=-0.73) USER MOD Single : A 116 LYS NZ :NH3+ 172:sc= -4.27! (180deg=-4.59!) USER MOD Single : A 118 LYS NZ :NH3+ -178:sc= -0.7 (180deg=-0.709) USER MOD Single : A 123 MET CE :methyl -158:sc= -0.107 (180deg=-0.268) USER MOD Single : A 124 THR OG1 : rot -49:sc= -1.39! USER MOD Single : A 134 LYS NZ :NH3+ -167:sc= -0.154 (180deg=-0.422) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.553 5.741 0.923 1.00 0.00 N ATOM 2 CA GLY A 1 -24.069 6.959 1.535 1.00 0.00 C ATOM 3 C GLY A 1 -22.992 7.653 2.363 1.00 0.00 C ATOM 4 O GLY A 1 -23.112 7.770 3.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.305 5.287 0.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.754 5.977 0.300 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.232 5.088 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.429 7.635 0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.922 6.718 2.170 1.00 0.00 H new ATOM 8 N ALA A 2 -21.942 8.113 1.690 1.00 0.00 N ATOM 9 CA ALA A 2 -20.848 8.797 2.371 1.00 0.00 C ATOM 10 C ALA A 2 -20.408 10.022 1.574 1.00 0.00 C ATOM 11 O ALA A 2 -20.594 10.082 0.358 1.00 0.00 O ATOM 12 CB ALA A 2 -19.664 7.843 2.545 1.00 0.00 C ATOM 0 H ALA A 2 -21.825 8.026 0.680 1.00 0.00 H new ATOM 0 HA ALA A 2 -21.197 9.121 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.851 8.361 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.974 6.983 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.322 7.505 1.567 1.00 0.00 H new ATOM 18 N MET A 3 -19.826 10.996 2.267 1.00 0.00 N ATOM 19 CA MET A 3 -19.364 12.219 1.615 1.00 0.00 C ATOM 20 C MET A 3 -17.957 12.576 2.081 1.00 0.00 C ATOM 21 O MET A 3 -17.546 13.733 2.012 1.00 0.00 O ATOM 22 CB MET A 3 -20.319 13.372 1.940 1.00 0.00 C ATOM 23 CG MET A 3 -20.253 14.428 0.835 1.00 0.00 C ATOM 24 SD MET A 3 -21.421 15.760 1.209 1.00 0.00 S ATOM 25 CE MET A 3 -22.788 15.147 0.195 1.00 0.00 C ATOM 0 H MET A 3 -19.663 10.964 3.273 1.00 0.00 H new ATOM 0 HA MET A 3 -19.345 12.052 0.538 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.338 12.996 2.036 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.052 13.818 2.898 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.242 14.827 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.493 13.978 -0.128 1.00 0.00 H new ATOM 0 HE1 MET A 3 -23.635 15.828 0.276 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.470 15.085 -0.846 1.00 0.00 H new ATOM 0 HE3 MET A 3 -23.084 14.157 0.543 1.00 0.00 H new ATOM 35 N GLU A 4 -17.228 11.569 2.557 1.00 0.00 N ATOM 36 CA GLU A 4 -15.864 11.779 3.035 1.00 0.00 C ATOM 37 C GLU A 4 -14.899 10.852 2.301 1.00 0.00 C ATOM 38 O GLU A 4 -15.100 9.638 2.255 1.00 0.00 O ATOM 39 CB GLU A 4 -15.779 11.523 4.545 1.00 0.00 C ATOM 40 CG GLU A 4 -17.151 11.110 5.089 1.00 0.00 C ATOM 41 CD GLU A 4 -18.141 12.266 4.960 1.00 0.00 C ATOM 42 OE1 GLU A 4 -17.696 13.381 4.739 1.00 0.00 O ATOM 43 OE2 GLU A 4 -19.328 12.019 5.086 1.00 0.00 O ATOM 0 H GLU A 4 -17.556 10.606 2.622 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.586 12.814 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.048 10.740 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.433 12.422 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.521 10.243 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.061 10.814 6.134 1.00 0.00 H new ATOM 50 N LYS A 5 -13.850 11.437 1.728 1.00 0.00 N ATOM 51 CA LYS A 5 -12.857 10.664 0.994 1.00 0.00 C ATOM 52 C LYS A 5 -12.497 9.399 1.753 1.00 0.00 C ATOM 53 O LYS A 5 -11.752 9.443 2.732 1.00 0.00 O ATOM 54 CB LYS A 5 -11.600 11.507 0.774 1.00 0.00 C ATOM 55 CG LYS A 5 -10.771 10.904 -0.363 1.00 0.00 C ATOM 56 CD LYS A 5 -11.282 11.420 -1.712 1.00 0.00 C ATOM 57 CE LYS A 5 -10.459 12.634 -2.140 1.00 0.00 C ATOM 58 NZ LYS A 5 -10.261 13.536 -0.971 1.00 0.00 N ATOM 0 H LYS A 5 -13.668 12.440 1.759 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.280 10.385 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.876 12.533 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.009 11.543 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.721 11.167 -0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.833 9.816 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.209 10.635 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.335 11.691 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.494 12.313 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.968 13.168 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.730 14.379 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.187 13.825 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.728 13.035 -0.232 1.00 0.00 H new ATOM 72 N SER A 6 -13.030 8.275 1.294 1.00 0.00 N ATOM 73 CA SER A 6 -12.762 6.999 1.938 1.00 0.00 C ATOM 74 C SER A 6 -11.782 6.178 1.130 1.00 0.00 C ATOM 75 O SER A 6 -11.510 6.479 -0.031 1.00 0.00 O ATOM 76 CB SER A 6 -14.056 6.213 2.106 1.00 0.00 C ATOM 77 OG SER A 6 -15.088 6.838 1.352 1.00 0.00 O ATOM 0 H SER A 6 -13.647 8.222 0.483 1.00 0.00 H new ATOM 0 HA SER A 6 -12.327 7.204 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.917 5.185 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.334 6.170 3.159 1.00 0.00 H new ATOM 0 HG SER A 6 -15.951 6.433 1.580 1.00 0.00 H new ATOM 83 N LEU A 7 -11.243 5.144 1.756 1.00 0.00 N ATOM 84 CA LEU A 7 -10.286 4.297 1.086 1.00 0.00 C ATOM 85 C LEU A 7 -10.826 3.827 -0.265 1.00 0.00 C ATOM 86 O LEU A 7 -10.279 4.165 -1.314 1.00 0.00 O ATOM 87 CB LEU A 7 -9.982 3.073 1.955 1.00 0.00 C ATOM 88 CG LEU A 7 -8.672 3.280 2.715 1.00 0.00 C ATOM 89 CD1 LEU A 7 -7.502 3.358 1.733 1.00 0.00 C ATOM 90 CD2 LEU A 7 -8.747 4.580 3.510 1.00 0.00 C ATOM 0 H LEU A 7 -11.453 4.878 2.718 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.377 4.875 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.797 2.906 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.912 2.182 1.331 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.517 2.440 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.573 3.506 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.442 2.430 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.655 4.194 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.813 4.729 4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.908 5.415 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.574 4.526 4.218 1.00 0.00 H new ATOM 102 N HIS A 8 -11.910 3.052 -0.229 1.00 0.00 N ATOM 103 CA HIS A 8 -12.512 2.539 -1.457 1.00 0.00 C ATOM 104 C HIS A 8 -12.949 3.686 -2.355 1.00 0.00 C ATOM 105 O HIS A 8 -12.693 3.677 -3.560 1.00 0.00 O ATOM 106 CB HIS A 8 -13.712 1.650 -1.129 1.00 0.00 C ATOM 107 CG HIS A 8 -14.510 2.254 -0.003 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.278 3.394 -0.174 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.674 1.885 1.314 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.863 3.671 1.006 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.529 2.784 1.946 1.00 0.00 N ATOM 0 H HIS A 8 -12.384 2.769 0.628 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.764 1.946 -1.983 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.342 1.536 -2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.371 0.653 -0.850 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.211 1.030 1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.523 4.510 1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.835 2.768 2.919 1.00 0.00 H new ATOM 120 N GLU A 9 -13.600 4.678 -1.765 1.00 0.00 N ATOM 121 CA GLU A 9 -14.052 5.833 -2.526 1.00 0.00 C ATOM 122 C GLU A 9 -12.877 6.460 -3.270 1.00 0.00 C ATOM 123 O GLU A 9 -12.988 6.831 -4.440 1.00 0.00 O ATOM 124 CB GLU A 9 -14.677 6.858 -1.577 1.00 0.00 C ATOM 125 CG GLU A 9 -15.246 8.029 -2.378 1.00 0.00 C ATOM 126 CD GLU A 9 -14.502 9.311 -2.027 1.00 0.00 C ATOM 127 OE1 GLU A 9 -13.330 9.402 -2.354 1.00 0.00 O ATOM 128 OE2 GLU A 9 -15.114 10.184 -1.434 1.00 0.00 O ATOM 0 H GLU A 9 -13.825 4.707 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.798 5.514 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.467 6.389 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.928 7.218 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.157 7.828 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.308 8.145 -2.163 1.00 0.00 H new ATOM 135 N LYS A 10 -11.744 6.567 -2.584 1.00 0.00 N ATOM 136 CA LYS A 10 -10.550 7.140 -3.188 1.00 0.00 C ATOM 137 C LYS A 10 -10.155 6.356 -4.432 1.00 0.00 C ATOM 138 O LYS A 10 -10.052 6.920 -5.518 1.00 0.00 O ATOM 139 CB LYS A 10 -9.393 7.124 -2.185 1.00 0.00 C ATOM 140 CG LYS A 10 -8.197 7.890 -2.768 1.00 0.00 C ATOM 141 CD LYS A 10 -7.875 9.106 -1.892 1.00 0.00 C ATOM 142 CE LYS A 10 -6.555 9.731 -2.348 1.00 0.00 C ATOM 143 NZ LYS A 10 -6.733 10.358 -3.689 1.00 0.00 N ATOM 0 H LYS A 10 -11.629 6.266 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.768 8.170 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.706 7.579 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.106 6.096 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.329 7.234 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.422 8.213 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.679 9.839 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.805 8.806 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.227 10.479 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.777 8.969 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.811 10.677 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.139 9.662 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.374 11.173 -3.609 1.00 0.00 H new ATOM 157 N LEU A 11 -9.943 5.050 -4.272 1.00 0.00 N ATOM 158 CA LEU A 11 -9.564 4.212 -5.412 1.00 0.00 C ATOM 159 C LEU A 11 -10.604 4.323 -6.522 1.00 0.00 C ATOM 160 O LEU A 11 -10.268 4.296 -7.707 1.00 0.00 O ATOM 161 CB LEU A 11 -9.433 2.749 -4.975 1.00 0.00 C ATOM 162 CG LEU A 11 -8.550 2.662 -3.728 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.331 1.197 -3.351 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.197 3.325 -4.002 1.00 0.00 C ATOM 0 H LEU A 11 -10.025 4.556 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.603 4.560 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.418 2.332 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.001 2.156 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.045 3.178 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.702 1.140 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.293 0.727 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.842 0.678 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.573 3.260 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.703 2.815 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.351 4.372 -4.261 1.00 0.00 H new ATOM 176 N LYS A 12 -11.868 4.453 -6.135 1.00 0.00 N ATOM 177 CA LYS A 12 -12.948 4.570 -7.107 1.00 0.00 C ATOM 178 C LYS A 12 -12.898 5.920 -7.811 1.00 0.00 C ATOM 179 O LYS A 12 -13.365 6.054 -8.941 1.00 0.00 O ATOM 180 CB LYS A 12 -14.302 4.389 -6.412 1.00 0.00 C ATOM 181 CG LYS A 12 -14.501 2.925 -6.010 1.00 0.00 C ATOM 182 CD LYS A 12 -15.636 2.827 -4.985 1.00 0.00 C ATOM 183 CE LYS A 12 -16.308 1.451 -5.076 1.00 0.00 C ATOM 184 NZ LYS A 12 -17.505 1.423 -4.190 1.00 0.00 N ATOM 0 H LYS A 12 -12.169 4.480 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.823 3.788 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.353 5.026 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.105 4.703 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.737 2.324 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.580 2.524 -5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.244 2.984 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.370 3.612 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.600 1.244 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.606 0.671 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.961 0.490 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.214 1.602 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.177 2.157 -4.491 1.00 0.00 H new ATOM 198 N GLN A 13 -12.323 6.911 -7.145 1.00 0.00 N ATOM 199 CA GLN A 13 -12.213 8.241 -7.731 1.00 0.00 C ATOM 200 C GLN A 13 -10.811 8.460 -8.302 1.00 0.00 C ATOM 201 O GLN A 13 -10.582 9.390 -9.074 1.00 0.00 O ATOM 202 CB GLN A 13 -12.515 9.300 -6.669 1.00 0.00 C ATOM 203 CG GLN A 13 -12.553 10.690 -7.311 1.00 0.00 C ATOM 204 CD GLN A 13 -13.868 11.380 -6.967 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.819 11.331 -7.747 1.00 0.00 O ATOM 206 NE2 GLN A 13 -13.978 12.022 -5.837 1.00 0.00 N ATOM 0 H GLN A 13 -11.929 6.823 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.936 8.328 -8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.471 9.085 -6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.755 9.271 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.714 11.288 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.448 10.604 -8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.188 12.060 -5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.854 12.486 -5.597 1.00 0.00 H new ATOM 215 N ASP A 14 -9.875 7.595 -7.917 1.00 0.00 N ATOM 216 CA ASP A 14 -8.499 7.709 -8.396 1.00 0.00 C ATOM 217 C ASP A 14 -8.264 6.830 -9.627 1.00 0.00 C ATOM 218 O ASP A 14 -8.150 5.605 -9.529 1.00 0.00 O ATOM 219 CB ASP A 14 -7.524 7.311 -7.285 1.00 0.00 C ATOM 220 CG ASP A 14 -7.051 8.554 -6.539 1.00 0.00 C ATOM 221 OD1 ASP A 14 -7.874 9.179 -5.890 1.00 0.00 O ATOM 222 OD2 ASP A 14 -5.874 8.864 -6.627 1.00 0.00 O ATOM 0 H ASP A 14 -10.041 6.815 -7.281 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.327 8.747 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.009 6.623 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.670 6.785 -7.710 1.00 0.00 H new ATOM 227 N LYS A 15 -8.181 7.467 -10.789 1.00 0.00 N ATOM 228 CA LYS A 15 -7.948 6.737 -12.030 1.00 0.00 C ATOM 229 C LYS A 15 -6.532 6.166 -12.052 1.00 0.00 C ATOM 230 O LYS A 15 -6.209 5.306 -12.871 1.00 0.00 O ATOM 231 CB LYS A 15 -8.150 7.667 -13.225 1.00 0.00 C ATOM 232 CG LYS A 15 -8.967 6.945 -14.296 1.00 0.00 C ATOM 233 CD LYS A 15 -9.025 7.805 -15.558 1.00 0.00 C ATOM 234 CE LYS A 15 -8.209 7.138 -16.666 1.00 0.00 C ATOM 235 NZ LYS A 15 -8.841 5.838 -17.032 1.00 0.00 N ATOM 0 H LYS A 15 -8.270 8.477 -10.898 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.660 5.914 -12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.664 8.575 -12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.185 7.971 -13.631 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.517 5.978 -14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.975 6.749 -13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.059 7.931 -15.878 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.632 8.801 -15.351 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.159 7.789 -17.539 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.185 6.975 -16.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.668 5.639 -18.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.431 5.077 -16.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.865 5.889 -16.860 1.00 0.00 H new ATOM 249 N ARG A 16 -5.697 6.652 -11.137 1.00 0.00 N ATOM 250 CA ARG A 16 -4.313 6.189 -11.043 1.00 0.00 C ATOM 251 C ARG A 16 -4.244 4.839 -10.335 1.00 0.00 C ATOM 252 O ARG A 16 -3.249 4.122 -10.448 1.00 0.00 O ATOM 253 CB ARG A 16 -3.464 7.216 -10.287 1.00 0.00 C ATOM 254 CG ARG A 16 -4.114 7.552 -8.943 1.00 0.00 C ATOM 255 CD ARG A 16 -3.387 8.734 -8.301 1.00 0.00 C ATOM 256 NE ARG A 16 -1.992 8.763 -8.723 1.00 0.00 N ATOM 257 CZ ARG A 16 -1.289 9.888 -8.678 1.00 0.00 C ATOM 258 NH1 ARG A 16 -1.849 10.987 -8.254 1.00 0.00 N ATOM 259 NH2 ARG A 16 -0.042 9.895 -9.062 1.00 0.00 N ATOM 0 H ARG A 16 -5.952 7.364 -10.452 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.921 6.073 -12.053 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.461 6.821 -10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.358 8.121 -10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.167 7.795 -9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.075 6.686 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.878 9.666 -8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.444 8.658 -7.215 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.550 7.907 -9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.825 10.981 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.311 11.853 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.393 9.036 -9.397 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.498 10.760 -9.027 1.00 0.00 H new ATOM 273 N PHE A 17 -5.308 4.501 -9.611 1.00 0.00 N ATOM 274 CA PHE A 17 -5.362 3.231 -8.888 1.00 0.00 C ATOM 275 C PHE A 17 -6.509 2.359 -9.397 1.00 0.00 C ATOM 276 O PHE A 17 -6.657 1.217 -8.977 1.00 0.00 O ATOM 277 CB PHE A 17 -5.531 3.482 -7.386 1.00 0.00 C ATOM 278 CG PHE A 17 -4.537 4.524 -6.902 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.178 4.448 -7.258 1.00 0.00 C ATOM 280 CD2 PHE A 17 -4.983 5.575 -6.088 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.278 5.417 -6.795 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.082 6.541 -5.630 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.731 6.465 -5.986 1.00 0.00 C ATOM 0 H PHE A 17 -6.139 5.083 -9.509 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.423 2.705 -9.062 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.547 3.818 -7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.386 2.551 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.829 3.643 -7.888 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.026 5.638 -5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.234 5.355 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.429 7.347 -5.001 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.038 7.215 -5.636 1.00 0.00 H new ATOM 293 N SER A 18 -7.308 2.894 -10.305 1.00 0.00 N ATOM 294 CA SER A 18 -8.426 2.142 -10.874 1.00 0.00 C ATOM 295 C SER A 18 -8.050 0.667 -11.070 1.00 0.00 C ATOM 296 O SER A 18 -8.846 -0.242 -10.804 1.00 0.00 O ATOM 297 CB SER A 18 -8.799 2.752 -12.223 1.00 0.00 C ATOM 298 OG SER A 18 -10.151 3.182 -12.189 1.00 0.00 O ATOM 0 H SER A 18 -7.208 3.843 -10.666 1.00 0.00 H new ATOM 0 HA SER A 18 -9.271 2.194 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.144 3.594 -12.447 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.659 2.019 -13.017 1.00 0.00 H new ATOM 0 HG SER A 18 -10.391 3.575 -13.054 1.00 0.00 H new ATOM 304 N THR A 19 -6.822 0.435 -11.523 1.00 0.00 N ATOM 305 CA THR A 19 -6.348 -0.927 -11.737 1.00 0.00 C ATOM 306 C THR A 19 -6.453 -1.716 -10.440 1.00 0.00 C ATOM 307 O THR A 19 -6.885 -2.875 -10.431 1.00 0.00 O ATOM 308 CB THR A 19 -4.891 -0.915 -12.202 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.729 0.051 -13.229 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.505 -2.298 -12.735 1.00 0.00 C ATOM 0 H THR A 19 -6.144 1.164 -11.747 1.00 0.00 H new ATOM 0 HA THR A 19 -6.965 -1.395 -12.504 1.00 0.00 H new ATOM 0 HB THR A 19 -4.247 -0.662 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.795 0.060 -13.526 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.466 -2.284 -13.065 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.625 -3.039 -11.945 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.149 -2.557 -13.575 1.00 0.00 H new ATOM 318 N PHE A 20 -6.052 -1.080 -9.342 1.00 0.00 N ATOM 319 CA PHE A 20 -6.103 -1.733 -8.043 1.00 0.00 C ATOM 320 C PHE A 20 -7.530 -2.122 -7.726 1.00 0.00 C ATOM 321 O PHE A 20 -7.783 -3.189 -7.181 1.00 0.00 O ATOM 322 CB PHE A 20 -5.538 -0.826 -6.946 1.00 0.00 C ATOM 323 CG PHE A 20 -4.044 -1.040 -6.842 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.417 -0.959 -5.594 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.285 -1.331 -7.989 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.035 -1.172 -5.491 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.912 -1.539 -7.882 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.286 -1.462 -6.639 1.00 0.00 C ATOM 0 H PHE A 20 -5.693 -0.125 -9.328 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.486 -2.630 -8.081 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.753 0.218 -7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.016 -1.048 -5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.997 -0.733 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.767 -1.393 -8.954 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.549 -1.113 -4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.331 -1.761 -8.765 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.221 -1.626 -6.561 1.00 0.00 H new ATOM 338 N LEU A 21 -8.463 -1.261 -8.093 1.00 0.00 N ATOM 339 CA LEU A 21 -9.862 -1.547 -7.855 1.00 0.00 C ATOM 340 C LEU A 21 -10.250 -2.847 -8.546 1.00 0.00 C ATOM 341 O LEU A 21 -10.987 -3.661 -7.993 1.00 0.00 O ATOM 342 CB LEU A 21 -10.724 -0.416 -8.410 1.00 0.00 C ATOM 343 CG LEU A 21 -11.966 -0.227 -7.531 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.851 0.837 -8.135 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.745 -1.540 -7.424 1.00 0.00 C ATOM 0 H LEU A 21 -8.278 -0.369 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.023 -1.640 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.148 0.509 -8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.023 -0.643 -9.433 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.651 0.078 -6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.735 0.973 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.301 1.776 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.157 0.531 -9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.624 -1.391 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.058 -1.859 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.108 -2.306 -6.980 1.00 0.00 H new ATOM 357 N SER A 22 -9.748 -3.029 -9.767 1.00 0.00 N ATOM 358 CA SER A 22 -10.069 -4.233 -10.538 1.00 0.00 C ATOM 359 C SER A 22 -9.527 -5.503 -9.880 1.00 0.00 C ATOM 360 O SER A 22 -10.271 -6.442 -9.606 1.00 0.00 O ATOM 361 CB SER A 22 -9.500 -4.120 -11.957 1.00 0.00 C ATOM 362 OG SER A 22 -8.983 -5.383 -12.361 1.00 0.00 O ATOM 0 H SER A 22 -9.127 -2.371 -10.239 1.00 0.00 H new ATOM 0 HA SER A 22 -11.156 -4.308 -10.573 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.278 -3.795 -12.648 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.713 -3.366 -11.986 1.00 0.00 H new ATOM 0 HG SER A 22 -8.620 -5.313 -13.269 1.00 0.00 H new ATOM 368 N LEU A 23 -8.224 -5.527 -9.645 1.00 0.00 N ATOM 369 CA LEU A 23 -7.576 -6.697 -9.042 1.00 0.00 C ATOM 370 C LEU A 23 -7.988 -6.908 -7.579 1.00 0.00 C ATOM 371 O LEU A 23 -8.219 -8.046 -7.153 1.00 0.00 O ATOM 372 CB LEU A 23 -6.047 -6.563 -9.142 1.00 0.00 C ATOM 373 CG LEU A 23 -5.603 -5.204 -8.576 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.134 -5.358 -7.130 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.440 -4.628 -9.391 1.00 0.00 C ATOM 0 H LEU A 23 -7.591 -4.756 -9.859 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.908 -7.572 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.566 -7.371 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.732 -6.654 -10.182 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.460 -4.533 -8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.823 -4.388 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.951 -5.746 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.293 -6.050 -7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.143 -3.667 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.595 -5.316 -9.356 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.753 -4.491 -10.426 1.00 0.00 H new ATOM 387 N LEU A 24 -8.064 -5.827 -6.804 1.00 0.00 N ATOM 388 CA LEU A 24 -8.424 -5.949 -5.393 1.00 0.00 C ATOM 389 C LEU A 24 -9.860 -6.408 -5.253 1.00 0.00 C ATOM 390 O LEU A 24 -10.208 -7.119 -4.310 1.00 0.00 O ATOM 391 CB LEU A 24 -8.189 -4.625 -4.651 1.00 0.00 C ATOM 392 CG LEU A 24 -9.416 -3.697 -4.754 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.501 -4.062 -3.731 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.961 -2.277 -4.459 1.00 0.00 C ATOM 0 H LEU A 24 -7.885 -4.874 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.781 -6.701 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.971 -4.828 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.315 -4.123 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.835 -3.799 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.347 -3.383 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.834 -5.086 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.094 -3.977 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.813 -1.601 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.539 -2.231 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.204 -1.979 -5.184 1.00 0.00 H new ATOM 406 N GLU A 25 -10.690 -6.009 -6.199 1.00 0.00 N ATOM 407 CA GLU A 25 -12.082 -6.393 -6.180 1.00 0.00 C ATOM 408 C GLU A 25 -12.225 -7.862 -6.562 1.00 0.00 C ATOM 409 O GLU A 25 -13.098 -8.558 -6.053 1.00 0.00 O ATOM 410 CB GLU A 25 -12.838 -5.518 -7.169 1.00 0.00 C ATOM 411 CG GLU A 25 -14.260 -6.022 -7.295 1.00 0.00 C ATOM 412 CD GLU A 25 -14.400 -6.883 -8.545 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.381 -8.095 -8.411 1.00 0.00 O ATOM 414 OE2 GLU A 25 -14.523 -6.317 -9.620 1.00 0.00 O ATOM 0 H GLU A 25 -10.421 -5.420 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.491 -6.259 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.836 -4.482 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.345 -5.538 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.528 -6.602 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.950 -5.180 -7.345 1.00 0.00 H new ATOM 421 N ALA A 26 -11.356 -8.333 -7.454 1.00 0.00 N ATOM 422 CA ALA A 26 -11.406 -9.727 -7.880 1.00 0.00 C ATOM 423 C ALA A 26 -11.174 -10.648 -6.688 1.00 0.00 C ATOM 424 O ALA A 26 -11.861 -11.656 -6.527 1.00 0.00 O ATOM 425 CB ALA A 26 -10.339 -9.991 -8.942 1.00 0.00 C ATOM 0 H ALA A 26 -10.619 -7.778 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.391 -9.926 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.385 -11.035 -9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.516 -9.348 -9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.353 -9.779 -8.528 1.00 0.00 H new ATOM 431 N ALA A 27 -10.206 -10.294 -5.848 1.00 0.00 N ATOM 432 CA ALA A 27 -9.908 -11.104 -4.669 1.00 0.00 C ATOM 433 C ALA A 27 -11.047 -11.012 -3.662 1.00 0.00 C ATOM 434 O ALA A 27 -11.121 -11.802 -2.721 1.00 0.00 O ATOM 435 CB ALA A 27 -8.617 -10.627 -4.008 1.00 0.00 C ATOM 0 H ALA A 27 -9.622 -9.465 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.789 -12.139 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.409 -11.240 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.792 -10.714 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.727 -9.586 -3.705 1.00 0.00 H new ATOM 441 N ASP A 28 -11.932 -10.042 -3.869 1.00 0.00 N ATOM 442 CA ASP A 28 -13.069 -9.851 -2.975 1.00 0.00 C ATOM 443 C ASP A 28 -12.652 -9.098 -1.709 1.00 0.00 C ATOM 444 O ASP A 28 -13.029 -9.487 -0.604 1.00 0.00 O ATOM 445 CB ASP A 28 -13.670 -11.210 -2.587 1.00 0.00 C ATOM 446 CG ASP A 28 -15.175 -11.082 -2.374 1.00 0.00 C ATOM 447 OD1 ASP A 28 -15.878 -10.885 -3.350 1.00 0.00 O ATOM 448 OD2 ASP A 28 -15.602 -11.187 -1.235 1.00 0.00 O ATOM 0 H ASP A 28 -11.885 -9.380 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.816 -9.258 -3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.468 -11.941 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.197 -11.578 -1.676 1.00 0.00 H new ATOM 453 N LEU A 29 -11.885 -8.011 -1.866 1.00 0.00 N ATOM 454 CA LEU A 29 -11.460 -7.226 -0.706 1.00 0.00 C ATOM 455 C LEU A 29 -12.327 -5.983 -0.578 1.00 0.00 C ATOM 456 O LEU A 29 -12.335 -5.325 0.455 1.00 0.00 O ATOM 457 CB LEU A 29 -9.980 -6.814 -0.805 1.00 0.00 C ATOM 458 CG LEU A 29 -9.069 -7.979 -0.366 1.00 0.00 C ATOM 459 CD1 LEU A 29 -9.073 -8.135 1.154 1.00 0.00 C ATOM 460 CD2 LEU A 29 -9.554 -9.291 -0.979 1.00 0.00 C ATOM 0 H LEU A 29 -11.553 -7.663 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.575 -7.853 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.744 -6.525 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.795 -5.942 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.060 -7.751 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.423 -8.963 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.711 -7.216 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.088 -8.337 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.902 -10.104 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.573 -9.492 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.534 -9.214 -2.066 1.00 0.00 H new ATOM 472 N LYS A 30 -13.064 -5.674 -1.630 1.00 0.00 N ATOM 473 CA LYS A 30 -13.941 -4.515 -1.617 1.00 0.00 C ATOM 474 C LYS A 30 -14.772 -4.492 -0.333 1.00 0.00 C ATOM 475 O LYS A 30 -15.151 -3.427 0.154 1.00 0.00 O ATOM 476 CB LYS A 30 -14.866 -4.508 -2.859 1.00 0.00 C ATOM 477 CG LYS A 30 -15.317 -5.932 -3.266 1.00 0.00 C ATOM 478 CD LYS A 30 -16.621 -6.289 -2.544 1.00 0.00 C ATOM 479 CE LYS A 30 -16.789 -7.810 -2.473 1.00 0.00 C ATOM 480 NZ LYS A 30 -16.541 -8.405 -3.816 1.00 0.00 N ATOM 0 H LYS A 30 -13.074 -6.206 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.322 -3.619 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.744 -3.897 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.344 -4.042 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.462 -5.983 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.541 -6.655 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.614 -5.869 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.468 -5.847 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.094 -8.229 -1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.795 -8.059 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.689 -9.434 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.198 -7.989 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.562 -8.208 -4.108 1.00 0.00 H new ATOM 494 N GLU A 31 -15.049 -5.677 0.208 1.00 0.00 N ATOM 495 CA GLU A 31 -15.832 -5.797 1.434 1.00 0.00 C ATOM 496 C GLU A 31 -14.948 -5.630 2.662 1.00 0.00 C ATOM 497 O GLU A 31 -15.434 -5.365 3.754 1.00 0.00 O ATOM 498 CB GLU A 31 -16.529 -7.154 1.481 1.00 0.00 C ATOM 499 CG GLU A 31 -15.491 -8.253 1.722 1.00 0.00 C ATOM 500 CD GLU A 31 -16.073 -9.615 1.350 1.00 0.00 C ATOM 501 OE1 GLU A 31 -16.953 -9.654 0.506 1.00 0.00 O ATOM 502 OE2 GLU A 31 -15.629 -10.599 1.915 1.00 0.00 O ATOM 0 H GLU A 31 -14.742 -6.567 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.582 -5.006 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.276 -7.164 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -17.057 -7.336 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.598 -8.056 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.186 -8.253 2.768 1.00 0.00 H new ATOM 509 N LEU A 32 -13.651 -5.802 2.473 1.00 0.00 N ATOM 510 CA LEU A 32 -12.699 -5.673 3.557 1.00 0.00 C ATOM 511 C LEU A 32 -12.475 -4.197 3.877 1.00 0.00 C ATOM 512 O LEU A 32 -12.356 -3.811 5.036 1.00 0.00 O ATOM 513 CB LEU A 32 -11.391 -6.349 3.139 1.00 0.00 C ATOM 514 CG LEU A 32 -10.335 -6.140 4.223 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.540 -7.416 4.492 1.00 0.00 C ATOM 516 CD2 LEU A 32 -9.330 -5.077 3.797 1.00 0.00 C ATOM 0 H LEU A 32 -13.233 -6.033 1.572 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.080 -6.156 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.556 -7.414 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.042 -5.935 2.193 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.875 -5.837 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.799 -7.226 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.217 -8.204 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.035 -7.730 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.587 -4.943 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.835 -5.392 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.849 -4.134 3.624 1.00 0.00 H new ATOM 528 N LEU A 33 -12.434 -3.381 2.832 1.00 0.00 N ATOM 529 CA LEU A 33 -12.241 -1.932 2.985 1.00 0.00 C ATOM 530 C LEU A 33 -13.446 -1.278 3.659 1.00 0.00 C ATOM 531 O LEU A 33 -13.402 -0.104 4.030 1.00 0.00 O ATOM 532 CB LEU A 33 -12.050 -1.255 1.620 1.00 0.00 C ATOM 533 CG LEU A 33 -11.450 -2.233 0.610 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.123 -1.508 -0.699 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.173 -2.830 1.182 1.00 0.00 C ATOM 0 H LEU A 33 -12.531 -3.691 1.865 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.352 -1.801 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.009 -0.888 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.397 -0.389 1.727 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.174 -3.023 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.696 -2.215 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.035 -1.080 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.405 -0.712 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.744 -3.528 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.458 -2.033 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.401 -3.358 2.108 1.00 0.00 H new ATOM 547 N THR A 34 -14.526 -2.033 3.798 1.00 0.00 N ATOM 548 CA THR A 34 -15.741 -1.504 4.410 1.00 0.00 C ATOM 549 C THR A 34 -15.565 -1.396 5.913 1.00 0.00 C ATOM 550 O THR A 34 -16.196 -0.574 6.578 1.00 0.00 O ATOM 551 CB THR A 34 -16.925 -2.421 4.082 1.00 0.00 C ATOM 552 OG1 THR A 34 -18.134 -1.681 4.175 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.969 -3.595 5.061 1.00 0.00 C ATOM 0 H THR A 34 -14.589 -3.006 3.499 1.00 0.00 H new ATOM 0 HA THR A 34 -15.938 -0.509 4.010 1.00 0.00 H new ATOM 0 HB THR A 34 -16.807 -2.808 3.070 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.892 -2.265 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.814 -4.240 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.044 -4.166 4.986 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.081 -3.217 6.077 1.00 0.00 H new ATOM 561 N GLN A 35 -14.698 -2.248 6.437 1.00 0.00 N ATOM 562 CA GLN A 35 -14.422 -2.267 7.865 1.00 0.00 C ATOM 563 C GLN A 35 -14.044 -0.862 8.337 1.00 0.00 C ATOM 564 O GLN A 35 -13.644 -0.030 7.527 1.00 0.00 O ATOM 565 CB GLN A 35 -13.270 -3.245 8.134 1.00 0.00 C ATOM 566 CG GLN A 35 -13.833 -4.636 8.440 1.00 0.00 C ATOM 567 CD GLN A 35 -14.912 -5.005 7.426 1.00 0.00 C ATOM 568 OE1 GLN A 35 -16.097 -4.783 7.671 1.00 0.00 O ATOM 569 NE2 GLN A 35 -14.568 -5.560 6.295 1.00 0.00 N ATOM 0 H GLN A 35 -14.174 -2.935 5.895 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.308 -2.590 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.610 -3.292 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.670 -2.893 8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.031 -5.374 8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.249 -4.654 9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.585 -5.743 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.283 -5.811 5.612 1.00 0.00 H new ATOM 578 N PRO A 36 -14.158 -0.587 9.625 1.00 0.00 N ATOM 579 CA PRO A 36 -13.800 0.735 10.244 1.00 0.00 C ATOM 580 C PRO A 36 -12.624 1.426 9.572 1.00 0.00 C ATOM 581 O PRO A 36 -12.407 2.628 9.729 1.00 0.00 O ATOM 582 CB PRO A 36 -13.422 0.346 11.669 1.00 0.00 C ATOM 583 CG PRO A 36 -14.223 -0.875 11.986 1.00 0.00 C ATOM 584 CD PRO A 36 -14.673 -1.501 10.654 1.00 0.00 C ATOM 0 HA PRO A 36 -14.620 1.448 10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.354 0.144 11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.647 1.153 12.367 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.627 -1.585 12.560 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.087 -0.617 12.598 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.268 -2.506 10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.758 -1.586 10.602 1.00 0.00 H new ATOM 592 N GLY A 37 -11.911 0.648 8.814 1.00 0.00 N ATOM 593 CA GLY A 37 -10.780 1.095 8.067 1.00 0.00 C ATOM 594 C GLY A 37 -9.701 1.735 8.920 1.00 0.00 C ATOM 595 O GLY A 37 -9.565 2.951 8.970 1.00 0.00 O ATOM 0 H GLY A 37 -12.109 -0.346 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.352 0.248 7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.112 1.813 7.317 1.00 0.00 H new ATOM 599 N ASP A 38 -8.884 0.907 9.537 1.00 0.00 N ATOM 600 CA ASP A 38 -7.760 1.440 10.283 1.00 0.00 C ATOM 601 C ASP A 38 -6.568 0.533 10.051 1.00 0.00 C ATOM 602 O ASP A 38 -6.387 -0.475 10.734 1.00 0.00 O ATOM 603 CB ASP A 38 -8.118 1.467 11.762 1.00 0.00 C ATOM 604 CG ASP A 38 -9.367 0.622 11.981 1.00 0.00 C ATOM 605 OD1 ASP A 38 -10.269 1.095 12.650 1.00 0.00 O ATOM 606 OD2 ASP A 38 -9.408 -0.481 11.460 1.00 0.00 O ATOM 0 H ASP A 38 -8.970 -0.109 9.540 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.521 2.453 9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.291 1.080 12.357 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.294 2.492 12.089 1.00 0.00 H new ATOM 611 N TRP A 39 -5.736 0.925 9.105 1.00 0.00 N ATOM 612 CA TRP A 39 -4.539 0.172 8.795 1.00 0.00 C ATOM 613 C TRP A 39 -3.591 0.985 7.910 1.00 0.00 C ATOM 614 O TRP A 39 -3.957 2.058 7.410 1.00 0.00 O ATOM 615 CB TRP A 39 -4.894 -1.156 8.137 1.00 0.00 C ATOM 616 CG TRP A 39 -6.301 -1.157 7.642 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.366 -1.617 8.338 1.00 0.00 C ATOM 618 CD2 TRP A 39 -6.809 -0.734 6.347 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.503 -1.460 7.569 1.00 0.00 N ATOM 620 CE2 TRP A 39 -8.211 -0.927 6.329 1.00 0.00 C ATOM 621 CE3 TRP A 39 -6.198 -0.195 5.203 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -8.978 -0.593 5.216 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -6.968 0.134 4.078 1.00 0.00 C ATOM 624 CH2 TRP A 39 -8.356 -0.064 4.084 1.00 0.00 C ATOM 0 H TRP A 39 -5.869 1.762 8.538 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.021 -0.039 9.731 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.214 -1.346 7.307 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.757 -1.967 8.853 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.333 -2.038 9.332 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.443 -1.707 7.879 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -5.130 -0.033 5.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.048 -0.742 5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -6.488 0.543 3.201 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -8.943 0.192 3.214 1.00 0.00 H new ATOM 635 N THR A 40 -2.393 0.439 7.682 1.00 0.00 N ATOM 636 CA THR A 40 -1.419 1.091 6.804 1.00 0.00 C ATOM 637 C THR A 40 -1.203 0.239 5.551 1.00 0.00 C ATOM 638 O THR A 40 -1.008 -0.973 5.638 1.00 0.00 O ATOM 639 CB THR A 40 -0.080 1.306 7.516 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.311 1.602 8.887 1.00 0.00 O ATOM 641 CG2 THR A 40 0.665 2.469 6.856 1.00 0.00 C ATOM 0 H THR A 40 -2.077 -0.442 8.088 1.00 0.00 H new ATOM 0 HA THR A 40 -1.816 2.067 6.526 1.00 0.00 H new ATOM 0 HB THR A 40 0.522 0.400 7.441 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.305 1.081 9.443 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.618 2.624 7.361 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.844 2.237 5.806 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.064 3.375 6.930 1.00 0.00 H new ATOM 649 N LEU A 41 -1.252 0.881 4.385 1.00 0.00 N ATOM 650 CA LEU A 41 -1.078 0.175 3.114 1.00 0.00 C ATOM 651 C LEU A 41 -0.135 0.940 2.195 1.00 0.00 C ATOM 652 O LEU A 41 -0.105 2.170 2.216 1.00 0.00 O ATOM 653 CB LEU A 41 -2.439 -0.003 2.424 1.00 0.00 C ATOM 654 CG LEU A 41 -2.762 1.218 1.537 1.00 0.00 C ATOM 655 CD1 LEU A 41 -2.130 1.081 0.142 1.00 0.00 C ATOM 656 CD2 LEU A 41 -4.270 1.321 1.377 1.00 0.00 C ATOM 0 H LEU A 41 -1.410 1.884 4.293 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.644 -0.803 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.429 -0.908 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.219 -0.131 3.174 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.355 2.108 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.377 1.958 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.047 1.001 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.517 0.187 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.512 2.181 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.649 0.413 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.732 1.443 2.356 1.00 0.00 H new ATOM 668 N PHE A 42 0.618 0.209 1.378 1.00 0.00 N ATOM 669 CA PHE A 42 1.541 0.841 0.443 1.00 0.00 C ATOM 670 C PHE A 42 1.038 0.676 -0.982 1.00 0.00 C ATOM 671 O PHE A 42 1.002 -0.437 -1.504 1.00 0.00 O ATOM 672 CB PHE A 42 2.932 0.225 0.594 1.00 0.00 C ATOM 673 CG PHE A 42 3.643 0.949 1.708 1.00 0.00 C ATOM 674 CD1 PHE A 42 3.106 0.930 3.000 1.00 0.00 C ATOM 675 CD2 PHE A 42 4.815 1.664 1.446 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.741 1.624 4.033 1.00 0.00 C ATOM 677 CE2 PHE A 42 5.452 2.355 2.484 1.00 0.00 C ATOM 678 CZ PHE A 42 4.912 2.340 3.775 1.00 0.00 C ATOM 0 H PHE A 42 0.608 -0.810 1.344 1.00 0.00 H new ATOM 0 HA PHE A 42 1.602 1.906 0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.855 -0.839 0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.492 0.315 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.199 0.378 3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.227 1.683 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.327 1.607 5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.363 2.901 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.401 2.882 4.571 1.00 0.00 H new ATOM 688 N VAL A 43 0.640 1.788 -1.608 1.00 0.00 N ATOM 689 CA VAL A 43 0.130 1.726 -2.975 1.00 0.00 C ATOM 690 C VAL A 43 1.113 2.361 -3.972 1.00 0.00 C ATOM 691 O VAL A 43 1.244 3.583 -4.018 1.00 0.00 O ATOM 692 CB VAL A 43 -1.236 2.420 -3.085 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.201 3.829 -2.496 1.00 0.00 C ATOM 694 CG2 VAL A 43 -1.625 2.495 -4.559 1.00 0.00 C ATOM 0 H VAL A 43 0.661 2.722 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 43 0.015 0.672 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.967 1.842 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.185 4.288 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.926 3.776 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.467 4.430 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.594 2.986 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.874 3.065 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.686 1.488 -4.971 1.00 0.00 H new ATOM 704 N PRO A 44 1.810 1.575 -4.774 1.00 0.00 N ATOM 705 CA PRO A 44 2.776 2.121 -5.769 1.00 0.00 C ATOM 706 C PRO A 44 2.073 2.656 -7.010 1.00 0.00 C ATOM 707 O PRO A 44 0.997 2.180 -7.375 1.00 0.00 O ATOM 708 CB PRO A 44 3.649 0.919 -6.122 1.00 0.00 C ATOM 709 CG PRO A 44 2.779 -0.273 -5.919 1.00 0.00 C ATOM 710 CD PRO A 44 1.774 0.098 -4.827 1.00 0.00 C ATOM 0 HA PRO A 44 3.341 2.964 -5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.001 0.978 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.532 0.874 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.266 -0.540 -6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.371 -1.139 -5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.775 -0.266 -5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.051 -0.340 -3.868 1.00 0.00 H new ATOM 718 N THR A 45 2.679 3.647 -7.656 1.00 0.00 N ATOM 719 CA THR A 45 2.073 4.228 -8.854 1.00 0.00 C ATOM 720 C THR A 45 2.475 3.450 -10.104 1.00 0.00 C ATOM 721 O THR A 45 3.399 2.641 -10.074 1.00 0.00 O ATOM 722 CB THR A 45 2.498 5.687 -8.994 1.00 0.00 C ATOM 723 OG1 THR A 45 3.815 5.847 -8.483 1.00 0.00 O ATOM 724 CG2 THR A 45 1.533 6.565 -8.204 1.00 0.00 C ATOM 0 H THR A 45 3.570 4.059 -7.380 1.00 0.00 H new ATOM 0 HA THR A 45 0.989 4.172 -8.750 1.00 0.00 H new ATOM 0 HB THR A 45 2.482 5.977 -10.044 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.090 6.783 -8.574 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.830 7.609 -8.299 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.523 6.438 -8.594 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.555 6.276 -7.153 1.00 0.00 H new ATOM 732 N ASN A 46 1.774 3.702 -11.205 1.00 0.00 N ATOM 733 CA ASN A 46 2.068 3.018 -12.461 1.00 0.00 C ATOM 734 C ASN A 46 3.568 3.031 -12.742 1.00 0.00 C ATOM 735 O ASN A 46 4.136 2.031 -13.196 1.00 0.00 O ATOM 736 CB ASN A 46 1.331 3.704 -13.612 1.00 0.00 C ATOM 737 CG ASN A 46 0.843 5.080 -13.172 1.00 0.00 C ATOM 738 OD1 ASN A 46 -0.061 5.182 -12.344 1.00 0.00 O ATOM 739 ND2 ASN A 46 1.390 6.150 -13.681 1.00 0.00 N ATOM 0 H ASN A 46 1.004 4.369 -11.254 1.00 0.00 H new ATOM 0 HA ASN A 46 1.733 1.984 -12.375 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.994 3.802 -14.472 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.486 3.093 -13.929 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.068 7.074 -13.392 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.139 6.062 -14.367 1.00 0.00 H new ATOM 746 N ASP A 47 4.200 4.173 -12.480 1.00 0.00 N ATOM 747 CA ASP A 47 5.634 4.320 -12.711 1.00 0.00 C ATOM 748 C ASP A 47 6.400 3.158 -12.080 1.00 0.00 C ATOM 749 O ASP A 47 7.569 2.926 -12.390 1.00 0.00 O ATOM 750 CB ASP A 47 6.121 5.643 -12.117 1.00 0.00 C ATOM 751 CG ASP A 47 5.375 6.806 -12.763 1.00 0.00 C ATOM 752 OD1 ASP A 47 4.245 7.048 -12.373 1.00 0.00 O ATOM 753 OD2 ASP A 47 5.944 7.437 -13.640 1.00 0.00 O ATOM 0 H ASP A 47 3.744 5.006 -12.109 1.00 0.00 H new ATOM 0 HA ASP A 47 5.816 4.316 -13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.959 5.649 -11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.193 5.752 -12.279 1.00 0.00 H new ATOM 758 N ALA A 48 5.727 2.439 -11.185 1.00 0.00 N ATOM 759 CA ALA A 48 6.335 1.304 -10.495 1.00 0.00 C ATOM 760 C ALA A 48 6.130 0.008 -11.274 1.00 0.00 C ATOM 761 O ALA A 48 6.961 -0.899 -11.219 1.00 0.00 O ATOM 762 CB ALA A 48 5.701 1.145 -9.116 1.00 0.00 C ATOM 0 H ALA A 48 4.759 2.622 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 48 7.404 1.499 -10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.155 0.298 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.864 2.052 -8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.631 0.971 -9.226 1.00 0.00 H new ATOM 768 N PHE A 49 5.012 -0.075 -11.984 1.00 0.00 N ATOM 769 CA PHE A 49 4.695 -1.270 -12.757 1.00 0.00 C ATOM 770 C PHE A 49 5.607 -1.375 -13.968 1.00 0.00 C ATOM 771 O PHE A 49 5.916 -2.471 -14.434 1.00 0.00 O ATOM 772 CB PHE A 49 3.240 -1.219 -13.222 1.00 0.00 C ATOM 773 CG PHE A 49 2.466 -2.336 -12.570 1.00 0.00 C ATOM 774 CD1 PHE A 49 1.637 -2.065 -11.477 1.00 0.00 C ATOM 775 CD2 PHE A 49 2.579 -3.643 -13.058 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.921 -3.102 -10.869 1.00 0.00 C ATOM 777 CE2 PHE A 49 1.862 -4.680 -12.450 1.00 0.00 C ATOM 778 CZ PHE A 49 1.033 -4.410 -11.356 1.00 0.00 C ATOM 0 H PHE A 49 4.313 0.666 -12.041 1.00 0.00 H new ATOM 0 HA PHE A 49 4.845 -2.143 -12.121 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.798 -0.257 -12.964 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.190 -1.312 -14.307 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.549 -1.056 -11.102 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.219 -3.851 -13.903 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.282 -2.894 -10.024 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.949 -5.689 -12.826 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.480 -5.210 -10.887 1.00 0.00 H new ATOM 788 N LYS A 50 6.026 -0.225 -14.473 1.00 0.00 N ATOM 789 CA LYS A 50 6.906 -0.193 -15.640 1.00 0.00 C ATOM 790 C LYS A 50 8.148 -1.048 -15.390 1.00 0.00 C ATOM 791 O LYS A 50 8.999 -0.697 -14.572 1.00 0.00 O ATOM 792 CB LYS A 50 7.335 1.246 -15.963 1.00 0.00 C ATOM 793 CG LYS A 50 6.227 2.241 -15.597 1.00 0.00 C ATOM 794 CD LYS A 50 4.931 1.924 -16.359 1.00 0.00 C ATOM 795 CE LYS A 50 5.153 2.081 -17.869 1.00 0.00 C ATOM 796 NZ LYS A 50 5.482 0.755 -18.466 1.00 0.00 N ATOM 0 H LYS A 50 5.777 0.691 -14.101 1.00 0.00 H new ATOM 0 HA LYS A 50 6.353 -0.595 -16.489 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.245 1.490 -15.415 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.570 1.331 -17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.040 2.205 -14.524 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.552 3.255 -15.830 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.608 0.907 -16.135 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.134 2.591 -16.030 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.258 2.490 -18.338 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.962 2.787 -18.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.161 0.730 -19.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.511 0.605 -18.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.004 0.004 -17.928 1.00 0.00 H new ATOM 810 N GLY A 51 8.242 -2.170 -16.102 1.00 0.00 N ATOM 811 CA GLY A 51 9.382 -3.073 -15.954 1.00 0.00 C ATOM 812 C GLY A 51 8.910 -4.506 -15.730 1.00 0.00 C ATOM 813 O GLY A 51 9.685 -5.455 -15.857 1.00 0.00 O ATOM 0 H GLY A 51 7.547 -2.474 -16.783 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.007 -3.026 -16.846 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.999 -2.753 -15.115 1.00 0.00 H new ATOM 817 N MET A 52 7.633 -4.652 -15.394 1.00 0.00 N ATOM 818 CA MET A 52 7.059 -5.970 -15.151 1.00 0.00 C ATOM 819 C MET A 52 6.568 -6.590 -16.454 1.00 0.00 C ATOM 820 O MET A 52 5.522 -6.210 -16.980 1.00 0.00 O ATOM 821 CB MET A 52 5.892 -5.857 -14.171 1.00 0.00 C ATOM 822 CG MET A 52 6.135 -6.794 -12.990 1.00 0.00 C ATOM 823 SD MET A 52 4.762 -6.660 -11.817 1.00 0.00 S ATOM 824 CE MET A 52 5.572 -5.552 -10.639 1.00 0.00 C ATOM 0 H MET A 52 6.978 -3.878 -15.284 1.00 0.00 H new ATOM 0 HA MET A 52 7.833 -6.609 -14.726 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.794 -4.829 -13.821 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.957 -6.115 -14.669 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.228 -7.822 -13.341 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.074 -6.539 -12.498 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.817 -5.042 -10.041 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.224 -6.131 -9.984 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.164 -4.815 -11.181 1.00 0.00 H new ATOM 834 N THR A 53 7.328 -7.549 -16.967 1.00 0.00 N ATOM 835 CA THR A 53 6.959 -8.217 -18.207 1.00 0.00 C ATOM 836 C THR A 53 5.693 -9.041 -18.015 1.00 0.00 C ATOM 837 O THR A 53 5.373 -9.458 -16.902 1.00 0.00 O ATOM 838 CB THR A 53 8.097 -9.127 -18.667 1.00 0.00 C ATOM 839 OG1 THR A 53 8.117 -10.300 -17.866 1.00 0.00 O ATOM 840 CG2 THR A 53 9.423 -8.382 -18.522 1.00 0.00 C ATOM 0 H THR A 53 8.197 -7.879 -16.547 1.00 0.00 H new ATOM 0 HA THR A 53 6.772 -7.457 -18.966 1.00 0.00 H new ATOM 0 HB THR A 53 7.948 -9.407 -19.710 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.845 -10.885 -18.161 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.240 -9.026 -18.849 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.403 -7.481 -19.136 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.573 -8.107 -17.478 1.00 0.00 H new ATOM 848 N SER A 54 4.978 -9.268 -19.109 1.00 0.00 N ATOM 849 CA SER A 54 3.746 -10.040 -19.053 1.00 0.00 C ATOM 850 C SER A 54 4.001 -11.406 -18.430 1.00 0.00 C ATOM 851 O SER A 54 3.158 -11.935 -17.715 1.00 0.00 O ATOM 852 CB SER A 54 3.169 -10.218 -20.457 1.00 0.00 C ATOM 853 OG SER A 54 3.029 -8.945 -21.072 1.00 0.00 O ATOM 0 H SER A 54 5.228 -8.931 -20.039 1.00 0.00 H new ATOM 0 HA SER A 54 3.030 -9.497 -18.436 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.824 -10.853 -21.054 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.202 -10.718 -20.404 1.00 0.00 H new ATOM 0 HG SER A 54 2.661 -9.056 -21.973 1.00 0.00 H new ATOM 859 N GLU A 55 5.169 -11.973 -18.701 1.00 0.00 N ATOM 860 CA GLU A 55 5.512 -13.279 -18.155 1.00 0.00 C ATOM 861 C GLU A 55 5.845 -13.171 -16.671 1.00 0.00 C ATOM 862 O GLU A 55 5.448 -14.021 -15.875 1.00 0.00 O ATOM 863 CB GLU A 55 6.709 -13.860 -18.910 1.00 0.00 C ATOM 864 CG GLU A 55 6.562 -15.378 -19.013 1.00 0.00 C ATOM 865 CD GLU A 55 7.797 -15.973 -19.677 1.00 0.00 C ATOM 866 OE1 GLU A 55 8.884 -15.755 -19.166 1.00 0.00 O ATOM 867 OE2 GLU A 55 7.640 -16.635 -20.689 1.00 0.00 O ATOM 0 H GLU A 55 5.889 -11.554 -19.290 1.00 0.00 H new ATOM 0 HA GLU A 55 4.653 -13.939 -18.273 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.771 -13.422 -19.906 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.635 -13.608 -18.393 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.429 -15.808 -18.020 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.672 -15.628 -19.590 1.00 0.00 H new ATOM 874 N GLU A 56 6.574 -12.120 -16.309 1.00 0.00 N ATOM 875 CA GLU A 56 6.957 -11.909 -14.918 1.00 0.00 C ATOM 876 C GLU A 56 5.726 -11.873 -14.020 1.00 0.00 C ATOM 877 O GLU A 56 5.709 -12.486 -12.951 1.00 0.00 O ATOM 878 CB GLU A 56 7.728 -10.595 -14.782 1.00 0.00 C ATOM 879 CG GLU A 56 9.229 -10.877 -14.836 1.00 0.00 C ATOM 880 CD GLU A 56 9.994 -9.587 -15.115 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.636 -8.574 -14.538 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.924 -9.632 -15.903 1.00 0.00 O ATOM 0 H GLU A 56 6.909 -11.406 -16.955 1.00 0.00 H new ATOM 0 HA GLU A 56 7.593 -12.738 -14.608 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.447 -9.911 -15.583 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.472 -10.107 -13.842 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.560 -11.309 -13.891 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.442 -11.611 -15.614 1.00 0.00 H new ATOM 889 N LYS A 57 4.698 -11.151 -14.455 1.00 0.00 N ATOM 890 CA LYS A 57 3.472 -11.047 -13.674 1.00 0.00 C ATOM 891 C LYS A 57 2.661 -12.334 -13.784 1.00 0.00 C ATOM 892 O LYS A 57 1.999 -12.742 -12.830 1.00 0.00 O ATOM 893 CB LYS A 57 2.634 -9.861 -14.159 1.00 0.00 C ATOM 894 CG LYS A 57 2.286 -10.053 -15.636 1.00 0.00 C ATOM 895 CD LYS A 57 1.504 -8.834 -16.145 1.00 0.00 C ATOM 896 CE LYS A 57 2.408 -7.596 -16.172 1.00 0.00 C ATOM 897 NZ LYS A 57 2.145 -6.767 -14.963 1.00 0.00 N ATOM 0 H LYS A 57 4.689 -10.635 -15.335 1.00 0.00 H new ATOM 0 HA LYS A 57 3.741 -10.888 -12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.722 -9.780 -13.567 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.187 -8.931 -14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.197 -10.183 -16.220 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.692 -10.958 -15.765 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.118 -9.033 -17.145 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.644 -8.651 -15.501 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.455 -7.897 -16.200 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.220 -7.014 -17.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.987 -5.779 -15.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.301 -7.126 -14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.964 -6.816 -14.323 1.00 0.00 H new ATOM 911 N GLU A 58 2.717 -12.967 -14.954 1.00 0.00 N ATOM 912 CA GLU A 58 1.987 -14.200 -15.174 1.00 0.00 C ATOM 913 C GLU A 58 2.450 -15.275 -14.200 1.00 0.00 C ATOM 914 O GLU A 58 1.635 -15.987 -13.622 1.00 0.00 O ATOM 915 CB GLU A 58 2.194 -14.679 -16.610 1.00 0.00 C ATOM 916 CG GLU A 58 1.224 -15.815 -16.904 1.00 0.00 C ATOM 917 CD GLU A 58 1.495 -16.389 -18.291 1.00 0.00 C ATOM 918 OE1 GLU A 58 2.040 -17.478 -18.364 1.00 0.00 O ATOM 919 OE2 GLU A 58 1.154 -15.731 -19.261 1.00 0.00 O ATOM 0 H GLU A 58 3.258 -12.644 -15.756 1.00 0.00 H new ATOM 0 HA GLU A 58 0.927 -14.010 -15.007 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.032 -13.857 -17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.221 -15.017 -16.749 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.328 -16.597 -16.152 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.198 -15.452 -16.846 1.00 0.00 H new ATOM 926 N ILE A 59 3.760 -15.389 -14.025 1.00 0.00 N ATOM 927 CA ILE A 59 4.314 -16.387 -13.118 1.00 0.00 C ATOM 928 C ILE A 59 3.810 -16.172 -11.695 1.00 0.00 C ATOM 929 O ILE A 59 3.780 -17.105 -10.894 1.00 0.00 O ATOM 930 CB ILE A 59 5.840 -16.313 -13.145 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.343 -16.682 -14.544 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.422 -17.289 -12.120 1.00 0.00 C ATOM 933 CD1 ILE A 59 7.676 -15.979 -14.816 1.00 0.00 C ATOM 0 H ILE A 59 4.455 -14.808 -14.495 1.00 0.00 H new ATOM 0 HA ILE A 59 3.989 -17.373 -13.449 1.00 0.00 H new ATOM 0 HB ILE A 59 6.157 -15.300 -12.898 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.468 -17.762 -14.623 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.608 -16.391 -15.294 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.510 -17.234 -12.142 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.065 -17.026 -11.124 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.105 -18.303 -12.363 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.031 -16.244 -15.812 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.537 -14.900 -14.756 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.411 -16.292 -14.074 1.00 0.00 H new ATOM 945 N LEU A 60 3.413 -14.943 -11.380 1.00 0.00 N ATOM 946 CA LEU A 60 2.913 -14.648 -10.043 1.00 0.00 C ATOM 947 C LEU A 60 1.419 -14.925 -9.956 1.00 0.00 C ATOM 948 O LEU A 60 0.985 -15.768 -9.177 1.00 0.00 O ATOM 949 CB LEU A 60 3.176 -13.187 -9.672 1.00 0.00 C ATOM 950 CG LEU A 60 4.500 -13.071 -8.914 1.00 0.00 C ATOM 951 CD1 LEU A 60 5.619 -13.765 -9.695 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.845 -11.592 -8.740 1.00 0.00 C ATOM 0 H LEU A 60 3.427 -14.149 -12.020 1.00 0.00 H new ATOM 0 HA LEU A 60 3.442 -15.295 -9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.208 -12.574 -10.573 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.360 -12.807 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 60 4.400 -13.550 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.556 -13.675 -9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.373 -14.819 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.726 -13.295 -10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.788 -11.499 -8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.940 -11.123 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.054 -11.098 -8.176 1.00 0.00 H new ATOM 964 N ILE A 61 0.634 -14.206 -10.752 1.00 0.00 N ATOM 965 CA ILE A 61 -0.812 -14.388 -10.730 1.00 0.00 C ATOM 966 C ILE A 61 -1.175 -15.859 -10.909 1.00 0.00 C ATOM 967 O ILE A 61 -2.306 -16.262 -10.633 1.00 0.00 O ATOM 968 CB ILE A 61 -1.479 -13.543 -11.823 1.00 0.00 C ATOM 969 CG1 ILE A 61 -1.054 -14.043 -13.197 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.039 -12.086 -11.680 1.00 0.00 C ATOM 971 CD1 ILE A 61 -2.174 -14.873 -13.828 1.00 0.00 C ATOM 0 H ILE A 61 0.968 -13.502 -11.411 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.179 -14.056 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.561 -13.623 -11.719 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.812 -13.197 -13.841 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.150 -14.646 -13.109 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.513 -11.485 -12.456 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.335 -11.711 -10.700 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.044 -12.021 -11.781 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.857 -15.224 -14.810 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.396 -15.729 -13.191 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.068 -14.258 -13.934 1.00 0.00 H new ATOM 983 N ARG A 62 -0.212 -16.660 -11.362 1.00 0.00 N ATOM 984 CA ARG A 62 -0.458 -18.084 -11.561 1.00 0.00 C ATOM 985 C ARG A 62 -0.864 -18.740 -10.249 1.00 0.00 C ATOM 986 O ARG A 62 -1.685 -19.657 -10.229 1.00 0.00 O ATOM 987 CB ARG A 62 0.804 -18.767 -12.089 1.00 0.00 C ATOM 988 CG ARG A 62 0.423 -20.059 -12.808 1.00 0.00 C ATOM 989 CD ARG A 62 0.283 -19.782 -14.304 1.00 0.00 C ATOM 990 NE ARG A 62 1.597 -19.755 -14.936 1.00 0.00 N ATOM 991 CZ ARG A 62 1.738 -19.418 -16.214 1.00 0.00 C ATOM 992 NH1 ARG A 62 0.691 -19.093 -16.922 1.00 0.00 N ATOM 993 NH2 ARG A 62 2.923 -19.415 -16.762 1.00 0.00 N ATOM 0 H ARG A 62 0.732 -16.352 -11.595 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.265 -18.193 -12.286 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.332 -18.101 -12.771 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.484 -18.984 -11.265 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.183 -20.821 -12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.514 -20.448 -12.409 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.336 -20.551 -14.767 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.223 -18.829 -14.459 1.00 0.00 H new ATOM 0 HE ARG A 62 2.422 -19.999 -14.388 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.235 -19.098 -16.495 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.799 -18.834 -17.903 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.741 -19.671 -16.209 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.031 -19.156 -17.743 1.00 0.00 H new ATOM 1007 N ASP A 63 -0.281 -18.264 -9.154 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.588 -18.812 -7.837 1.00 0.00 C ATOM 1009 C ASP A 63 -1.531 -17.888 -7.072 1.00 0.00 C ATOM 1010 O ASP A 63 -1.226 -16.716 -6.857 1.00 0.00 O ATOM 1011 CB ASP A 63 0.699 -18.998 -7.032 1.00 0.00 C ATOM 1012 CG ASP A 63 1.158 -20.450 -7.106 1.00 0.00 C ATOM 1013 OD1 ASP A 63 2.229 -20.685 -7.643 1.00 0.00 O ATOM 1014 OD2 ASP A 63 0.434 -21.304 -6.623 1.00 0.00 O ATOM 0 H ASP A 63 0.401 -17.506 -9.151 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.075 -19.777 -7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.478 -18.342 -7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.532 -18.714 -5.993 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.676 -18.420 -6.661 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.649 -17.628 -5.917 1.00 0.00 C ATOM 1021 C LYS A 64 -2.985 -16.998 -4.697 1.00 0.00 C ATOM 1022 O LYS A 64 -3.312 -15.883 -4.295 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.825 -18.539 -5.491 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.600 -17.983 -4.272 1.00 0.00 C ATOM 1025 CD LYS A 64 -6.302 -16.660 -4.623 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.821 -16.862 -4.630 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.472 -15.695 -5.290 1.00 0.00 N ATOM 0 H LYS A 64 -2.952 -19.388 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.031 -16.826 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.511 -18.656 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.442 -19.531 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.338 -18.714 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.913 -17.825 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.032 -15.891 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.968 -16.309 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.074 -17.781 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.190 -16.969 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.503 -15.830 -5.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.240 -14.826 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.128 -15.613 -6.268 1.00 0.00 H new ATOM 1041 N ASN A 65 -2.062 -17.725 -4.097 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.384 -17.232 -2.917 1.00 0.00 C ATOM 1043 C ASN A 65 -0.441 -16.084 -3.267 1.00 0.00 C ATOM 1044 O ASN A 65 -0.261 -15.163 -2.477 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.600 -18.366 -2.266 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.405 -18.938 -1.105 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -1.664 -20.141 -1.060 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.828 -18.141 -0.161 1.00 0.00 N ATOM 0 H ASN A 65 -1.767 -18.652 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.133 -16.857 -2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.393 -19.146 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.363 -17.999 -1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.374 -18.515 0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.612 -17.145 -0.200 1.00 0.00 H new ATOM 1055 N ALA A 66 0.154 -16.149 -4.454 1.00 0.00 N ATOM 1056 CA ALA A 66 1.090 -15.117 -4.889 1.00 0.00 C ATOM 1057 C ALA A 66 0.408 -13.761 -5.039 1.00 0.00 C ATOM 1058 O ALA A 66 0.770 -12.780 -4.367 1.00 0.00 O ATOM 1059 CB ALA A 66 1.708 -15.520 -6.225 1.00 0.00 C ATOM 0 H ALA A 66 0.006 -16.900 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 66 1.862 -15.024 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.407 -14.749 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.238 -16.466 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.921 -15.633 -6.970 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.584 -13.697 -5.919 1.00 0.00 N ATOM 1066 CA LEU A 67 -1.284 -12.447 -6.118 1.00 0.00 C ATOM 1067 C LEU A 67 -1.875 -12.000 -4.794 1.00 0.00 C ATOM 1068 O LEU A 67 -1.931 -10.808 -4.510 1.00 0.00 O ATOM 1069 CB LEU A 67 -2.361 -12.565 -7.226 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.792 -12.608 -6.654 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.797 -12.526 -7.799 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -4.003 -13.921 -5.900 1.00 0.00 C ATOM 0 H LEU A 67 -0.911 -14.477 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.580 -11.690 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.271 -11.719 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.179 -13.467 -7.811 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.934 -11.768 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.810 -12.556 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.651 -11.594 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.649 -13.369 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.015 -13.950 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.860 -14.759 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.284 -13.991 -5.083 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.343 -12.958 -3.991 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.955 -12.615 -2.715 1.00 0.00 C ATOM 1086 C GLN A 68 -1.981 -11.821 -1.857 1.00 0.00 C ATOM 1087 O GLN A 68 -2.331 -10.776 -1.291 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.398 -13.870 -1.957 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.925 -14.041 -2.076 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.627 -13.120 -1.093 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.714 -11.850 -1.376 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.101 -13.563 -0.048 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.310 -13.956 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.835 -12.007 -2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.892 -14.747 -2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.112 -13.792 -0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.247 -13.815 -3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.200 -15.077 -1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.028 -14.558 0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.568 -12.935 0.607 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.754 -12.314 -1.759 1.00 0.00 N ATOM 1102 CA ASN A 69 0.244 -11.626 -0.965 1.00 0.00 C ATOM 1103 C ASN A 69 0.395 -10.200 -1.456 1.00 0.00 C ATOM 1104 O ASN A 69 0.449 -9.261 -0.663 1.00 0.00 O ATOM 1105 CB ASN A 69 1.593 -12.338 -1.060 1.00 0.00 C ATOM 1106 CG ASN A 69 1.398 -13.843 -0.979 1.00 0.00 C ATOM 1107 OD1 ASN A 69 1.992 -14.611 -1.850 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 0.681 -14.334 -0.107 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.434 -13.171 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.083 -11.626 0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.085 -12.077 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.246 -12.005 -0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.218 -13.730 0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.550 -15.345 -0.064 1.00 0.00 H new ATOM 1115 N ILE A 70 0.458 -10.036 -2.772 1.00 0.00 N ATOM 1116 CA ILE A 70 0.598 -8.697 -3.336 1.00 0.00 C ATOM 1117 C ILE A 70 -0.685 -7.892 -3.146 1.00 0.00 C ATOM 1118 O ILE A 70 -0.637 -6.702 -2.846 1.00 0.00 O ATOM 1119 CB ILE A 70 0.933 -8.772 -4.821 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.426 -9.062 -4.986 1.00 0.00 C ATOM 1121 CG2 ILE A 70 0.601 -7.428 -5.474 1.00 0.00 C ATOM 1122 CD1 ILE A 70 2.707 -9.469 -6.432 1.00 0.00 C ATOM 0 H ILE A 70 0.416 -10.792 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 70 1.412 -8.198 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 70 0.353 -9.565 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.010 -8.180 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.730 -9.858 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.837 -7.472 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.460 -7.214 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.189 -6.640 -5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.770 -9.676 -6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.133 -10.363 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.418 -8.658 -7.101 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.825 -8.545 -3.326 1.00 0.00 N ATOM 1135 CA ILE A 71 -3.109 -7.873 -3.174 1.00 0.00 C ATOM 1136 C ILE A 71 -3.124 -7.047 -1.901 1.00 0.00 C ATOM 1137 O ILE A 71 -3.493 -5.874 -1.915 1.00 0.00 O ATOM 1138 CB ILE A 71 -4.237 -8.903 -3.125 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.590 -9.335 -4.551 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.466 -8.314 -2.430 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.633 -8.394 -5.147 1.00 0.00 C ATOM 0 H ILE A 71 -1.888 -9.532 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.258 -7.214 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.906 -9.772 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.693 -9.334 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.973 -10.356 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.261 -9.059 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.205 -8.025 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.809 -7.437 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.874 -8.713 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.535 -8.416 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.236 -7.379 -5.171 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.733 -7.665 -0.795 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.725 -6.960 0.476 1.00 0.00 C ATOM 1155 C LEU A 72 -1.764 -5.780 0.462 1.00 0.00 C ATOM 1156 O LEU A 72 -1.780 -4.951 1.371 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.309 -7.919 1.560 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.346 -9.027 1.647 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.617 -10.351 1.813 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.263 -8.757 2.851 1.00 0.00 C ATOM 0 H LEU A 72 -2.423 -8.636 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.728 -6.575 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.326 -8.336 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.228 -7.400 2.515 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.957 -9.064 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.344 -11.161 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.964 -10.517 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.020 -10.326 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.011 -9.546 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.668 -8.737 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.761 -7.796 2.721 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.927 -5.716 -0.562 1.00 0.00 N ATOM 1173 CA TYR A 73 0.039 -4.634 -0.676 1.00 0.00 C ATOM 1174 C TYR A 73 0.649 -4.286 0.680 1.00 0.00 C ATOM 1175 O TYR A 73 0.715 -3.109 1.048 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.636 -3.396 -1.261 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.015 -3.663 -2.697 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -0.016 -3.862 -3.657 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.364 -3.716 -3.069 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -0.365 -4.113 -4.989 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -2.713 -3.966 -4.400 1.00 0.00 C ATOM 1182 CZ TYR A 73 -1.713 -4.165 -5.360 1.00 0.00 C ATOM 1183 OH TYR A 73 -2.057 -4.412 -6.674 1.00 0.00 O ATOM 0 H TYR A 73 -0.897 -6.396 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 73 0.839 -4.968 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.523 -3.143 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.037 -2.540 -1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.024 -3.822 -3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.135 -3.564 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.406 -4.266 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.753 -4.006 -4.687 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.019 -3.576 -7.185 1.00 0.00 H new ATOM 1193 N HIS A 74 1.091 -5.312 1.416 1.00 0.00 N ATOM 1194 CA HIS A 74 1.702 -5.098 2.727 1.00 0.00 C ATOM 1195 C HIS A 74 0.709 -4.455 3.687 1.00 0.00 C ATOM 1196 O HIS A 74 1.035 -3.485 4.371 1.00 0.00 O ATOM 1197 CB HIS A 74 2.956 -4.221 2.604 1.00 0.00 C ATOM 1198 CG HIS A 74 3.951 -4.897 1.698 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.709 -5.093 0.347 1.00 0.00 N ATOM 1200 CD2 HIS A 74 5.195 -5.429 1.936 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.782 -5.720 -0.171 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.718 -5.947 0.755 1.00 0.00 N ATOM 0 H HIS A 74 1.037 -6.289 1.127 1.00 0.00 H new ATOM 0 HA HIS A 74 1.992 -6.070 3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.691 -3.242 2.205 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.396 -4.056 3.587 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.692 -5.443 2.895 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.875 -6.005 -1.209 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.621 -6.402 0.624 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.499 -5.012 3.742 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.522 -4.490 4.639 1.00 0.00 C ATOM 1213 C LEU A 75 -1.081 -4.701 6.078 1.00 0.00 C ATOM 1214 O LEU A 75 -0.863 -5.837 6.500 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.861 -5.206 4.391 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.850 -4.937 5.534 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -3.989 -3.441 5.736 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.219 -5.517 5.188 1.00 0.00 C ATOM 0 H LEU A 75 -0.789 -5.814 3.183 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.657 -3.425 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.289 -4.867 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.692 -6.279 4.297 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.476 -5.406 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.691 -3.247 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.017 -3.016 5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.359 -2.983 4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.914 -5.321 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.591 -5.052 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.131 -6.593 5.037 1.00 0.00 H new ATOM 1230 N THR A 76 -0.974 -3.611 6.834 1.00 0.00 N ATOM 1231 CA THR A 76 -0.584 -3.706 8.236 1.00 0.00 C ATOM 1232 C THR A 76 -1.761 -3.303 9.116 1.00 0.00 C ATOM 1233 O THR A 76 -2.674 -2.646 8.630 1.00 0.00 O ATOM 1234 CB THR A 76 0.630 -2.805 8.530 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.567 -3.523 9.323 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.198 -1.542 9.286 1.00 0.00 C ATOM 0 H THR A 76 -1.150 -2.662 6.503 1.00 0.00 H new ATOM 0 HA THR A 76 -0.301 -4.736 8.453 1.00 0.00 H new ATOM 0 HB THR A 76 1.083 -2.511 7.583 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.342 -2.953 9.511 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.071 -0.920 9.484 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.517 -0.983 8.682 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.267 -1.824 10.230 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.781 -3.659 10.385 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.900 -3.304 11.299 1.00 0.00 C ATOM 1246 C PRO A 77 -2.690 -1.960 11.983 1.00 0.00 C ATOM 1247 O PRO A 77 -1.575 -1.622 12.381 1.00 0.00 O ATOM 1248 CB PRO A 77 -2.892 -4.445 12.334 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.660 -5.262 12.050 1.00 0.00 C ATOM 1250 CD PRO A 77 -0.779 -4.422 11.131 1.00 0.00 C ATOM 0 HA PRO A 77 -3.844 -3.202 10.764 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.871 -4.049 13.349 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.792 -5.055 12.248 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.135 -5.504 12.974 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.923 -6.207 11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.103 -3.775 11.690 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.162 -5.039 10.477 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.771 -1.200 12.121 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.697 0.103 12.764 1.00 0.00 C ATOM 1260 C GLY A 78 -2.807 1.049 11.972 1.00 0.00 C ATOM 1261 O GLY A 78 -1.621 0.785 11.771 1.00 0.00 O ATOM 0 H GLY A 78 -4.702 -1.463 11.798 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.697 0.527 12.852 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.307 -0.008 13.776 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.389 2.152 11.524 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.645 3.139 10.748 1.00 0.00 C ATOM 1267 C VAL A 79 -1.340 3.488 11.454 1.00 0.00 C ATOM 1268 O VAL A 79 -1.317 3.699 12.667 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.486 4.406 10.569 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.781 4.058 9.832 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.823 4.995 11.942 1.00 0.00 C ATOM 0 H VAL A 79 -4.369 2.387 11.682 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.419 2.715 9.769 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.922 5.137 9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.380 4.959 9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.542 3.639 8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.344 3.327 10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.422 5.897 11.814 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.387 4.265 12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.901 5.243 12.468 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.255 3.545 10.688 1.00 0.00 N ATOM 1282 CA PHE A 80 1.047 3.864 11.258 1.00 0.00 C ATOM 1283 C PHE A 80 1.325 5.360 11.151 1.00 0.00 C ATOM 1284 O PHE A 80 1.125 5.965 10.098 1.00 0.00 O ATOM 1285 CB PHE A 80 2.143 3.083 10.529 1.00 0.00 C ATOM 1286 CG PHE A 80 3.235 4.032 10.101 1.00 0.00 C ATOM 1287 CD1 PHE A 80 3.106 4.747 8.906 1.00 0.00 C ATOM 1288 CD2 PHE A 80 4.374 4.199 10.897 1.00 0.00 C ATOM 1289 CE1 PHE A 80 4.112 5.631 8.506 1.00 0.00 C ATOM 1290 CE2 PHE A 80 5.383 5.084 10.497 1.00 0.00 C ATOM 1291 CZ PHE A 80 5.252 5.799 9.300 1.00 0.00 C ATOM 0 H PHE A 80 -0.251 3.376 9.682 1.00 0.00 H new ATOM 0 HA PHE A 80 1.042 3.582 12.311 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.552 2.312 11.183 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.726 2.575 9.659 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.228 4.616 8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.475 3.646 11.819 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.010 6.184 7.584 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.262 5.215 11.111 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.031 6.480 8.990 1.00 0.00 H new ATOM 1301 N ILE A 81 1.786 5.947 12.252 1.00 0.00 N ATOM 1302 CA ILE A 81 2.096 7.373 12.281 1.00 0.00 C ATOM 1303 C ILE A 81 3.515 7.596 12.790 1.00 0.00 C ATOM 1304 O ILE A 81 3.931 6.987 13.775 1.00 0.00 O ATOM 1305 CB ILE A 81 1.109 8.107 13.188 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.295 7.535 12.977 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.111 9.597 12.842 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -1.310 8.369 13.759 1.00 0.00 C ATOM 0 H ILE A 81 1.953 5.460 13.132 1.00 0.00 H new ATOM 0 HA ILE A 81 2.015 7.764 11.267 1.00 0.00 H new ATOM 0 HB ILE A 81 1.403 7.976 14.229 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.545 7.540 11.916 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.330 6.497 13.308 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.407 10.122 13.488 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.112 10.003 12.990 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.816 9.729 11.801 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.309 7.961 13.608 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.063 8.341 14.820 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.282 9.400 13.407 1.00 0.00 H new ATOM 1320 N GLY A 82 4.252 8.470 12.116 1.00 0.00 N ATOM 1321 CA GLY A 82 5.624 8.762 12.512 1.00 0.00 C ATOM 1322 C GLY A 82 5.698 9.192 13.974 1.00 0.00 C ATOM 1323 O GLY A 82 6.697 8.951 14.649 1.00 0.00 O ATOM 0 H GLY A 82 3.926 8.986 11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.245 7.880 12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.028 9.551 11.878 1.00 0.00 H new ATOM 1327 N LYS A 83 4.636 9.830 14.456 1.00 0.00 N ATOM 1328 CA LYS A 83 4.597 10.290 15.834 1.00 0.00 C ATOM 1329 C LYS A 83 4.720 9.117 16.801 1.00 0.00 C ATOM 1330 O LYS A 83 5.246 9.261 17.904 1.00 0.00 O ATOM 1331 CB LYS A 83 3.287 11.035 16.089 1.00 0.00 C ATOM 1332 CG LYS A 83 3.141 11.303 17.584 1.00 0.00 C ATOM 1333 CD LYS A 83 2.449 12.650 17.800 1.00 0.00 C ATOM 1334 CE LYS A 83 1.124 12.673 17.035 1.00 0.00 C ATOM 1335 NZ LYS A 83 0.125 13.473 17.799 1.00 0.00 N ATOM 0 H LYS A 83 3.797 10.038 13.914 1.00 0.00 H new ATOM 0 HA LYS A 83 5.439 10.962 16.000 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.277 11.975 15.537 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.444 10.445 15.730 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.562 10.506 18.051 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.121 11.306 18.060 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.270 12.812 18.863 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.093 13.460 17.458 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.271 13.104 16.045 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.758 11.657 16.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.776 13.490 17.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.022 13.043 18.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.475 14.445 17.916 1.00 0.00 H new ATOM 1349 N GLY A 84 4.230 7.957 16.379 1.00 0.00 N ATOM 1350 CA GLY A 84 4.287 6.765 17.216 1.00 0.00 C ATOM 1351 C GLY A 84 5.722 6.451 17.623 1.00 0.00 C ATOM 1352 O GLY A 84 5.977 6.030 18.753 1.00 0.00 O ATOM 0 H GLY A 84 3.792 7.817 15.469 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.677 6.912 18.107 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.864 5.917 16.677 1.00 0.00 H new ATOM 1356 N PHE A 85 6.655 6.659 16.695 1.00 0.00 N ATOM 1357 CA PHE A 85 8.067 6.397 16.960 1.00 0.00 C ATOM 1358 C PHE A 85 8.890 7.660 16.757 1.00 0.00 C ATOM 1359 O PHE A 85 8.373 8.683 16.309 1.00 0.00 O ATOM 1360 CB PHE A 85 8.578 5.300 16.029 1.00 0.00 C ATOM 1361 CG PHE A 85 8.872 4.059 16.835 1.00 0.00 C ATOM 1362 CD1 PHE A 85 8.056 2.927 16.703 1.00 0.00 C ATOM 1363 CD2 PHE A 85 9.960 4.038 17.715 1.00 0.00 C ATOM 1364 CE1 PHE A 85 8.328 1.778 17.453 1.00 0.00 C ATOM 1365 CE2 PHE A 85 10.232 2.888 18.465 1.00 0.00 C ATOM 1366 CZ PHE A 85 9.416 1.758 18.333 1.00 0.00 C ATOM 0 H PHE A 85 6.459 7.007 15.756 1.00 0.00 H new ATOM 0 HA PHE A 85 8.169 6.071 17.995 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.834 5.082 15.262 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.478 5.635 15.514 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.218 2.942 16.022 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.590 4.909 17.815 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.698 0.906 17.353 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.071 2.872 19.145 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.626 0.870 18.911 1.00 0.00 H new ATOM 1376 N GLU A 86 10.172 7.585 17.095 1.00 0.00 N ATOM 1377 CA GLU A 86 11.052 8.735 16.948 1.00 0.00 C ATOM 1378 C GLU A 86 11.728 8.737 15.573 1.00 0.00 C ATOM 1379 O GLU A 86 12.050 7.679 15.037 1.00 0.00 O ATOM 1380 CB GLU A 86 12.103 8.724 18.062 1.00 0.00 C ATOM 1381 CG GLU A 86 13.357 7.981 17.598 1.00 0.00 C ATOM 1382 CD GLU A 86 14.203 7.593 18.805 1.00 0.00 C ATOM 1383 OE1 GLU A 86 14.354 6.405 19.039 1.00 0.00 O ATOM 1384 OE2 GLU A 86 14.683 8.488 19.480 1.00 0.00 O ATOM 0 H GLU A 86 10.621 6.749 17.469 1.00 0.00 H new ATOM 0 HA GLU A 86 10.455 9.644 17.027 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.359 9.746 18.340 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.695 8.244 18.952 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.076 7.089 17.037 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.936 8.612 16.924 1.00 0.00 H new ATOM 1391 N PRO A 87 11.950 9.899 14.994 1.00 0.00 N ATOM 1392 CA PRO A 87 12.605 10.012 13.659 1.00 0.00 C ATOM 1393 C PRO A 87 14.090 9.683 13.727 1.00 0.00 C ATOM 1394 O PRO A 87 14.711 9.792 14.785 1.00 0.00 O ATOM 1395 CB PRO A 87 12.403 11.480 13.278 1.00 0.00 C ATOM 1396 CG PRO A 87 12.273 12.200 14.577 1.00 0.00 C ATOM 1397 CD PRO A 87 11.607 11.227 15.540 1.00 0.00 C ATOM 0 HA PRO A 87 12.182 9.314 12.937 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.246 11.858 12.700 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.512 11.610 12.664 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.250 12.509 14.950 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.675 13.104 14.462 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.982 11.351 16.556 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.528 11.377 15.578 1.00 0.00 H new ATOM 1405 N GLY A 88 14.654 9.287 12.594 1.00 0.00 N ATOM 1406 CA GLY A 88 16.069 8.953 12.543 1.00 0.00 C ATOM 1407 C GLY A 88 16.282 7.450 12.658 1.00 0.00 C ATOM 1408 O GLY A 88 17.199 6.900 12.047 1.00 0.00 O ATOM 0 H GLY A 88 14.159 9.190 11.707 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.497 9.314 11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.595 9.461 13.351 1.00 0.00 H new ATOM 1412 N VAL A 89 15.437 6.786 13.446 1.00 0.00 N ATOM 1413 CA VAL A 89 15.562 5.346 13.625 1.00 0.00 C ATOM 1414 C VAL A 89 14.519 4.603 12.796 1.00 0.00 C ATOM 1415 O VAL A 89 13.413 5.099 12.580 1.00 0.00 O ATOM 1416 CB VAL A 89 15.396 4.993 15.100 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.975 6.118 15.958 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.911 4.814 15.425 1.00 0.00 C ATOM 0 H VAL A 89 14.670 7.217 13.962 1.00 0.00 H new ATOM 0 HA VAL A 89 16.552 5.041 13.286 1.00 0.00 H new ATOM 0 HB VAL A 89 15.924 4.063 15.311 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.858 5.868 17.013 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.034 6.242 15.730 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.447 7.047 15.744 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.797 4.562 16.479 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.378 5.741 15.214 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.499 4.011 14.814 1.00 0.00 H new ATOM 1428 N THR A 90 14.879 3.409 12.335 1.00 0.00 N ATOM 1429 CA THR A 90 13.965 2.604 11.534 1.00 0.00 C ATOM 1430 C THR A 90 13.010 1.831 12.438 1.00 0.00 C ATOM 1431 O THR A 90 13.388 1.396 13.526 1.00 0.00 O ATOM 1432 CB THR A 90 14.749 1.621 10.660 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.136 1.914 10.746 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.287 1.742 9.208 1.00 0.00 C ATOM 0 H THR A 90 15.790 2.981 12.501 1.00 0.00 H new ATOM 0 HA THR A 90 13.390 3.273 10.893 1.00 0.00 H new ATOM 0 HB THR A 90 14.571 0.604 11.009 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.639 1.284 10.188 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.847 1.041 8.588 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.223 1.513 9.144 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.461 2.758 8.854 1.00 0.00 H new ATOM 1442 N ASN A 91 11.774 1.665 11.977 1.00 0.00 N ATOM 1443 CA ASN A 91 10.764 0.943 12.747 1.00 0.00 C ATOM 1444 C ASN A 91 10.317 -0.307 11.995 1.00 0.00 C ATOM 1445 O ASN A 91 9.882 -0.226 10.848 1.00 0.00 O ATOM 1446 CB ASN A 91 9.559 1.850 12.999 1.00 0.00 C ATOM 1447 CG ASN A 91 10.031 3.262 13.332 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.668 4.216 12.644 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.822 3.453 14.352 1.00 0.00 N ATOM 0 H ASN A 91 11.448 2.019 11.078 1.00 0.00 H new ATOM 0 HA ASN A 91 11.199 0.644 13.701 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.918 1.870 12.118 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.961 1.454 13.820 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.141 4.394 14.581 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.121 2.661 14.921 1.00 0.00 H new ATOM 1456 N ILE A 92 10.426 -1.458 12.651 1.00 0.00 N ATOM 1457 CA ILE A 92 10.030 -2.724 12.040 1.00 0.00 C ATOM 1458 C ILE A 92 8.590 -3.056 12.410 1.00 0.00 C ATOM 1459 O ILE A 92 8.286 -3.305 13.576 1.00 0.00 O ATOM 1460 CB ILE A 92 10.950 -3.849 12.523 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.331 -3.277 12.871 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.088 -4.910 11.428 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.891 -2.471 11.691 1.00 0.00 C ATOM 0 H ILE A 92 10.784 -1.541 13.603 1.00 0.00 H new ATOM 0 HA ILE A 92 10.111 -2.629 10.957 1.00 0.00 H new ATOM 0 HB ILE A 92 10.519 -4.308 13.413 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.256 -2.639 13.752 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.014 -4.088 13.122 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.743 -5.709 11.776 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.106 -5.322 11.195 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.513 -4.456 10.533 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.871 -2.073 11.955 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.986 -3.119 10.820 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.215 -1.648 11.459 1.00 0.00 H new ATOM 1475 N LEU A 93 7.710 -3.048 11.411 1.00 0.00 N ATOM 1476 CA LEU A 93 6.299 -3.341 11.645 1.00 0.00 C ATOM 1477 C LEU A 93 5.859 -4.544 10.819 1.00 0.00 C ATOM 1478 O LEU A 93 5.981 -4.551 9.593 1.00 0.00 O ATOM 1479 CB LEU A 93 5.446 -2.119 11.278 1.00 0.00 C ATOM 1480 CG LEU A 93 5.667 -0.986 12.294 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.833 -0.099 11.849 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.398 -0.138 12.382 1.00 0.00 C ATOM 0 H LEU A 93 7.947 -2.844 10.440 1.00 0.00 H new ATOM 0 HA LEU A 93 6.162 -3.574 12.701 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.705 -1.774 10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.392 -2.396 11.257 1.00 0.00 H new ATOM 0 HG LEU A 93 5.898 -1.419 13.267 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.980 0.700 12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.741 -0.699 11.780 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.609 0.334 10.874 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.548 0.667 13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.175 0.286 11.403 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.565 -0.762 12.705 1.00 0.00 H new ATOM 1494 N LYS A 94 5.348 -5.561 11.505 1.00 0.00 N ATOM 1495 CA LYS A 94 4.887 -6.770 10.837 1.00 0.00 C ATOM 1496 C LYS A 94 3.544 -6.522 10.172 1.00 0.00 C ATOM 1497 O LYS A 94 2.579 -6.134 10.829 1.00 0.00 O ATOM 1498 CB LYS A 94 4.759 -7.906 11.847 1.00 0.00 C ATOM 1499 CG LYS A 94 5.707 -9.036 11.447 1.00 0.00 C ATOM 1500 CD LYS A 94 5.565 -10.200 12.429 1.00 0.00 C ATOM 1501 CE LYS A 94 6.903 -10.932 12.545 1.00 0.00 C ATOM 1502 NZ LYS A 94 6.679 -12.282 13.133 1.00 0.00 N ATOM 0 H LYS A 94 5.243 -5.571 12.520 1.00 0.00 H new ATOM 0 HA LYS A 94 5.614 -7.048 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.000 -7.549 12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.732 -8.269 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.481 -9.372 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.736 -8.676 11.441 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.254 -9.830 13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.791 -10.887 12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.366 -11.023 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.590 -10.361 13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.588 -12.781 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.254 -12.183 14.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.038 -12.826 12.520 1.00 0.00 H new ATOM 1516 N THR A 95 3.484 -6.737 8.864 1.00 0.00 N ATOM 1517 CA THR A 95 2.246 -6.516 8.137 1.00 0.00 C ATOM 1518 C THR A 95 1.430 -7.798 8.041 1.00 0.00 C ATOM 1519 O THR A 95 1.961 -8.901 8.166 1.00 0.00 O ATOM 1520 CB THR A 95 2.538 -5.985 6.733 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.710 -7.079 5.842 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.809 -5.139 6.756 1.00 0.00 C ATOM 0 H THR A 95 4.266 -7.059 8.294 1.00 0.00 H new ATOM 0 HA THR A 95 1.665 -5.776 8.687 1.00 0.00 H new ATOM 0 HB THR A 95 1.704 -5.369 6.398 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.481 -7.614 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.014 -4.763 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.675 -4.300 7.439 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.647 -5.750 7.092 1.00 0.00 H new ATOM 1530 N THR A 96 0.131 -7.638 7.821 1.00 0.00 N ATOM 1531 CA THR A 96 -0.766 -8.783 7.714 1.00 0.00 C ATOM 1532 C THR A 96 -0.319 -9.716 6.587 1.00 0.00 C ATOM 1533 O THR A 96 -0.529 -10.927 6.651 1.00 0.00 O ATOM 1534 CB THR A 96 -2.214 -8.303 7.485 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.079 -9.048 8.328 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.632 -8.509 6.030 1.00 0.00 C ATOM 0 H THR A 96 -0.324 -6.731 7.714 1.00 0.00 H new ATOM 0 HA THR A 96 -0.730 -9.343 8.648 1.00 0.00 H new ATOM 0 HB THR A 96 -2.275 -7.239 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.003 -8.751 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.657 -8.163 5.893 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.968 -7.943 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.570 -9.568 5.780 1.00 0.00 H new ATOM 1544 N GLN A 97 0.291 -9.140 5.553 1.00 0.00 N ATOM 1545 CA GLN A 97 0.753 -9.917 4.413 1.00 0.00 C ATOM 1546 C GLN A 97 1.652 -11.063 4.869 1.00 0.00 C ATOM 1547 O GLN A 97 1.703 -12.112 4.227 1.00 0.00 O ATOM 1548 CB GLN A 97 1.537 -9.006 3.465 1.00 0.00 C ATOM 1549 CG GLN A 97 2.007 -9.809 2.250 1.00 0.00 C ATOM 1550 CD GLN A 97 3.469 -10.205 2.423 1.00 0.00 C ATOM 1551 OE1 GLN A 97 4.328 -9.345 2.621 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.804 -11.464 2.361 1.00 0.00 N ATOM 0 H GLN A 97 0.475 -8.139 5.484 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.114 -10.335 3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.910 -8.174 3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.394 -8.577 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.391 -10.701 2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.887 -9.217 1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.090 -12.174 2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.780 -11.738 2.477 1.00 0.00 H new ATOM 1561 N GLY A 98 2.354 -10.860 5.983 1.00 0.00 N ATOM 1562 CA GLY A 98 3.243 -11.889 6.516 1.00 0.00 C ATOM 1563 C GLY A 98 4.644 -11.335 6.749 1.00 0.00 C ATOM 1564 O GLY A 98 5.277 -11.625 7.764 1.00 0.00 O ATOM 0 H GLY A 98 2.325 -9.999 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.840 -12.273 7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.291 -12.728 5.822 1.00 0.00 H new ATOM 1568 N SER A 99 5.125 -10.538 5.801 1.00 0.00 N ATOM 1569 CA SER A 99 6.455 -9.953 5.914 1.00 0.00 C ATOM 1570 C SER A 99 6.423 -8.710 6.797 1.00 0.00 C ATOM 1571 O SER A 99 5.392 -8.382 7.382 1.00 0.00 O ATOM 1572 CB SER A 99 6.983 -9.580 4.528 1.00 0.00 C ATOM 1573 OG SER A 99 6.239 -8.478 4.025 1.00 0.00 O ATOM 0 H SER A 99 4.619 -10.284 4.953 1.00 0.00 H new ATOM 0 HA SER A 99 7.116 -10.691 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.041 -9.324 4.586 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.897 -10.431 3.852 1.00 0.00 H new ATOM 0 HG SER A 99 5.369 -8.791 3.701 1.00 0.00 H new ATOM 1579 N LYS A 100 7.560 -8.025 6.884 1.00 0.00 N ATOM 1580 CA LYS A 100 7.658 -6.818 7.696 1.00 0.00 C ATOM 1581 C LYS A 100 8.116 -5.640 6.852 1.00 0.00 C ATOM 1582 O LYS A 100 8.776 -5.816 5.826 1.00 0.00 O ATOM 1583 CB LYS A 100 8.640 -7.035 8.849 1.00 0.00 C ATOM 1584 CG LYS A 100 9.654 -8.111 8.457 1.00 0.00 C ATOM 1585 CD LYS A 100 10.763 -8.179 9.507 1.00 0.00 C ATOM 1586 CE LYS A 100 11.822 -9.190 9.066 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.885 -9.283 10.107 1.00 0.00 N ATOM 0 H LYS A 100 8.422 -8.284 6.404 1.00 0.00 H new ATOM 0 HA LYS A 100 6.670 -6.599 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.154 -6.103 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.102 -7.337 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.159 -9.078 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.079 -7.885 7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.216 -7.196 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.347 -8.469 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.365 -10.167 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.256 -8.886 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.605 -9.971 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.328 -8.351 10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.464 -9.593 11.006 1.00 0.00 H new ATOM 1601 N ILE A 101 7.754 -4.440 7.292 1.00 0.00 N ATOM 1602 CA ILE A 101 8.120 -3.227 6.577 1.00 0.00 C ATOM 1603 C ILE A 101 8.893 -2.277 7.491 1.00 0.00 C ATOM 1604 O ILE A 101 8.544 -2.098 8.660 1.00 0.00 O ATOM 1605 CB ILE A 101 6.856 -2.545 6.046 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.253 -1.384 5.131 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.019 -2.019 7.215 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.007 -0.781 4.468 1.00 0.00 C ATOM 0 H ILE A 101 7.208 -4.283 8.139 1.00 0.00 H new ATOM 0 HA ILE A 101 8.765 -3.490 5.739 1.00 0.00 H new ATOM 0 HB ILE A 101 6.265 -3.267 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.773 -0.619 5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.947 -1.735 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.121 -1.535 6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.735 -2.849 7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.604 -1.298 7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.303 0.044 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.504 -1.545 3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.328 -0.413 5.237 1.00 0.00 H new ATOM 1620 N PHE A 102 9.953 -1.680 6.946 1.00 0.00 N ATOM 1621 CA PHE A 102 10.781 -0.752 7.712 1.00 0.00 C ATOM 1622 C PHE A 102 10.367 0.686 7.430 1.00 0.00 C ATOM 1623 O PHE A 102 10.348 1.120 6.278 1.00 0.00 O ATOM 1624 CB PHE A 102 12.255 -0.938 7.346 1.00 0.00 C ATOM 1625 CG PHE A 102 12.508 -2.378 6.976 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.274 -2.684 5.845 1.00 0.00 C ATOM 1627 CD2 PHE A 102 11.979 -3.407 7.763 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.511 -4.020 5.502 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.214 -4.742 7.420 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.982 -5.049 6.289 1.00 0.00 C ATOM 0 H PHE A 102 10.256 -1.822 5.983 1.00 0.00 H new ATOM 0 HA PHE A 102 10.642 -0.962 8.773 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.518 -0.287 6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.887 -0.652 8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.682 -1.890 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.389 -3.170 8.636 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.102 -4.257 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.804 -5.536 8.026 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.166 -6.080 6.025 1.00 0.00 H new ATOM 1640 N LEU A 103 10.036 1.418 8.489 1.00 0.00 N ATOM 1641 CA LEU A 103 9.619 2.809 8.348 1.00 0.00 C ATOM 1642 C LEU A 103 10.624 3.738 9.006 1.00 0.00 C ATOM 1643 O LEU A 103 11.200 3.411 10.041 1.00 0.00 O ATOM 1644 CB LEU A 103 8.254 3.014 9.005 1.00 0.00 C ATOM 1645 CG LEU A 103 7.130 2.786 7.990 1.00 0.00 C ATOM 1646 CD1 LEU A 103 7.095 3.907 6.956 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.335 1.448 7.284 1.00 0.00 C ATOM 0 H LEU A 103 10.048 1.074 9.449 1.00 0.00 H new ATOM 0 HA LEU A 103 9.558 3.039 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.140 2.326 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.187 4.024 9.410 1.00 0.00 H new ATOM 0 HG LEU A 103 6.181 2.778 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.289 3.722 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.926 4.860 7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.046 3.941 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.533 1.290 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.294 1.454 6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.325 0.643 8.019 1.00 0.00 H new ATOM 1659 N LYS A 104 10.822 4.902 8.400 1.00 0.00 N ATOM 1660 CA LYS A 104 11.753 5.880 8.936 1.00 0.00 C ATOM 1661 C LYS A 104 11.320 7.288 8.548 1.00 0.00 C ATOM 1662 O LYS A 104 11.154 7.593 7.367 1.00 0.00 O ATOM 1663 CB LYS A 104 13.165 5.593 8.412 1.00 0.00 C ATOM 1664 CG LYS A 104 14.015 6.870 8.453 1.00 0.00 C ATOM 1665 CD LYS A 104 15.489 6.513 8.250 1.00 0.00 C ATOM 1666 CE LYS A 104 16.256 6.715 9.557 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.702 6.431 9.329 1.00 0.00 N ATOM 0 H LYS A 104 10.352 5.189 7.541 1.00 0.00 H new ATOM 0 HA LYS A 104 11.758 5.808 10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.634 4.816 9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.112 5.215 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.688 7.562 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.882 7.377 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.580 5.478 7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.919 7.136 7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.126 7.737 9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.861 6.055 10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.207 6.451 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.807 5.492 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.102 7.152 8.695 1.00 0.00 H new ATOM 1681 N GLU A 105 11.142 8.141 9.550 1.00 0.00 N ATOM 1682 CA GLU A 105 10.734 9.520 9.312 1.00 0.00 C ATOM 1683 C GLU A 105 11.865 10.479 9.663 1.00 0.00 C ATOM 1684 O GLU A 105 12.446 10.401 10.747 1.00 0.00 O ATOM 1685 CB GLU A 105 9.502 9.861 10.152 1.00 0.00 C ATOM 1686 CG GLU A 105 8.888 11.164 9.638 1.00 0.00 C ATOM 1687 CD GLU A 105 7.719 11.577 10.524 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.971 12.070 11.612 1.00 0.00 O ATOM 1689 OE2 GLU A 105 6.589 11.399 10.100 1.00 0.00 O ATOM 0 H GLU A 105 11.273 7.903 10.533 1.00 0.00 H new ATOM 0 HA GLU A 105 10.491 9.625 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.772 9.053 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.780 9.965 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.642 11.951 9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.548 11.034 8.611 1.00 0.00 H new ATOM 1696 N VAL A 106 12.177 11.380 8.738 1.00 0.00 N ATOM 1697 CA VAL A 106 13.243 12.352 8.956 1.00 0.00 C ATOM 1698 C VAL A 106 12.895 13.689 8.310 1.00 0.00 C ATOM 1699 O VAL A 106 12.269 13.732 7.251 1.00 0.00 O ATOM 1700 CB VAL A 106 14.551 11.828 8.368 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.562 12.971 8.269 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.104 10.729 9.276 1.00 0.00 C ATOM 0 H VAL A 106 11.710 11.458 7.835 1.00 0.00 H new ATOM 0 HA VAL A 106 13.357 12.501 10.030 1.00 0.00 H new ATOM 0 HB VAL A 106 14.370 11.423 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.495 12.596 7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.163 13.755 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.749 13.378 9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.038 10.350 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.287 11.136 10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.382 9.916 9.344 1.00 0.00 H new ATOM 1712 N ASN A 107 13.306 14.777 8.956 1.00 0.00 N ATOM 1713 CA ASN A 107 13.034 16.113 8.436 1.00 0.00 C ATOM 1714 C ASN A 107 11.577 16.229 8.000 1.00 0.00 C ATOM 1715 O ASN A 107 11.274 16.805 6.955 1.00 0.00 O ATOM 1716 CB ASN A 107 13.953 16.411 7.248 1.00 0.00 C ATOM 1717 CG ASN A 107 15.359 16.733 7.743 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.565 16.944 8.938 1.00 0.00 O ATOM 1719 ND2 ASN A 107 16.345 16.786 6.888 1.00 0.00 N ATOM 0 H ASN A 107 13.825 14.760 9.834 1.00 0.00 H new ATOM 0 HA ASN A 107 13.223 16.837 9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.983 15.553 6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.559 17.250 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 107 17.288 17.003 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.172 16.611 5.898 1.00 0.00 H new ATOM 1726 N ASP A 108 10.679 15.678 8.809 1.00 0.00 N ATOM 1727 CA ASP A 108 9.256 15.727 8.496 1.00 0.00 C ATOM 1728 C ASP A 108 8.984 15.083 7.143 1.00 0.00 C ATOM 1729 O ASP A 108 8.065 15.485 6.430 1.00 0.00 O ATOM 1730 CB ASP A 108 8.771 17.176 8.479 1.00 0.00 C ATOM 1731 CG ASP A 108 7.263 17.222 8.700 1.00 0.00 C ATOM 1732 OD1 ASP A 108 6.855 17.312 9.846 1.00 0.00 O ATOM 1733 OD2 ASP A 108 6.539 17.166 7.719 1.00 0.00 O ATOM 0 H ASP A 108 10.908 15.197 9.679 1.00 0.00 H new ATOM 0 HA ASP A 108 8.717 15.175 9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.279 17.748 9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 108 9.022 17.641 7.526 1.00 0.00 H new ATOM 1738 N THR A 109 9.789 14.082 6.800 1.00 0.00 N ATOM 1739 CA THR A 109 9.630 13.380 5.531 1.00 0.00 C ATOM 1740 C THR A 109 9.452 11.885 5.764 1.00 0.00 C ATOM 1741 O THR A 109 10.176 11.281 6.554 1.00 0.00 O ATOM 1742 CB THR A 109 10.853 13.598 4.642 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.185 14.980 4.620 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.528 13.118 3.228 1.00 0.00 C ATOM 0 H THR A 109 10.555 13.740 7.380 1.00 0.00 H new ATOM 0 HA THR A 109 8.744 13.780 5.038 1.00 0.00 H new ATOM 0 HB THR A 109 11.702 13.037 5.033 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.544 15.244 5.493 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.395 13.269 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.275 12.058 3.253 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.683 13.684 2.837 1.00 0.00 H new ATOM 1752 N LEU A 110 8.490 11.292 5.064 1.00 0.00 N ATOM 1753 CA LEU A 110 8.240 9.865 5.201 1.00 0.00 C ATOM 1754 C LEU A 110 9.198 9.076 4.321 1.00 0.00 C ATOM 1755 O LEU A 110 9.090 9.098 3.095 1.00 0.00 O ATOM 1756 CB LEU A 110 6.803 9.536 4.796 1.00 0.00 C ATOM 1757 CG LEU A 110 6.309 8.283 5.538 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.971 7.847 4.942 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.309 7.130 5.390 1.00 0.00 C ATOM 0 H LEU A 110 7.878 11.772 4.404 1.00 0.00 H new ATOM 0 HA LEU A 110 8.394 9.590 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.152 10.381 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.750 9.373 3.720 1.00 0.00 H new ATOM 0 HG LEU A 110 6.202 8.526 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.613 6.959 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.244 8.651 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.101 7.620 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.937 6.255 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.430 6.887 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.271 7.427 5.807 1.00 0.00 H new ATOM 1771 N LEU A 111 10.123 8.372 4.957 1.00 0.00 N ATOM 1772 CA LEU A 111 11.091 7.565 4.235 1.00 0.00 C ATOM 1773 C LEU A 111 10.911 6.095 4.600 1.00 0.00 C ATOM 1774 O LEU A 111 10.973 5.718 5.770 1.00 0.00 O ATOM 1775 CB LEU A 111 12.512 8.034 4.565 1.00 0.00 C ATOM 1776 CG LEU A 111 12.659 9.523 4.222 1.00 0.00 C ATOM 1777 CD1 LEU A 111 14.088 9.968 4.469 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.352 9.746 2.746 1.00 0.00 C ATOM 0 H LEU A 111 10.222 8.344 5.972 1.00 0.00 H new ATOM 0 HA LEU A 111 10.930 7.680 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.722 7.872 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.239 7.448 4.002 1.00 0.00 H new ATOM 0 HG LEU A 111 11.968 10.091 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.187 11.025 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.341 9.813 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.764 9.386 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.458 10.804 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.047 9.166 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.331 9.427 2.534 1.00 0.00 H new ATOM 1790 N VAL A 112 10.676 5.277 3.583 1.00 0.00 N ATOM 1791 CA VAL A 112 10.474 3.842 3.780 1.00 0.00 C ATOM 1792 C VAL A 112 11.587 3.065 3.069 1.00 0.00 C ATOM 1793 O VAL A 112 12.058 3.480 2.017 1.00 0.00 O ATOM 1794 CB VAL A 112 9.099 3.412 3.232 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.680 4.286 2.040 1.00 0.00 C ATOM 1796 CG2 VAL A 112 9.154 1.939 2.801 1.00 0.00 C ATOM 0 H VAL A 112 10.620 5.580 2.611 1.00 0.00 H new ATOM 0 HA VAL A 112 10.505 3.624 4.847 1.00 0.00 H new ATOM 0 HB VAL A 112 8.360 3.538 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.706 3.960 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.619 5.327 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.417 4.192 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.181 1.637 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.908 1.815 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.412 1.318 3.659 1.00 0.00 H new ATOM 1806 N ASN A 113 11.996 1.935 3.639 1.00 0.00 N ATOM 1807 CA ASN A 113 13.045 1.117 3.027 1.00 0.00 C ATOM 1808 C ASN A 113 14.127 1.988 2.386 1.00 0.00 C ATOM 1809 O ASN A 113 14.681 1.633 1.346 1.00 0.00 O ATOM 1810 CB ASN A 113 12.430 0.208 1.962 1.00 0.00 C ATOM 1811 CG ASN A 113 13.204 -1.102 1.886 1.00 0.00 C ATOM 1812 OD1 ASN A 113 13.366 -1.789 2.895 1.00 0.00 O ATOM 1813 ND2 ASN A 113 13.692 -1.494 0.742 1.00 0.00 N ATOM 0 H ASN A 113 11.624 1.566 4.514 1.00 0.00 H new ATOM 0 HA ASN A 113 13.507 0.517 3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.385 0.009 2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.446 0.707 0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 113 14.209 -2.371 0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.557 -0.923 -0.093 1.00 0.00 H new ATOM 1820 N GLU A 114 14.417 3.125 3.016 1.00 0.00 N ATOM 1821 CA GLU A 114 15.433 4.050 2.508 1.00 0.00 C ATOM 1822 C GLU A 114 15.044 4.597 1.135 1.00 0.00 C ATOM 1823 O GLU A 114 15.675 4.273 0.128 1.00 0.00 O ATOM 1824 CB GLU A 114 16.796 3.351 2.412 1.00 0.00 C ATOM 1825 CG GLU A 114 17.131 2.691 3.751 1.00 0.00 C ATOM 1826 CD GLU A 114 17.462 3.762 4.783 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.024 4.773 4.397 1.00 0.00 O ATOM 1828 OE2 GLU A 114 17.146 3.556 5.943 1.00 0.00 O ATOM 0 H GLU A 114 13.964 3.429 3.878 1.00 0.00 H new ATOM 0 HA GLU A 114 15.502 4.882 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.777 2.602 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.568 4.073 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.287 2.091 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.976 2.013 3.632 1.00 0.00 H new ATOM 1835 N LEU A 115 14.006 5.436 1.106 1.00 0.00 N ATOM 1836 CA LEU A 115 13.542 6.030 -0.148 1.00 0.00 C ATOM 1837 C LEU A 115 12.448 7.062 0.118 1.00 0.00 C ATOM 1838 O LEU A 115 11.689 6.939 1.082 1.00 0.00 O ATOM 1839 CB LEU A 115 13.021 4.933 -1.096 1.00 0.00 C ATOM 1840 CG LEU A 115 11.548 4.616 -0.781 1.00 0.00 C ATOM 1841 CD1 LEU A 115 10.607 5.535 -1.568 1.00 0.00 C ATOM 1842 CD2 LEU A 115 11.251 3.161 -1.147 1.00 0.00 C ATOM 0 H LEU A 115 13.475 5.717 1.930 1.00 0.00 H new ATOM 0 HA LEU A 115 14.383 6.535 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 115 13.117 5.261 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 115 13.626 4.032 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 115 11.382 4.778 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.573 5.290 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.805 6.573 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.773 5.397 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.208 2.935 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.436 3.008 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.897 2.501 -0.568 1.00 0.00 H new ATOM 1854 N LYS A 116 12.378 8.077 -0.739 1.00 0.00 N ATOM 1855 CA LYS A 116 11.379 9.127 -0.591 1.00 0.00 C ATOM 1856 C LYS A 116 10.061 8.727 -1.240 1.00 0.00 C ATOM 1857 O LYS A 116 10.025 8.309 -2.395 1.00 0.00 O ATOM 1858 CB LYS A 116 11.880 10.416 -1.233 1.00 0.00 C ATOM 1859 CG LYS A 116 10.910 11.557 -0.911 1.00 0.00 C ATOM 1860 CD LYS A 116 11.627 12.635 -0.095 1.00 0.00 C ATOM 1861 CE LYS A 116 12.624 13.407 -0.971 1.00 0.00 C ATOM 1862 NZ LYS A 116 12.875 12.687 -2.255 1.00 0.00 N ATOM 0 H LYS A 116 12.999 8.193 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 116 11.212 9.282 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.877 10.656 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.963 10.289 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.520 11.986 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.056 11.173 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.896 13.325 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 116 12.152 12.175 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.236 14.404 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.563 13.536 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.443 13.289 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.390 11.804 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.967 12.466 -2.712 1.00 0.00 H new ATOM 1876 N SER A 117 8.974 8.871 -0.493 1.00 0.00 N ATOM 1877 CA SER A 117 7.655 8.520 -1.016 1.00 0.00 C ATOM 1878 C SER A 117 7.038 9.690 -1.779 1.00 0.00 C ATOM 1879 O SER A 117 7.432 10.842 -1.593 1.00 0.00 O ATOM 1880 CB SER A 117 6.736 8.109 0.130 1.00 0.00 C ATOM 1881 OG SER A 117 7.473 7.332 1.063 1.00 0.00 O ATOM 0 H SER A 117 8.975 9.223 0.464 1.00 0.00 H new ATOM 0 HA SER A 117 7.773 7.685 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.326 8.993 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.892 7.536 -0.253 1.00 0.00 H new ATOM 0 HG SER A 117 6.854 6.811 1.616 1.00 0.00 H new ATOM 1887 N LYS A 118 6.068 9.384 -2.639 1.00 0.00 N ATOM 1888 CA LYS A 118 5.401 10.413 -3.426 1.00 0.00 C ATOM 1889 C LYS A 118 4.372 11.145 -2.576 1.00 0.00 C ATOM 1890 O LYS A 118 4.313 12.374 -2.577 1.00 0.00 O ATOM 1891 CB LYS A 118 4.709 9.773 -4.631 1.00 0.00 C ATOM 1892 CG LYS A 118 5.762 9.229 -5.604 1.00 0.00 C ATOM 1893 CD LYS A 118 6.337 10.359 -6.464 1.00 0.00 C ATOM 1894 CE LYS A 118 7.865 10.306 -6.408 1.00 0.00 C ATOM 1895 NZ LYS A 118 8.326 10.601 -5.022 1.00 0.00 N ATOM 0 H LYS A 118 5.730 8.436 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 118 6.147 11.129 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.054 8.967 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.080 10.508 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.564 8.745 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.315 8.469 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.995 10.258 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.981 11.324 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.216 9.321 -6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.290 11.029 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.366 10.598 -4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.975 11.535 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.960 9.876 -4.373 1.00 0.00 H new ATOM 1909 N GLU A 119 3.565 10.381 -1.850 1.00 0.00 N ATOM 1910 CA GLU A 119 2.543 10.975 -0.996 1.00 0.00 C ATOM 1911 C GLU A 119 2.079 9.973 0.049 1.00 0.00 C ATOM 1912 O GLU A 119 2.003 8.778 -0.217 1.00 0.00 O ATOM 1913 CB GLU A 119 1.351 11.422 -1.844 1.00 0.00 C ATOM 1914 CG GLU A 119 0.809 12.746 -1.304 1.00 0.00 C ATOM 1915 CD GLU A 119 1.783 13.877 -1.621 1.00 0.00 C ATOM 1916 OE1 GLU A 119 1.927 14.758 -0.791 1.00 0.00 O ATOM 1917 OE2 GLU A 119 2.371 13.842 -2.689 1.00 0.00 O ATOM 0 H GLU A 119 3.596 9.362 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 119 2.972 11.840 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.655 11.538 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.570 10.662 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.164 12.958 -1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.660 12.675 -0.227 1.00 0.00 H new ATOM 1924 N SER A 120 1.773 10.466 1.240 1.00 0.00 N ATOM 1925 CA SER A 120 1.316 9.596 2.312 1.00 0.00 C ATOM 1926 C SER A 120 0.741 10.412 3.458 1.00 0.00 C ATOM 1927 O SER A 120 0.897 11.631 3.505 1.00 0.00 O ATOM 1928 CB SER A 120 2.476 8.746 2.829 1.00 0.00 C ATOM 1929 OG SER A 120 2.011 7.914 3.883 1.00 0.00 O ATOM 0 H SER A 120 1.832 11.454 1.487 1.00 0.00 H new ATOM 0 HA SER A 120 0.536 8.947 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.885 8.137 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.283 9.387 3.184 1.00 0.00 H new ATOM 0 HG SER A 120 2.145 8.368 4.741 1.00 0.00 H new ATOM 1935 N ASP A 121 0.085 9.728 4.390 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.504 10.400 5.550 1.00 0.00 C ATOM 1937 C ASP A 121 -1.749 11.178 5.143 1.00 0.00 C ATOM 1938 O ASP A 121 -2.244 12.015 5.897 1.00 0.00 O ATOM 1939 CB ASP A 121 0.511 11.364 6.180 1.00 0.00 C ATOM 1940 CG ASP A 121 0.546 11.179 7.692 1.00 0.00 C ATOM 1941 OD1 ASP A 121 1.627 10.963 8.216 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.505 11.260 8.305 1.00 0.00 O ATOM 0 H ASP A 121 -0.053 8.718 4.369 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.780 9.637 6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.501 11.185 5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.244 12.393 5.939 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.248 10.892 3.947 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.437 11.561 3.440 1.00 0.00 C ATOM 1949 C ILE A 122 -4.539 11.579 4.494 1.00 0.00 C ATOM 1950 O ILE A 122 -5.353 12.502 4.536 1.00 0.00 O ATOM 1951 CB ILE A 122 -3.923 10.831 2.191 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.109 11.280 0.976 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.397 11.139 1.950 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -1.618 11.064 1.237 1.00 0.00 C ATOM 0 H ILE A 122 -1.848 10.202 3.311 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.187 12.593 3.194 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.795 9.759 2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.417 10.719 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.301 12.332 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.737 10.615 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.982 10.810 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.527 12.212 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.046 11.386 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.313 11.645 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.431 10.006 1.423 1.00 0.00 H new ATOM 1966 N MET A 123 -4.566 10.553 5.336 1.00 0.00 N ATOM 1967 CA MET A 123 -5.568 10.461 6.372 1.00 0.00 C ATOM 1968 C MET A 123 -6.963 10.385 5.772 1.00 0.00 C ATOM 1969 O MET A 123 -7.443 11.337 5.156 1.00 0.00 O ATOM 1970 CB MET A 123 -5.444 11.672 7.281 1.00 0.00 C ATOM 1971 CG MET A 123 -5.415 11.216 8.732 1.00 0.00 C ATOM 1972 SD MET A 123 -3.934 10.211 9.053 1.00 0.00 S ATOM 1973 CE MET A 123 -4.723 8.642 9.520 1.00 0.00 C ATOM 0 H MET A 123 -3.903 9.778 5.316 1.00 0.00 H new ATOM 0 HA MET A 123 -5.408 9.550 6.949 1.00 0.00 H new ATOM 0 HB2 MET A 123 -4.536 12.226 7.045 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.282 12.350 7.118 1.00 0.00 H new ATOM 0 HG2 MET A 123 -5.424 12.083 9.392 1.00 0.00 H new ATOM 0 HG3 MET A 123 -6.311 10.636 8.955 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.027 8.046 10.111 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.617 8.846 10.109 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.999 8.092 8.621 1.00 0.00 H new ATOM 1983 N THR A 124 -7.601 9.234 5.958 1.00 0.00 N ATOM 1984 CA THR A 124 -8.946 9.019 5.432 1.00 0.00 C ATOM 1985 C THR A 124 -9.914 8.702 6.556 1.00 0.00 C ATOM 1986 O THR A 124 -9.562 8.760 7.733 1.00 0.00 O ATOM 1987 CB THR A 124 -8.955 7.877 4.428 1.00 0.00 C ATOM 1988 OG1 THR A 124 -9.100 6.639 5.108 1.00 0.00 O ATOM 1989 CG2 THR A 124 -7.652 7.889 3.642 1.00 0.00 C ATOM 0 H THR A 124 -7.212 8.440 6.466 1.00 0.00 H new ATOM 0 HA THR A 124 -9.259 9.937 4.934 1.00 0.00 H new ATOM 0 HB THR A 124 -9.793 8.002 3.742 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.456 6.593 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.654 7.072 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.554 8.838 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 124 -6.813 7.766 4.327 1.00 0.00 H new ATOM 1997 N THR A 125 -11.136 8.362 6.184 1.00 0.00 N ATOM 1998 CA THR A 125 -12.149 8.030 7.176 1.00 0.00 C ATOM 1999 C THR A 125 -12.124 6.532 7.491 1.00 0.00 C ATOM 2000 O THR A 125 -12.739 6.079 8.457 1.00 0.00 O ATOM 2001 CB THR A 125 -13.533 8.464 6.683 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.531 7.688 7.328 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.624 8.266 5.174 1.00 0.00 C ATOM 0 H THR A 125 -11.450 8.308 5.215 1.00 0.00 H new ATOM 0 HA THR A 125 -11.928 8.570 8.097 1.00 0.00 H new ATOM 0 HB THR A 125 -13.687 9.517 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.150 7.260 8.123 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.609 8.575 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 125 -12.860 8.867 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.468 7.214 4.935 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.405 5.774 6.666 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.289 4.325 6.849 1.00 0.00 C ATOM 2013 C ASN A 126 -9.823 3.880 6.720 1.00 0.00 C ATOM 2014 O ASN A 126 -9.514 2.841 6.134 1.00 0.00 O ATOM 2015 CB ASN A 126 -12.198 3.602 5.854 1.00 0.00 C ATOM 2016 CG ASN A 126 -12.933 4.632 5.002 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -12.428 5.063 3.974 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -14.105 5.062 5.386 1.00 0.00 N ATOM 0 H ASN A 126 -10.893 6.138 5.863 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.616 4.060 7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.608 2.942 5.218 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -12.914 2.976 6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.601 5.758 4.829 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -14.525 4.702 6.243 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.925 4.657 7.334 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.504 4.310 7.356 1.00 0.00 C ATOM 2027 C GLY A 127 -6.639 5.365 6.704 1.00 0.00 C ATOM 2028 O GLY A 127 -7.116 6.438 6.337 1.00 0.00 O ATOM 0 H GLY A 127 -9.156 5.524 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.184 4.170 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.358 3.358 6.845 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.353 5.052 6.570 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.419 5.981 5.959 1.00 0.00 C ATOM 2034 C VAL A 128 -3.939 5.431 4.635 1.00 0.00 C ATOM 2035 O VAL A 128 -4.129 4.251 4.337 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.223 6.216 6.884 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.262 5.033 6.784 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.497 7.505 6.486 1.00 0.00 C ATOM 0 H VAL A 128 -4.941 4.170 6.874 1.00 0.00 H new ATOM 0 HA VAL A 128 -4.928 6.930 5.792 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.578 6.312 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.410 5.200 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.777 4.120 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.912 4.934 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.647 7.664 7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.144 7.421 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.183 8.348 6.566 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.321 6.293 3.845 1.00 0.00 N ATOM 2049 CA ILE A 129 -2.817 5.888 2.546 1.00 0.00 C ATOM 2050 C ILE A 129 -1.349 6.274 2.392 1.00 0.00 C ATOM 2051 O ILE A 129 -0.929 7.353 2.827 1.00 0.00 O ATOM 2052 CB ILE A 129 -3.638 6.554 1.436 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.038 5.935 1.373 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -2.936 6.359 0.093 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -5.944 6.823 0.516 1.00 0.00 C ATOM 0 H ILE A 129 -3.157 7.272 4.080 1.00 0.00 H new ATOM 0 HA ILE A 129 -2.906 4.804 2.467 1.00 0.00 H new ATOM 0 HB ILE A 129 -3.728 7.619 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -4.986 4.932 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.450 5.836 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.521 6.833 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.945 6.811 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.841 5.294 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -6.942 6.386 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.004 7.817 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.533 6.899 -0.491 1.00 0.00 H new ATOM 2067 N HIS A 130 -0.579 5.390 1.756 1.00 0.00 N ATOM 2068 CA HIS A 130 0.834 5.657 1.518 1.00 0.00 C ATOM 2069 C HIS A 130 1.156 5.391 0.059 1.00 0.00 C ATOM 2070 O HIS A 130 1.203 4.245 -0.381 1.00 0.00 O ATOM 2071 CB HIS A 130 1.693 4.760 2.407 1.00 0.00 C ATOM 2072 CG HIS A 130 3.147 5.161 2.334 1.00 0.00 C ATOM 2073 ND1 HIS A 130 4.006 4.944 3.394 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.913 5.742 1.344 1.00 0.00 C ATOM 2075 CE1 HIS A 130 5.220 5.389 3.033 1.00 0.00 C ATOM 2076 NE2 HIS A 130 5.221 5.884 1.793 1.00 0.00 N ATOM 0 H HIS A 130 -0.909 4.492 1.401 1.00 0.00 H new ATOM 0 HA HIS A 130 1.049 6.699 1.756 1.00 0.00 H new ATOM 0 HB2 HIS A 130 1.346 4.824 3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 130 1.582 3.721 2.097 1.00 0.00 H new ATOM 0 HD1 HIS A 130 3.762 4.522 4.290 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.552 6.040 0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 130 6.092 5.351 3.670 1.00 0.00 H new ATOM 2085 N VAL A 131 1.397 6.467 -0.673 1.00 0.00 N ATOM 2086 CA VAL A 131 1.725 6.374 -2.091 1.00 0.00 C ATOM 2087 C VAL A 131 3.231 6.367 -2.309 1.00 0.00 C ATOM 2088 O VAL A 131 3.921 7.341 -1.994 1.00 0.00 O ATOM 2089 CB VAL A 131 1.125 7.562 -2.843 1.00 0.00 C ATOM 2090 CG1 VAL A 131 1.306 7.353 -4.347 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.367 7.687 -2.520 1.00 0.00 C ATOM 0 H VAL A 131 1.372 7.419 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 131 1.309 5.440 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 131 1.634 8.476 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.879 8.199 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.368 7.274 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.800 6.437 -4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -0.786 8.536 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -0.882 6.775 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.496 7.839 -1.448 1.00 0.00 H new ATOM 2101 N VAL A 132 3.728 5.269 -2.866 1.00 0.00 N ATOM 2102 CA VAL A 132 5.157 5.143 -3.142 1.00 0.00 C ATOM 2103 C VAL A 132 5.399 4.998 -4.645 1.00 0.00 C ATOM 2104 O VAL A 132 4.455 4.935 -5.433 1.00 0.00 O ATOM 2105 CB VAL A 132 5.731 3.930 -2.404 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.578 4.122 -0.892 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.977 2.672 -2.832 1.00 0.00 C ATOM 0 H VAL A 132 3.170 4.459 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 132 5.658 6.045 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 132 6.788 3.827 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.988 3.256 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 132 6.115 5.019 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.522 4.228 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.384 1.808 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.920 2.780 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 132 5.088 2.530 -3.907 1.00 0.00 H new ATOM 2117 N ASP A 133 6.672 4.955 -5.032 1.00 0.00 N ATOM 2118 CA ASP A 133 7.033 4.822 -6.442 1.00 0.00 C ATOM 2119 C ASP A 133 7.903 3.588 -6.653 1.00 0.00 C ATOM 2120 O ASP A 133 8.904 3.634 -7.368 1.00 0.00 O ATOM 2121 CB ASP A 133 7.792 6.064 -6.902 1.00 0.00 C ATOM 2122 CG ASP A 133 7.503 6.340 -8.374 1.00 0.00 C ATOM 2123 OD1 ASP A 133 7.041 7.428 -8.673 1.00 0.00 O ATOM 2124 OD2 ASP A 133 7.752 5.459 -9.181 1.00 0.00 O ATOM 0 H ASP A 133 7.466 5.010 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 133 6.119 4.716 -7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.499 6.923 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.862 5.921 -6.754 1.00 0.00 H new ATOM 2129 N LYS A 134 7.514 2.486 -6.026 1.00 0.00 N ATOM 2130 CA LYS A 134 8.265 1.247 -6.152 1.00 0.00 C ATOM 2131 C LYS A 134 7.490 0.092 -5.529 1.00 0.00 C ATOM 2132 O LYS A 134 6.614 0.301 -4.692 1.00 0.00 O ATOM 2133 CB LYS A 134 9.635 1.393 -5.476 1.00 0.00 C ATOM 2134 CG LYS A 134 9.491 1.245 -3.951 1.00 0.00 C ATOM 2135 CD LYS A 134 9.718 -0.211 -3.512 1.00 0.00 C ATOM 2136 CE LYS A 134 11.128 -0.353 -2.935 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.121 0.120 -3.938 1.00 0.00 N ATOM 0 H LYS A 134 6.689 2.426 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 134 8.414 1.033 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 134 10.321 0.637 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 134 10.066 2.365 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 134 10.208 1.895 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.497 1.570 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 134 8.977 -0.497 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.591 -0.883 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.217 0.227 -2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.324 -1.393 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.075 -0.174 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.900 -0.292 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.083 1.157 -4.002 1.00 0.00 H new ATOM 2151 N LEU A 135 7.816 -1.125 -5.938 1.00 0.00 N ATOM 2152 CA LEU A 135 7.134 -2.299 -5.409 1.00 0.00 C ATOM 2153 C LEU A 135 7.936 -2.922 -4.273 1.00 0.00 C ATOM 2154 O LEU A 135 9.098 -3.281 -4.449 1.00 0.00 O ATOM 2155 CB LEU A 135 6.941 -3.337 -6.519 1.00 0.00 C ATOM 2156 CG LEU A 135 5.981 -4.436 -6.042 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.567 -3.873 -5.861 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.947 -5.560 -7.080 1.00 0.00 C ATOM 0 H LEU A 135 8.541 -1.326 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 135 6.163 -1.985 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.543 -2.857 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.902 -3.774 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 135 6.332 -4.820 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.900 -4.666 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.586 -3.074 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.208 -3.478 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.267 -6.343 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.603 -5.163 -8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.948 -5.975 -7.199 1.00 0.00 H new ATOM 2170 N LEU A 136 7.311 -3.049 -3.107 1.00 0.00 N ATOM 2171 CA LEU A 136 7.988 -3.638 -1.959 1.00 0.00 C ATOM 2172 C LEU A 136 8.004 -5.167 -2.070 1.00 0.00 C ATOM 2173 O LEU A 136 7.276 -5.858 -1.356 1.00 0.00 O ATOM 2174 CB LEU A 136 7.268 -3.217 -0.670 1.00 0.00 C ATOM 2175 CG LEU A 136 7.974 -2.010 -0.035 1.00 0.00 C ATOM 2176 CD1 LEU A 136 7.170 -1.522 1.169 1.00 0.00 C ATOM 2177 CD2 LEU A 136 9.377 -2.407 0.445 1.00 0.00 C ATOM 0 H LEU A 136 6.349 -2.756 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 136 9.018 -3.282 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.231 -2.966 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.252 -4.049 0.034 1.00 0.00 H new ATOM 0 HG LEU A 136 8.052 -1.221 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 136 7.672 -0.665 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.172 -1.228 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.092 -2.324 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.866 -1.542 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.297 -3.203 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.966 -2.758 -0.402 1.00 0.00 H new ATOM 2189 N TYR A 137 8.837 -5.693 -2.970 1.00 0.00 N ATOM 2190 CA TYR A 137 8.930 -7.137 -3.151 1.00 0.00 C ATOM 2191 C TYR A 137 10.402 -7.566 -3.244 1.00 0.00 C ATOM 2192 O TYR A 137 11.247 -6.782 -3.669 1.00 0.00 O ATOM 2193 CB TYR A 137 8.187 -7.515 -4.436 1.00 0.00 C ATOM 2194 CG TYR A 137 9.131 -7.448 -5.615 1.00 0.00 C ATOM 2195 CD1 TYR A 137 9.611 -6.213 -6.064 1.00 0.00 C ATOM 2196 CD2 TYR A 137 9.517 -8.622 -6.264 1.00 0.00 C ATOM 2197 CE1 TYR A 137 10.480 -6.153 -7.160 1.00 0.00 C ATOM 2198 CE2 TYR A 137 10.385 -8.567 -7.360 1.00 0.00 C ATOM 2199 CZ TYR A 137 10.865 -7.331 -7.810 1.00 0.00 C ATOM 2200 OH TYR A 137 11.720 -7.275 -8.892 1.00 0.00 O ATOM 0 H TYR A 137 9.448 -5.146 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 137 8.480 -7.647 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 137 7.775 -8.520 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 137 7.347 -6.839 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 137 9.311 -5.304 -5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 137 9.145 -9.575 -5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 137 10.853 -5.199 -7.503 1.00 0.00 H new ATOM 0 HE2 TYR A 137 10.685 -9.477 -7.858 1.00 0.00 H new ATOM 0 HH TYR A 137 11.886 -8.182 -9.225 1.00 0.00 H new ATOM 2210 N PRO A 138 10.723 -8.787 -2.872 1.00 0.00 N ATOM 2211 CA PRO A 138 12.127 -9.296 -2.935 1.00 0.00 C ATOM 2212 C PRO A 138 12.587 -9.537 -4.370 1.00 0.00 C ATOM 2213 O PRO A 138 11.933 -9.112 -5.321 1.00 0.00 O ATOM 2214 CB PRO A 138 12.076 -10.611 -2.156 1.00 0.00 C ATOM 2215 CG PRO A 138 10.660 -11.072 -2.256 1.00 0.00 C ATOM 2216 CD PRO A 138 9.803 -9.810 -2.340 1.00 0.00 C ATOM 0 HA PRO A 138 12.837 -8.579 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 138 12.760 -11.346 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 138 12.370 -10.464 -1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 138 10.516 -11.699 -3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 138 10.384 -11.672 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.944 -9.954 -2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.414 -9.526 -1.362 1.00 0.00 H new ATOM 2224 N ALA A 139 13.716 -10.224 -4.516 1.00 0.00 N ATOM 2225 CA ALA A 139 14.255 -10.517 -5.839 1.00 0.00 C ATOM 2226 C ALA A 139 13.552 -11.724 -6.446 1.00 0.00 C ATOM 2227 O ALA A 139 12.762 -11.592 -7.381 1.00 0.00 O ATOM 2228 CB ALA A 139 15.756 -10.792 -5.739 1.00 0.00 C ATOM 0 H ALA A 139 14.271 -10.586 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 139 14.087 -9.653 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.153 -11.010 -6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 139 16.260 -9.916 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.927 -11.646 -5.084 1.00 0.00 H new ATOM 2234 N ASP A 140 13.851 -12.894 -5.905 1.00 0.00 N ATOM 2235 CA ASP A 140 13.249 -14.135 -6.388 1.00 0.00 C ATOM 2236 C ASP A 140 12.263 -14.683 -5.362 1.00 0.00 C ATOM 2237 O ASP A 140 11.352 -15.439 -5.702 1.00 0.00 O ATOM 2238 CB ASP A 140 14.340 -15.174 -6.656 1.00 0.00 C ATOM 2239 CG ASP A 140 13.965 -16.501 -6.006 1.00 0.00 C ATOM 2240 OD1 ASP A 140 14.309 -16.691 -4.852 1.00 0.00 O ATOM 2241 OD2 ASP A 140 13.341 -17.310 -6.674 1.00 0.00 O ATOM 0 H ASP A 140 14.506 -13.015 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 140 12.714 -13.923 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.470 -15.309 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 140 15.293 -14.823 -6.262 1.00 0.00 H new TER 2246 ASP A 140