USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 734 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.532! (180deg=-0.979!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 4 HIS : no HD1:sc= 0.584 K(o=0.58,f=-2.7!) USER MOD Single : A 5 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.9) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 7 HIS : no HD1:sc= -0.35 K(o=-0.35,f=-1.3) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.0241 K(o=0.024,f=-2!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -120:sc= -0.219 USER MOD Single : A 18 GLN : amide:sc= -3.51! C(o=-3.5!,f=-4.2!) USER MOD Single : A 25 TYR OH : rot -15:sc= 0.942 USER MOD Single : A 27 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=-0.49) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.24! C(o=-1.2!,f=-3.8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 166:sc= -0.748 USER MOD Single : A 36 GLN : amide:sc= -0.245 K(o=-0.24,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= -0.936 (180deg=-1.05) USER MOD Single : A 42 SER OG : rot 46:sc= 0.984 USER MOD Single : A 43 GLN :FLIP amide:sc= 0.278 F(o=-0.48,f=0.28) USER MOD Single : A 44 GLN : amide:sc= -0.515 K(o=-0.52,f=-3.9!) USER MOD Single : A 45 THR OG1 : rot -77:sc= 0.436 USER MOD Single : A 46 HIS : no HD1:sc= -0.415 X(o=-0.41,f=-0.69) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00365 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 53 CYS SG : rot 75:sc= -0.419! USER MOD Single : A 54 ASN :FLIP amide:sc= -0.155 F(o=-1.7!,f=-0.15) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 67 MET CE :methyl 175:sc= -2.03 (180deg=-2.27) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0313 K(o=-0.031,f=-2.1!) USER MOD Single : A 77 GLN : amide:sc= -5.86! C(o=-5.9!,f=-9.2!) USER MOD Single : A 79 THR OG1 : rot 21:sc= 0.0875 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.503 10.436 -19.211 1.00 0.00 N ATOM 2 CA MET A 1 5.649 9.704 -18.603 1.00 0.00 C ATOM 3 C MET A 1 6.948 10.422 -18.968 1.00 0.00 C ATOM 4 O MET A 1 8.001 10.128 -18.441 1.00 0.00 O ATOM 5 CB MET A 1 5.681 8.269 -19.140 1.00 0.00 C ATOM 6 CG MET A 1 4.318 7.601 -18.921 1.00 0.00 C ATOM 7 SD MET A 1 3.187 8.093 -20.248 1.00 0.00 S ATOM 8 CE MET A 1 2.304 6.521 -20.409 1.00 0.00 C ATOM 0 H1 MET A 1 3.623 9.908 -19.039 1.00 0.00 H new ATOM 0 H2 MET A 1 4.429 11.381 -18.784 1.00 0.00 H new ATOM 0 H3 MET A 1 4.656 10.530 -20.235 1.00 0.00 H new ATOM 0 HA MET A 1 5.539 9.677 -17.519 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.927 8.274 -20.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.461 7.699 -18.635 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.430 6.517 -18.907 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.909 7.892 -17.953 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.547 6.607 -21.188 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.009 5.733 -20.673 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.823 6.275 -19.462 1.00 0.00 H new ATOM 20 N GLY A 2 6.876 11.371 -19.859 1.00 0.00 N ATOM 21 CA GLY A 2 8.101 12.122 -20.252 1.00 0.00 C ATOM 22 C GLY A 2 8.324 13.261 -19.259 1.00 0.00 C ATOM 23 O GLY A 2 9.252 14.033 -19.382 1.00 0.00 O ATOM 0 H GLY A 2 6.020 11.660 -20.333 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.964 11.456 -20.262 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.992 12.518 -21.262 1.00 0.00 H new ATOM 27 N HIS A 3 7.473 13.374 -18.275 1.00 0.00 N ATOM 28 CA HIS A 3 7.627 14.471 -17.274 1.00 0.00 C ATOM 29 C HIS A 3 8.829 14.189 -16.366 1.00 0.00 C ATOM 30 O HIS A 3 9.020 13.085 -15.895 1.00 0.00 O ATOM 31 CB HIS A 3 6.353 14.563 -16.435 1.00 0.00 C ATOM 32 CG HIS A 3 5.212 14.998 -17.314 1.00 0.00 C ATOM 33 ND1 HIS A 3 5.087 16.302 -17.768 1.00 0.00 N ATOM 34 CD2 HIS A 3 4.139 14.315 -17.833 1.00 0.00 C ATOM 35 CE1 HIS A 3 3.975 16.363 -18.522 1.00 0.00 C ATOM 36 NE2 HIS A 3 3.359 15.180 -18.595 1.00 0.00 N ATOM 0 H HIS A 3 6.678 12.755 -18.120 1.00 0.00 H new ATOM 0 HA HIS A 3 7.795 15.415 -17.792 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.131 13.597 -15.982 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.491 15.273 -15.620 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.932 13.267 -17.674 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.623 17.260 -19.010 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.501 14.958 -19.101 1.00 0.00 H new ATOM 44 N HIS A 4 9.646 15.182 -16.121 1.00 0.00 N ATOM 45 CA HIS A 4 10.847 14.979 -15.252 1.00 0.00 C ATOM 46 C HIS A 4 10.478 15.189 -13.779 1.00 0.00 C ATOM 47 O HIS A 4 9.519 15.857 -13.458 1.00 0.00 O ATOM 48 CB HIS A 4 11.933 15.976 -15.658 1.00 0.00 C ATOM 49 CG HIS A 4 11.444 17.380 -15.432 1.00 0.00 C ATOM 50 ND1 HIS A 4 10.508 17.981 -16.261 1.00 0.00 N ATOM 51 CD2 HIS A 4 11.763 18.321 -14.485 1.00 0.00 C ATOM 52 CE1 HIS A 4 10.300 19.229 -15.801 1.00 0.00 C ATOM 53 NE2 HIS A 4 11.040 19.488 -14.720 1.00 0.00 N ATOM 0 H HIS A 4 9.533 16.128 -16.486 1.00 0.00 H new ATOM 0 HA HIS A 4 11.214 13.960 -15.378 1.00 0.00 H new ATOM 0 HB2 HIS A 4 12.838 15.798 -15.078 1.00 0.00 H new ATOM 0 HB3 HIS A 4 12.194 15.836 -16.707 1.00 0.00 H new ATOM 0 HD2 HIS A 4 12.468 18.178 -13.679 1.00 0.00 H new ATOM 0 HE1 HIS A 4 9.618 19.935 -16.251 1.00 0.00 H new ATOM 0 HE2 HIS A 4 11.069 20.354 -14.182 1.00 0.00 H new ATOM 61 N HIS A 5 11.233 14.611 -12.880 1.00 0.00 N ATOM 62 CA HIS A 5 10.920 14.764 -11.430 1.00 0.00 C ATOM 63 C HIS A 5 11.236 16.190 -10.967 1.00 0.00 C ATOM 64 O HIS A 5 12.301 16.716 -11.214 1.00 0.00 O ATOM 65 CB HIS A 5 11.747 13.759 -10.619 1.00 0.00 C ATOM 66 CG HIS A 5 13.215 14.072 -10.740 1.00 0.00 C ATOM 67 ND1 HIS A 5 14.020 13.491 -11.707 1.00 0.00 N ATOM 68 CD2 HIS A 5 14.044 14.885 -10.003 1.00 0.00 C ATOM 69 CE1 HIS A 5 15.271 13.954 -11.528 1.00 0.00 C ATOM 70 NE2 HIS A 5 15.341 14.806 -10.502 1.00 0.00 N ATOM 0 H HIS A 5 12.052 14.040 -13.089 1.00 0.00 H new ATOM 0 HA HIS A 5 9.859 14.572 -11.273 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.446 13.791 -9.572 1.00 0.00 H new ATOM 0 HB3 HIS A 5 11.553 12.747 -10.975 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.736 15.492 -9.165 1.00 0.00 H new ATOM 0 HE1 HIS A 5 16.115 13.671 -12.139 1.00 0.00 H new ATOM 0 HE2 HIS A 5 16.168 15.294 -10.158 1.00 0.00 H new ATOM 78 N HIS A 6 10.309 16.814 -10.288 1.00 0.00 N ATOM 79 CA HIS A 6 10.538 18.201 -9.797 1.00 0.00 C ATOM 80 C HIS A 6 11.643 18.194 -8.738 1.00 0.00 C ATOM 81 O HIS A 6 12.514 19.040 -8.730 1.00 0.00 O ATOM 82 CB HIS A 6 9.241 18.724 -9.173 1.00 0.00 C ATOM 83 CG HIS A 6 8.196 18.879 -10.243 1.00 0.00 C ATOM 84 ND1 HIS A 6 8.256 19.886 -11.193 1.00 0.00 N ATOM 85 CD2 HIS A 6 7.057 18.164 -10.526 1.00 0.00 C ATOM 86 CE1 HIS A 6 7.183 19.752 -11.994 1.00 0.00 C ATOM 87 NE2 HIS A 6 6.419 18.718 -11.632 1.00 0.00 N ATOM 0 H HIS A 6 9.399 16.418 -10.052 1.00 0.00 H new ATOM 0 HA HIS A 6 10.838 18.842 -10.626 1.00 0.00 H new ATOM 0 HB2 HIS A 6 8.891 18.034 -8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 6 9.421 19.681 -8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.710 17.303 -9.974 1.00 0.00 H new ATOM 0 HE1 HIS A 6 6.966 20.402 -12.829 1.00 0.00 H new ATOM 0 HE2 HIS A 6 5.554 18.402 -12.071 1.00 0.00 H new ATOM 95 N HIS A 7 11.608 17.241 -7.844 1.00 0.00 N ATOM 96 CA HIS A 7 12.645 17.163 -6.776 1.00 0.00 C ATOM 97 C HIS A 7 12.430 15.889 -5.957 1.00 0.00 C ATOM 98 O HIS A 7 13.362 15.182 -5.632 1.00 0.00 O ATOM 99 CB HIS A 7 12.523 18.376 -5.847 1.00 0.00 C ATOM 100 CG HIS A 7 13.603 18.322 -4.799 1.00 0.00 C ATOM 101 ND1 HIS A 7 13.489 17.534 -3.665 1.00 0.00 N ATOM 102 CD2 HIS A 7 14.817 18.953 -4.697 1.00 0.00 C ATOM 103 CE1 HIS A 7 14.606 17.709 -2.936 1.00 0.00 C ATOM 104 NE2 HIS A 7 15.450 18.565 -3.520 1.00 0.00 N ATOM 0 H HIS A 7 10.899 16.508 -7.809 1.00 0.00 H new ATOM 0 HA HIS A 7 13.634 17.151 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 7 12.607 19.298 -6.423 1.00 0.00 H new ATOM 0 HB3 HIS A 7 11.542 18.386 -5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 7 15.220 19.646 -5.421 1.00 0.00 H new ATOM 0 HE1 HIS A 7 14.797 17.218 -1.994 1.00 0.00 H new ATOM 0 HE2 HIS A 7 16.361 18.868 -3.177 1.00 0.00 H new ATOM 112 N HIS A 8 11.204 15.600 -5.609 1.00 0.00 N ATOM 113 CA HIS A 8 10.924 14.383 -4.796 1.00 0.00 C ATOM 114 C HIS A 8 10.979 13.128 -5.673 1.00 0.00 C ATOM 115 O HIS A 8 10.643 13.155 -6.838 1.00 0.00 O ATOM 116 CB HIS A 8 9.539 14.502 -4.164 1.00 0.00 C ATOM 117 CG HIS A 8 9.533 15.646 -3.189 1.00 0.00 C ATOM 118 ND1 HIS A 8 10.252 15.613 -2.004 1.00 0.00 N ATOM 119 CD2 HIS A 8 8.899 16.863 -3.208 1.00 0.00 C ATOM 120 CE1 HIS A 8 10.035 16.778 -1.366 1.00 0.00 C ATOM 121 NE2 HIS A 8 9.218 17.576 -2.056 1.00 0.00 N ATOM 0 H HIS A 8 10.384 16.156 -5.854 1.00 0.00 H new ATOM 0 HA HIS A 8 11.681 14.299 -4.016 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.787 14.664 -4.936 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.278 13.574 -3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.251 17.214 -3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.469 17.036 -0.411 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.896 18.508 -1.795 1.00 0.00 H new ATOM 129 N SER A 9 11.410 12.031 -5.112 1.00 0.00 N ATOM 130 CA SER A 9 11.506 10.762 -5.892 1.00 0.00 C ATOM 131 C SER A 9 10.115 10.159 -6.116 1.00 0.00 C ATOM 132 O SER A 9 9.165 10.483 -5.433 1.00 0.00 O ATOM 133 CB SER A 9 12.367 9.767 -5.120 1.00 0.00 C ATOM 134 OG SER A 9 13.581 10.399 -4.734 1.00 0.00 O ATOM 0 H SER A 9 11.703 11.958 -4.138 1.00 0.00 H new ATOM 0 HA SER A 9 11.954 10.977 -6.862 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.832 9.412 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.578 8.894 -5.738 1.00 0.00 H new ATOM 0 HG SER A 9 14.137 9.764 -4.236 1.00 0.00 H new ATOM 140 N HIS A 10 9.996 9.270 -7.067 1.00 0.00 N ATOM 141 CA HIS A 10 8.682 8.629 -7.341 1.00 0.00 C ATOM 142 C HIS A 10 8.229 7.833 -6.113 1.00 0.00 C ATOM 143 O HIS A 10 7.052 7.683 -5.859 1.00 0.00 O ATOM 144 CB HIS A 10 8.826 7.681 -8.536 1.00 0.00 C ATOM 145 CG HIS A 10 9.798 6.579 -8.201 1.00 0.00 C ATOM 146 ND1 HIS A 10 11.170 6.785 -8.157 1.00 0.00 N ATOM 147 CD2 HIS A 10 9.611 5.252 -7.903 1.00 0.00 C ATOM 148 CE1 HIS A 10 11.748 5.610 -7.848 1.00 0.00 C ATOM 149 NE2 HIS A 10 10.843 4.641 -7.681 1.00 0.00 N ATOM 0 H HIS A 10 10.760 8.960 -7.668 1.00 0.00 H new ATOM 0 HA HIS A 10 7.942 9.397 -7.565 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.856 7.256 -8.794 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.175 8.233 -9.409 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.653 4.756 -7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.814 5.467 -7.747 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.017 3.665 -7.442 1.00 0.00 H new ATOM 157 N MET A 11 9.154 7.319 -5.352 1.00 0.00 N ATOM 158 CA MET A 11 8.772 6.528 -4.150 1.00 0.00 C ATOM 159 C MET A 11 8.128 7.447 -3.109 1.00 0.00 C ATOM 160 O MET A 11 8.512 8.587 -2.946 1.00 0.00 O ATOM 161 CB MET A 11 10.022 5.879 -3.555 1.00 0.00 C ATOM 162 CG MET A 11 9.624 4.925 -2.425 1.00 0.00 C ATOM 163 SD MET A 11 8.748 3.499 -3.123 1.00 0.00 S ATOM 164 CE MET A 11 10.041 2.258 -2.861 1.00 0.00 C ATOM 0 H MET A 11 10.157 7.412 -5.510 1.00 0.00 H new ATOM 0 HA MET A 11 8.058 5.755 -4.436 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.564 5.335 -4.329 1.00 0.00 H new ATOM 0 HB3 MET A 11 10.696 6.647 -3.175 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.511 4.593 -1.885 1.00 0.00 H new ATOM 0 HG3 MET A 11 8.988 5.441 -1.706 1.00 0.00 H new ATOM 0 HE1 MET A 11 9.697 1.291 -3.228 1.00 0.00 H new ATOM 0 HE2 MET A 11 10.942 2.552 -3.400 1.00 0.00 H new ATOM 0 HE3 MET A 11 10.263 2.183 -1.797 1.00 0.00 H new ATOM 174 N LEU A 12 7.146 6.957 -2.402 1.00 0.00 N ATOM 175 CA LEU A 12 6.474 7.801 -1.374 1.00 0.00 C ATOM 176 C LEU A 12 7.337 7.839 -0.094 1.00 0.00 C ATOM 177 O LEU A 12 8.070 6.910 0.181 1.00 0.00 O ATOM 178 CB LEU A 12 5.097 7.201 -1.054 1.00 0.00 C ATOM 179 CG LEU A 12 4.470 6.635 -2.329 1.00 0.00 C ATOM 180 CD1 LEU A 12 3.062 6.133 -2.016 1.00 0.00 C ATOM 181 CD2 LEU A 12 4.395 7.736 -3.388 1.00 0.00 C ATOM 0 H LEU A 12 6.780 6.009 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 12 6.351 8.816 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.198 6.414 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.448 7.965 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 12 5.077 5.811 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.610 5.728 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.114 5.353 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.455 6.959 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.948 7.336 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.784 8.558 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.399 8.100 -3.606 1.00 0.00 H new ATOM 193 N PRO A 13 7.243 8.893 0.693 1.00 0.00 N ATOM 194 CA PRO A 13 8.026 9.017 1.967 1.00 0.00 C ATOM 195 C PRO A 13 8.041 7.722 2.800 1.00 0.00 C ATOM 196 O PRO A 13 7.182 6.876 2.672 1.00 0.00 O ATOM 197 CB PRO A 13 7.281 10.122 2.729 1.00 0.00 C ATOM 198 CG PRO A 13 6.679 10.994 1.672 1.00 0.00 C ATOM 199 CD PRO A 13 6.411 10.095 0.455 1.00 0.00 C ATOM 0 HA PRO A 13 9.076 9.232 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.512 9.703 3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.961 10.688 3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.755 11.450 2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.356 11.808 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.355 9.838 0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.688 10.592 -0.475 1.00 0.00 H new ATOM 207 N LYS A 14 9.022 7.577 3.658 1.00 0.00 N ATOM 208 CA LYS A 14 9.121 6.355 4.510 1.00 0.00 C ATOM 209 C LYS A 14 7.901 6.254 5.429 1.00 0.00 C ATOM 210 O LYS A 14 7.320 5.200 5.591 1.00 0.00 O ATOM 211 CB LYS A 14 10.386 6.450 5.369 1.00 0.00 C ATOM 212 CG LYS A 14 10.570 5.154 6.160 1.00 0.00 C ATOM 213 CD LYS A 14 11.854 5.235 6.990 1.00 0.00 C ATOM 214 CE LYS A 14 12.041 3.930 7.763 1.00 0.00 C ATOM 215 NZ LYS A 14 13.298 3.997 8.561 1.00 0.00 N ATOM 0 H LYS A 14 9.764 8.261 3.804 1.00 0.00 H new ATOM 0 HA LYS A 14 9.162 5.473 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.255 6.627 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.311 7.297 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.713 4.990 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.619 4.304 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.710 5.411 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.801 6.076 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.189 3.760 8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.082 3.089 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.424 3.108 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.107 4.139 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.242 4.790 9.231 1.00 0.00 H new ATOM 229 N GLU A 15 7.512 7.338 6.039 1.00 0.00 N ATOM 230 CA GLU A 15 6.338 7.299 6.953 1.00 0.00 C ATOM 231 C GLU A 15 5.082 6.920 6.165 1.00 0.00 C ATOM 232 O GLU A 15 4.269 6.141 6.616 1.00 0.00 O ATOM 233 CB GLU A 15 6.163 8.679 7.592 1.00 0.00 C ATOM 234 CG GLU A 15 5.808 9.703 6.513 1.00 0.00 C ATOM 235 CD GLU A 15 5.883 11.112 7.098 1.00 0.00 C ATOM 236 OE1 GLU A 15 6.986 11.560 7.366 1.00 0.00 O ATOM 237 OE2 GLU A 15 4.840 11.718 7.269 1.00 0.00 O ATOM 0 H GLU A 15 7.957 8.251 5.944 1.00 0.00 H new ATOM 0 HA GLU A 15 6.498 6.554 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.378 8.644 8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.081 8.975 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.494 9.611 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.806 9.510 6.130 1.00 0.00 H new ATOM 244 N SER A 16 4.917 7.459 4.990 1.00 0.00 N ATOM 245 CA SER A 16 3.718 7.121 4.176 1.00 0.00 C ATOM 246 C SER A 16 3.743 5.633 3.823 1.00 0.00 C ATOM 247 O SER A 16 2.744 4.946 3.906 1.00 0.00 O ATOM 248 CB SER A 16 3.729 7.955 2.898 1.00 0.00 C ATOM 249 OG SER A 16 2.566 7.662 2.137 1.00 0.00 O ATOM 0 H SER A 16 5.562 8.120 4.558 1.00 0.00 H new ATOM 0 HA SER A 16 2.814 7.338 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.759 9.017 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.624 7.737 2.315 1.00 0.00 H new ATOM 0 HG SER A 16 2.828 7.312 1.260 1.00 0.00 H new ATOM 255 N VAL A 17 4.881 5.128 3.436 1.00 0.00 N ATOM 256 CA VAL A 17 4.983 3.687 3.082 1.00 0.00 C ATOM 257 C VAL A 17 4.708 2.842 4.327 1.00 0.00 C ATOM 258 O VAL A 17 4.008 1.853 4.275 1.00 0.00 O ATOM 259 CB VAL A 17 6.391 3.390 2.563 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.556 1.885 2.354 1.00 0.00 C ATOM 261 CG2 VAL A 17 6.607 4.112 1.232 1.00 0.00 C ATOM 0 H VAL A 17 5.749 5.656 3.350 1.00 0.00 H new ATOM 0 HA VAL A 17 4.254 3.446 2.309 1.00 0.00 H new ATOM 0 HB VAL A 17 7.123 3.738 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.560 1.677 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.404 1.367 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.822 1.536 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.610 3.901 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.872 3.765 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.493 5.186 1.378 1.00 0.00 H new ATOM 271 N GLN A 18 5.259 3.224 5.444 1.00 0.00 N ATOM 272 CA GLN A 18 5.037 2.444 6.691 1.00 0.00 C ATOM 273 C GLN A 18 3.535 2.349 6.974 1.00 0.00 C ATOM 274 O GLN A 18 3.021 1.298 7.301 1.00 0.00 O ATOM 275 CB GLN A 18 5.742 3.158 7.853 1.00 0.00 C ATOM 276 CG GLN A 18 6.043 2.165 8.978 1.00 0.00 C ATOM 277 CD GLN A 18 4.733 1.557 9.484 1.00 0.00 C ATOM 278 OE1 GLN A 18 3.766 2.262 9.695 1.00 0.00 O ATOM 279 NE2 GLN A 18 4.662 0.271 9.693 1.00 0.00 N ATOM 0 H GLN A 18 5.855 4.045 5.547 1.00 0.00 H new ATOM 0 HA GLN A 18 5.441 1.438 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.668 3.613 7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.113 3.965 8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.706 1.379 8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.562 2.669 9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.474 -0.320 9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.794 -0.143 10.034 1.00 0.00 H new ATOM 288 N ILE A 19 2.827 3.435 6.850 1.00 0.00 N ATOM 289 CA ILE A 19 1.364 3.404 7.111 1.00 0.00 C ATOM 290 C ILE A 19 0.681 2.496 6.083 1.00 0.00 C ATOM 291 O ILE A 19 -0.163 1.689 6.414 1.00 0.00 O ATOM 292 CB ILE A 19 0.812 4.827 6.994 1.00 0.00 C ATOM 293 CG1 ILE A 19 1.367 5.687 8.135 1.00 0.00 C ATOM 294 CG2 ILE A 19 -0.718 4.796 7.073 1.00 0.00 C ATOM 295 CD1 ILE A 19 1.038 7.158 7.875 1.00 0.00 C ATOM 0 H ILE A 19 3.200 4.345 6.578 1.00 0.00 H new ATOM 0 HA ILE A 19 1.171 3.016 8.111 1.00 0.00 H new ATOM 0 HB ILE A 19 1.114 5.253 6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.937 5.370 9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.446 5.553 8.213 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.107 5.811 6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.112 4.188 6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.024 4.367 8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.433 7.768 8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.489 7.471 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.043 7.285 7.819 1.00 0.00 H new ATOM 307 N LEU A 20 1.038 2.628 4.835 1.00 0.00 N ATOM 308 CA LEU A 20 0.413 1.783 3.779 1.00 0.00 C ATOM 309 C LEU A 20 0.792 0.313 3.994 1.00 0.00 C ATOM 310 O LEU A 20 -0.025 -0.576 3.868 1.00 0.00 O ATOM 311 CB LEU A 20 0.921 2.251 2.413 1.00 0.00 C ATOM 312 CG LEU A 20 0.398 3.667 2.124 1.00 0.00 C ATOM 313 CD1 LEU A 20 1.100 4.215 0.877 1.00 0.00 C ATOM 314 CD2 LEU A 20 -1.128 3.650 1.899 1.00 0.00 C ATOM 0 H LEU A 20 1.739 3.288 4.500 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.672 1.876 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.011 2.245 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.588 1.564 1.635 1.00 0.00 H new ATOM 0 HG LEU A 20 0.610 4.306 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.734 5.220 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.176 4.250 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.890 3.566 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.477 4.662 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.363 3.008 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.623 3.268 2.792 1.00 0.00 H new ATOM 326 N ARG A 21 2.028 0.056 4.316 1.00 0.00 N ATOM 327 CA ARG A 21 2.480 -1.344 4.539 1.00 0.00 C ATOM 328 C ARG A 21 1.779 -1.929 5.770 1.00 0.00 C ATOM 329 O ARG A 21 1.358 -3.068 5.776 1.00 0.00 O ATOM 330 CB ARG A 21 3.994 -1.337 4.759 1.00 0.00 C ATOM 331 CG ARG A 21 4.512 -2.769 4.909 1.00 0.00 C ATOM 332 CD ARG A 21 6.031 -2.743 5.091 1.00 0.00 C ATOM 333 NE ARG A 21 6.536 -4.136 5.245 1.00 0.00 N ATOM 334 CZ ARG A 21 7.820 -4.363 5.324 1.00 0.00 C ATOM 335 NH1 ARG A 21 8.663 -3.367 5.274 1.00 0.00 N ATOM 336 NH2 ARG A 21 8.260 -5.585 5.455 1.00 0.00 N ATOM 0 H ARG A 21 2.752 0.764 4.435 1.00 0.00 H new ATOM 0 HA ARG A 21 2.232 -1.957 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.489 -0.850 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.237 -0.759 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.040 -3.250 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.250 -3.356 4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.503 -2.267 4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.293 -2.151 5.968 1.00 0.00 H new ATOM 0 HE ARG A 21 5.878 -4.914 5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.319 -2.412 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.666 -3.544 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.601 -6.363 5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.263 -5.762 5.517 1.00 0.00 H new ATOM 350 N ASP A 22 1.658 -1.157 6.814 1.00 0.00 N ATOM 351 CA ASP A 22 0.997 -1.662 8.049 1.00 0.00 C ATOM 352 C ASP A 22 -0.449 -2.061 7.749 1.00 0.00 C ATOM 353 O ASP A 22 -0.907 -3.113 8.148 1.00 0.00 O ATOM 354 CB ASP A 22 1.010 -0.554 9.099 1.00 0.00 C ATOM 355 CG ASP A 22 0.349 -1.055 10.383 1.00 0.00 C ATOM 356 OD1 ASP A 22 -0.183 -2.152 10.363 1.00 0.00 O ATOM 357 OD2 ASP A 22 0.385 -0.332 11.364 1.00 0.00 O ATOM 0 H ASP A 22 1.990 -0.194 6.865 1.00 0.00 H new ATOM 0 HA ASP A 22 1.533 -2.537 8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.035 -0.245 9.303 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.481 0.322 8.724 1.00 0.00 H new ATOM 362 N TRP A 23 -1.172 -1.236 7.049 1.00 0.00 N ATOM 363 CA TRP A 23 -2.583 -1.576 6.725 1.00 0.00 C ATOM 364 C TRP A 23 -2.622 -2.840 5.864 1.00 0.00 C ATOM 365 O TRP A 23 -3.463 -3.699 6.040 1.00 0.00 O ATOM 366 CB TRP A 23 -3.214 -0.420 5.954 1.00 0.00 C ATOM 367 CG TRP A 23 -4.626 -0.763 5.618 1.00 0.00 C ATOM 368 CD1 TRP A 23 -5.036 -1.283 4.440 1.00 0.00 C ATOM 369 CD2 TRP A 23 -5.820 -0.618 6.440 1.00 0.00 C ATOM 370 NE1 TRP A 23 -6.404 -1.474 4.488 1.00 0.00 N ATOM 371 CE2 TRP A 23 -6.935 -1.076 5.698 1.00 0.00 C ATOM 372 CE3 TRP A 23 -6.041 -0.138 7.741 1.00 0.00 C ATOM 373 CZ2 TRP A 23 -8.222 -1.060 6.231 1.00 0.00 C ATOM 374 CZ3 TRP A 23 -7.338 -0.119 8.282 1.00 0.00 C ATOM 375 CH2 TRP A 23 -8.426 -0.579 7.527 1.00 0.00 C ATOM 0 H TRP A 23 -0.847 -0.340 6.687 1.00 0.00 H new ATOM 0 HA TRP A 23 -3.136 -1.750 7.648 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.181 0.491 6.551 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.649 -0.224 5.043 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.399 -1.512 3.599 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.954 -1.862 3.722 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.209 0.219 8.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -9.057 -1.417 5.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -7.497 0.252 9.284 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.421 -0.562 7.947 1.00 0.00 H new ATOM 386 N LEU A 24 -1.725 -2.953 4.924 1.00 0.00 N ATOM 387 CA LEU A 24 -1.716 -4.151 4.043 1.00 0.00 C ATOM 388 C LEU A 24 -1.444 -5.400 4.883 1.00 0.00 C ATOM 389 O LEU A 24 -2.039 -6.439 4.680 1.00 0.00 O ATOM 390 CB LEU A 24 -0.615 -4.000 2.993 1.00 0.00 C ATOM 391 CG LEU A 24 -0.714 -5.130 1.956 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.011 -4.997 1.131 1.00 0.00 C ATOM 393 CD2 LEU A 24 0.503 -5.061 1.027 1.00 0.00 C ATOM 0 H LEU A 24 -0.997 -2.266 4.729 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.683 -4.246 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.704 -3.033 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.363 -4.023 3.474 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.734 -6.090 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.063 -5.806 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.873 -5.052 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.015 -4.039 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.442 -5.859 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.519 -4.096 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.415 -5.178 1.613 1.00 0.00 H new ATOM 405 N TYR A 25 -0.544 -5.306 5.822 1.00 0.00 N ATOM 406 CA TYR A 25 -0.221 -6.481 6.675 1.00 0.00 C ATOM 407 C TYR A 25 -1.478 -6.913 7.433 1.00 0.00 C ATOM 408 O TYR A 25 -1.731 -8.087 7.617 1.00 0.00 O ATOM 409 CB TYR A 25 0.889 -6.090 7.671 1.00 0.00 C ATOM 410 CG TYR A 25 2.255 -6.283 7.037 1.00 0.00 C ATOM 411 CD1 TYR A 25 2.503 -5.831 5.731 1.00 0.00 C ATOM 412 CD2 TYR A 25 3.275 -6.916 7.758 1.00 0.00 C ATOM 413 CE1 TYR A 25 3.763 -6.017 5.152 1.00 0.00 C ATOM 414 CE2 TYR A 25 4.535 -7.101 7.177 1.00 0.00 C ATOM 415 CZ TYR A 25 4.779 -6.651 5.875 1.00 0.00 C ATOM 416 OH TYR A 25 6.020 -6.833 5.301 1.00 0.00 O ATOM 0 H TYR A 25 -0.016 -4.460 6.035 1.00 0.00 H new ATOM 0 HA TYR A 25 0.126 -7.309 6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.765 -5.051 7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.809 -6.698 8.572 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.720 -5.339 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.089 -7.262 8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.951 -5.671 4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.319 -7.591 7.734 1.00 0.00 H new ATOM 0 HH TYR A 25 5.957 -6.690 4.334 1.00 0.00 H new ATOM 426 N GLU A 26 -2.270 -5.978 7.868 1.00 0.00 N ATOM 427 CA GLU A 26 -3.506 -6.338 8.604 1.00 0.00 C ATOM 428 C GLU A 26 -4.437 -7.121 7.679 1.00 0.00 C ATOM 429 O GLU A 26 -5.081 -8.068 8.085 1.00 0.00 O ATOM 430 CB GLU A 26 -4.202 -5.058 9.057 1.00 0.00 C ATOM 431 CG GLU A 26 -3.339 -4.362 10.108 1.00 0.00 C ATOM 432 CD GLU A 26 -3.984 -3.027 10.486 1.00 0.00 C ATOM 433 OE1 GLU A 26 -5.062 -2.754 9.986 1.00 0.00 O ATOM 434 OE2 GLU A 26 -3.388 -2.301 11.263 1.00 0.00 O ATOM 0 H GLU A 26 -2.113 -4.978 7.745 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.256 -6.951 9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.363 -4.397 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.183 -5.290 9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.239 -4.994 10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.334 -4.197 9.719 1.00 0.00 H new ATOM 441 N HIS A 27 -4.510 -6.729 6.432 1.00 0.00 N ATOM 442 CA HIS A 27 -5.395 -7.438 5.458 1.00 0.00 C ATOM 443 C HIS A 27 -4.623 -7.658 4.153 1.00 0.00 C ATOM 444 O HIS A 27 -5.034 -7.239 3.091 1.00 0.00 O ATOM 445 CB HIS A 27 -6.638 -6.584 5.200 1.00 0.00 C ATOM 446 CG HIS A 27 -7.467 -6.531 6.458 1.00 0.00 C ATOM 447 ND1 HIS A 27 -7.257 -5.579 7.444 1.00 0.00 N ATOM 448 CD2 HIS A 27 -8.502 -7.315 6.909 1.00 0.00 C ATOM 449 CE1 HIS A 27 -8.146 -5.811 8.428 1.00 0.00 C ATOM 450 NE2 HIS A 27 -8.929 -6.858 8.152 1.00 0.00 N ATOM 0 H HIS A 27 -3.990 -5.942 6.044 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.703 -8.404 5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.347 -5.578 4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.222 -7.006 4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.920 -8.158 6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.218 -5.222 9.331 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.679 -7.240 8.729 1.00 0.00 H new ATOM 458 N ARG A 28 -3.502 -8.319 4.239 1.00 0.00 N ATOM 459 CA ARG A 28 -2.683 -8.584 3.023 1.00 0.00 C ATOM 460 C ARG A 28 -3.383 -9.617 2.138 1.00 0.00 C ATOM 461 O ARG A 28 -3.324 -9.555 0.928 1.00 0.00 O ATOM 462 CB ARG A 28 -1.305 -9.111 3.439 1.00 0.00 C ATOM 463 CG ARG A 28 -1.462 -10.199 4.504 1.00 0.00 C ATOM 464 CD ARG A 28 -0.103 -10.841 4.782 1.00 0.00 C ATOM 465 NE ARG A 28 0.868 -9.784 5.192 1.00 0.00 N ATOM 466 CZ ARG A 28 1.669 -9.231 4.314 1.00 0.00 C ATOM 467 NH1 ARG A 28 1.614 -9.572 3.052 1.00 0.00 N ATOM 468 NH2 ARG A 28 2.524 -8.329 4.703 1.00 0.00 N ATOM 0 H ARG A 28 -3.115 -8.690 5.107 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.564 -7.657 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.783 -9.513 2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.696 -8.295 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.868 -9.770 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.171 -10.955 4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.196 -11.590 5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.257 -11.356 3.892 1.00 0.00 H new ATOM 0 HE ARG A 28 0.909 -9.488 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.943 -10.275 2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.242 -9.135 2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.567 -8.057 5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.150 -7.894 4.026 1.00 0.00 H new ATOM 482 N TYR A 29 -4.045 -10.570 2.734 1.00 0.00 N ATOM 483 CA TYR A 29 -4.743 -11.612 1.933 1.00 0.00 C ATOM 484 C TYR A 29 -5.812 -10.968 1.048 1.00 0.00 C ATOM 485 O TYR A 29 -5.919 -11.265 -0.126 1.00 0.00 O ATOM 486 CB TYR A 29 -5.412 -12.604 2.885 1.00 0.00 C ATOM 487 CG TYR A 29 -6.202 -13.617 2.089 1.00 0.00 C ATOM 488 CD1 TYR A 29 -5.552 -14.705 1.495 1.00 0.00 C ATOM 489 CD2 TYR A 29 -7.586 -13.465 1.945 1.00 0.00 C ATOM 490 CE1 TYR A 29 -6.287 -15.641 0.757 1.00 0.00 C ATOM 491 CE2 TYR A 29 -8.321 -14.398 1.207 1.00 0.00 C ATOM 492 CZ TYR A 29 -7.671 -15.488 0.614 1.00 0.00 C ATOM 493 OH TYR A 29 -8.397 -16.410 -0.114 1.00 0.00 O ATOM 0 H TYR A 29 -4.132 -10.671 3.745 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.018 -12.125 1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.658 -13.109 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.070 -12.075 3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.484 -14.823 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.087 -12.626 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.786 -16.481 0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.388 -14.278 1.094 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.343 -16.156 -0.113 1.00 0.00 H new ATOM 503 N ASN A 30 -6.615 -10.099 1.602 1.00 0.00 N ATOM 504 CA ASN A 30 -7.693 -9.444 0.803 1.00 0.00 C ATOM 505 C ASN A 30 -7.229 -8.071 0.315 1.00 0.00 C ATOM 506 O ASN A 30 -6.446 -7.963 -0.606 1.00 0.00 O ATOM 507 CB ASN A 30 -8.924 -9.270 1.690 1.00 0.00 C ATOM 508 CG ASN A 30 -9.997 -8.489 0.929 1.00 0.00 C ATOM 509 OD1 ASN A 30 -10.281 -7.354 1.256 1.00 0.00 O ATOM 510 ND2 ASN A 30 -10.606 -9.047 -0.081 1.00 0.00 N ATOM 0 H ASN A 30 -6.570 -9.813 2.580 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.931 -10.065 -0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.311 -10.244 1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.654 -8.741 2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.320 -8.530 -0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.368 -10.000 -0.357 1.00 0.00 H new ATOM 517 N ALA A 31 -7.723 -7.021 0.924 1.00 0.00 N ATOM 518 CA ALA A 31 -7.336 -5.643 0.500 1.00 0.00 C ATOM 519 C ALA A 31 -7.367 -5.564 -1.025 1.00 0.00 C ATOM 520 O ALA A 31 -6.410 -5.164 -1.654 1.00 0.00 O ATOM 521 CB ALA A 31 -5.926 -5.320 1.003 1.00 0.00 C ATOM 0 H ALA A 31 -8.382 -7.062 1.702 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.036 -4.922 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.650 -4.313 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.905 -5.380 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.218 -6.036 0.586 1.00 0.00 H new ATOM 527 N TYR A 32 -8.456 -5.964 -1.629 1.00 0.00 N ATOM 528 CA TYR A 32 -8.531 -5.932 -3.116 1.00 0.00 C ATOM 529 C TYR A 32 -8.867 -4.502 -3.577 1.00 0.00 C ATOM 530 O TYR A 32 -9.270 -3.673 -2.787 1.00 0.00 O ATOM 531 CB TYR A 32 -9.625 -6.930 -3.588 1.00 0.00 C ATOM 532 CG TYR A 32 -8.992 -8.132 -4.265 1.00 0.00 C ATOM 533 CD1 TYR A 32 -7.906 -8.777 -3.664 1.00 0.00 C ATOM 534 CD2 TYR A 32 -9.489 -8.591 -5.492 1.00 0.00 C ATOM 535 CE1 TYR A 32 -7.316 -9.882 -4.284 1.00 0.00 C ATOM 536 CE2 TYR A 32 -8.898 -9.699 -6.114 1.00 0.00 C ATOM 537 CZ TYR A 32 -7.810 -10.343 -5.510 1.00 0.00 C ATOM 538 OH TYR A 32 -7.226 -11.433 -6.123 1.00 0.00 O ATOM 0 H TYR A 32 -9.292 -6.310 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.574 -6.223 -3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.220 -7.257 -2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.306 -6.433 -4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.523 -8.421 -2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.326 -8.092 -5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.479 -10.380 -3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.281 -10.056 -7.058 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.690 -11.622 -6.965 1.00 0.00 H new ATOM 548 N PRO A 33 -8.702 -4.217 -4.850 1.00 0.00 N ATOM 549 CA PRO A 33 -8.996 -2.861 -5.410 1.00 0.00 C ATOM 550 C PRO A 33 -10.405 -2.358 -5.061 1.00 0.00 C ATOM 551 O PRO A 33 -11.380 -3.070 -5.188 1.00 0.00 O ATOM 552 CB PRO A 33 -8.866 -3.057 -6.933 1.00 0.00 C ATOM 553 CG PRO A 33 -7.957 -4.231 -7.099 1.00 0.00 C ATOM 554 CD PRO A 33 -8.205 -5.140 -5.895 1.00 0.00 C ATOM 0 HA PRO A 33 -8.320 -2.111 -4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.838 -3.243 -7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.453 -2.168 -7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.166 -4.755 -8.031 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.915 -3.913 -7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.936 -5.916 -6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.292 -5.645 -5.581 1.00 0.00 H new ATOM 562 N SER A 34 -10.511 -1.127 -4.641 1.00 0.00 N ATOM 563 CA SER A 34 -11.846 -0.562 -4.304 1.00 0.00 C ATOM 564 C SER A 34 -11.727 0.955 -4.138 1.00 0.00 C ATOM 565 O SER A 34 -10.697 1.470 -3.757 1.00 0.00 O ATOM 566 CB SER A 34 -12.356 -1.186 -3.004 1.00 0.00 C ATOM 567 OG SER A 34 -11.763 -0.517 -1.899 1.00 0.00 O ATOM 0 H SER A 34 -9.727 -0.487 -4.517 1.00 0.00 H new ATOM 0 HA SER A 34 -12.549 -0.785 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.442 -1.108 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.111 -2.248 -2.976 1.00 0.00 H new ATOM 0 HG SER A 34 -12.244 -0.751 -1.078 1.00 0.00 H new ATOM 573 N GLU A 35 -12.780 1.669 -4.416 1.00 0.00 N ATOM 574 CA GLU A 35 -12.751 3.150 -4.274 1.00 0.00 C ATOM 575 C GLU A 35 -12.719 3.526 -2.790 1.00 0.00 C ATOM 576 O GLU A 35 -12.056 4.461 -2.387 1.00 0.00 O ATOM 577 CB GLU A 35 -14.004 3.739 -4.925 1.00 0.00 C ATOM 578 CG GLU A 35 -13.966 3.520 -6.449 1.00 0.00 C ATOM 579 CD GLU A 35 -14.430 2.100 -6.793 1.00 0.00 C ATOM 580 OE1 GLU A 35 -14.682 1.337 -5.878 1.00 0.00 O ATOM 581 OE2 GLU A 35 -14.552 1.811 -7.974 1.00 0.00 O ATOM 0 H GLU A 35 -13.669 1.286 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.861 3.547 -4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.895 3.271 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.070 4.805 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.607 4.250 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.954 3.680 -6.821 1.00 0.00 H new ATOM 588 N GLN A 36 -13.442 2.808 -1.975 1.00 0.00 N ATOM 589 CA GLN A 36 -13.466 3.125 -0.521 1.00 0.00 C ATOM 590 C GLN A 36 -12.086 2.874 0.092 1.00 0.00 C ATOM 591 O GLN A 36 -11.595 3.656 0.880 1.00 0.00 O ATOM 592 CB GLN A 36 -14.500 2.227 0.162 1.00 0.00 C ATOM 593 CG GLN A 36 -14.668 2.640 1.628 1.00 0.00 C ATOM 594 CD GLN A 36 -15.292 4.033 1.700 1.00 0.00 C ATOM 595 OE1 GLN A 36 -16.191 4.348 0.944 1.00 0.00 O ATOM 596 NE2 GLN A 36 -14.847 4.890 2.577 1.00 0.00 N ATOM 0 H GLN A 36 -14.018 2.014 -2.255 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.729 4.173 -0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.456 2.300 -0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.184 1.185 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.299 1.920 2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.701 2.637 2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.093 4.626 3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.253 5.824 2.629 1.00 0.00 H new ATOM 605 N GLU A 37 -11.460 1.787 -0.260 1.00 0.00 N ATOM 606 CA GLU A 37 -10.118 1.484 0.308 1.00 0.00 C ATOM 607 C GLU A 37 -9.098 2.498 -0.215 1.00 0.00 C ATOM 608 O GLU A 37 -8.283 3.009 0.526 1.00 0.00 O ATOM 609 CB GLU A 37 -9.711 0.070 -0.120 1.00 0.00 C ATOM 610 CG GLU A 37 -8.390 -0.322 0.544 1.00 0.00 C ATOM 611 CD GLU A 37 -8.598 -0.436 2.053 1.00 0.00 C ATOM 612 OE1 GLU A 37 -9.729 -0.641 2.464 1.00 0.00 O ATOM 613 OE2 GLU A 37 -7.624 -0.308 2.774 1.00 0.00 O ATOM 0 H GLU A 37 -11.820 1.095 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.151 1.545 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.490 -0.640 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.609 0.025 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.035 -1.271 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.625 0.423 0.326 1.00 0.00 H new ATOM 620 N LYS A 38 -9.140 2.800 -1.484 1.00 0.00 N ATOM 621 CA LYS A 38 -8.177 3.787 -2.043 1.00 0.00 C ATOM 622 C LYS A 38 -8.411 5.145 -1.386 1.00 0.00 C ATOM 623 O LYS A 38 -7.485 5.826 -0.994 1.00 0.00 O ATOM 624 CB LYS A 38 -8.398 3.908 -3.551 1.00 0.00 C ATOM 625 CG LYS A 38 -7.874 2.656 -4.256 1.00 0.00 C ATOM 626 CD LYS A 38 -8.163 2.765 -5.755 1.00 0.00 C ATOM 627 CE LYS A 38 -7.530 1.581 -6.486 1.00 0.00 C ATOM 628 NZ LYS A 38 -8.161 0.315 -6.021 1.00 0.00 N ATOM 0 H LYS A 38 -9.799 2.406 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.156 3.457 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.459 4.038 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.887 4.792 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.802 2.550 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.351 1.766 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.239 2.779 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.765 3.702 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.662 1.692 -7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.457 1.555 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.817 -0.477 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.913 0.149 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.194 0.388 -6.113 1.00 0.00 H new ATOM 642 N ALA A 39 -9.645 5.539 -1.252 1.00 0.00 N ATOM 643 CA ALA A 39 -9.941 6.842 -0.610 1.00 0.00 C ATOM 644 C ALA A 39 -9.552 6.778 0.867 1.00 0.00 C ATOM 645 O ALA A 39 -9.036 7.722 1.424 1.00 0.00 O ATOM 646 CB ALA A 39 -11.435 7.135 -0.732 1.00 0.00 C ATOM 0 H ALA A 39 -10.462 5.012 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.373 7.632 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.658 8.093 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.713 7.175 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.002 6.347 -0.237 1.00 0.00 H new ATOM 652 N LEU A 40 -9.801 5.666 1.505 1.00 0.00 N ATOM 653 CA LEU A 40 -9.449 5.547 2.944 1.00 0.00 C ATOM 654 C LEU A 40 -7.931 5.662 3.108 1.00 0.00 C ATOM 655 O LEU A 40 -7.438 6.402 3.933 1.00 0.00 O ATOM 656 CB LEU A 40 -9.907 4.177 3.458 1.00 0.00 C ATOM 657 CG LEU A 40 -9.638 4.053 4.968 1.00 0.00 C ATOM 658 CD1 LEU A 40 -10.502 5.060 5.746 1.00 0.00 C ATOM 659 CD2 LEU A 40 -9.974 2.626 5.420 1.00 0.00 C ATOM 0 H LEU A 40 -10.232 4.839 1.091 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.939 6.340 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.971 4.044 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.382 3.386 2.922 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.588 4.267 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.303 4.962 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.261 6.073 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.556 4.860 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.786 2.529 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.024 2.417 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.351 1.916 4.876 1.00 0.00 H new ATOM 671 N LEU A 41 -7.193 4.928 2.323 1.00 0.00 N ATOM 672 CA LEU A 41 -5.710 4.978 2.417 1.00 0.00 C ATOM 673 C LEU A 41 -5.212 6.347 1.950 1.00 0.00 C ATOM 674 O LEU A 41 -4.299 6.915 2.515 1.00 0.00 O ATOM 675 CB LEU A 41 -5.120 3.879 1.532 1.00 0.00 C ATOM 676 CG LEU A 41 -5.475 2.498 2.110 1.00 0.00 C ATOM 677 CD1 LEU A 41 -5.124 1.422 1.081 1.00 0.00 C ATOM 678 CD2 LEU A 41 -4.699 2.236 3.419 1.00 0.00 C ATOM 0 H LEU A 41 -7.558 4.291 1.615 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.398 4.822 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.508 3.969 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.037 3.991 1.471 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.542 2.471 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.372 0.440 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.691 1.594 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.058 1.464 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.966 1.254 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.628 2.269 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.955 3.000 4.153 1.00 0.00 H new ATOM 690 N SER A 42 -5.807 6.876 0.920 1.00 0.00 N ATOM 691 CA SER A 42 -5.374 8.201 0.406 1.00 0.00 C ATOM 692 C SER A 42 -5.558 9.256 1.497 1.00 0.00 C ATOM 693 O SER A 42 -4.715 10.106 1.697 1.00 0.00 O ATOM 694 CB SER A 42 -6.227 8.567 -0.806 1.00 0.00 C ATOM 695 OG SER A 42 -5.789 9.813 -1.330 1.00 0.00 O ATOM 0 H SER A 42 -6.578 6.445 0.410 1.00 0.00 H new ATOM 0 HA SER A 42 -4.323 8.160 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.149 7.791 -1.568 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.277 8.628 -0.521 1.00 0.00 H new ATOM 0 HG SER A 42 -4.811 9.815 -1.394 1.00 0.00 H new ATOM 701 N GLN A 43 -6.653 9.211 2.204 1.00 0.00 N ATOM 702 CA GLN A 43 -6.893 10.211 3.283 1.00 0.00 C ATOM 703 C GLN A 43 -5.849 10.014 4.394 1.00 0.00 C ATOM 704 O GLN A 43 -5.328 10.962 4.945 1.00 0.00 O ATOM 705 CB GLN A 43 -8.325 9.998 3.841 1.00 0.00 C ATOM 706 CG GLN A 43 -9.239 11.167 3.447 1.00 0.00 C ATOM 707 CD GLN A 43 -9.334 11.240 1.925 1.00 0.00 C ATOM 708 OE1 GLN A 43 -9.120 12.376 1.326 1.00 0.00 O flip ATOM 709 NE2 GLN A 43 -9.601 10.248 1.274 1.00 0.00 N flip ATOM 0 H GLN A 43 -7.395 8.522 2.081 1.00 0.00 H new ATOM 0 HA GLN A 43 -6.803 11.225 2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.735 9.064 3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.288 9.908 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.230 11.031 3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.844 12.102 3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.768 9.359 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.658 10.305 0.257 1.00 0.00 H new ATOM 718 N GLN A 44 -5.545 8.789 4.724 1.00 0.00 N ATOM 719 CA GLN A 44 -4.545 8.531 5.795 1.00 0.00 C ATOM 720 C GLN A 44 -3.173 9.039 5.356 1.00 0.00 C ATOM 721 O GLN A 44 -2.432 9.603 6.135 1.00 0.00 O ATOM 722 CB GLN A 44 -4.467 7.028 6.056 1.00 0.00 C ATOM 723 CG GLN A 44 -5.756 6.562 6.735 1.00 0.00 C ATOM 724 CD GLN A 44 -5.706 5.046 6.923 1.00 0.00 C ATOM 725 OE1 GLN A 44 -5.608 4.308 5.962 1.00 0.00 O ATOM 726 NE2 GLN A 44 -5.764 4.547 8.126 1.00 0.00 N ATOM 0 H GLN A 44 -5.947 7.955 4.297 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.846 9.051 6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.323 6.492 5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.608 6.802 6.688 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.872 7.056 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.620 6.837 6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.846 5.167 8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.727 3.537 8.261 1.00 0.00 H new ATOM 735 N THR A 45 -2.829 8.847 4.115 1.00 0.00 N ATOM 736 CA THR A 45 -1.507 9.318 3.620 1.00 0.00 C ATOM 737 C THR A 45 -1.665 10.716 3.024 1.00 0.00 C ATOM 738 O THR A 45 -0.698 11.381 2.721 1.00 0.00 O ATOM 739 CB THR A 45 -1.010 8.358 2.542 1.00 0.00 C ATOM 740 OG1 THR A 45 -1.880 8.427 1.418 1.00 0.00 O ATOM 741 CG2 THR A 45 -0.998 6.934 3.098 1.00 0.00 C ATOM 0 H THR A 45 -3.410 8.381 3.418 1.00 0.00 H new ATOM 0 HA THR A 45 -0.791 9.351 4.441 1.00 0.00 H new ATOM 0 HB THR A 45 -0.000 8.634 2.238 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.702 7.929 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.643 6.247 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.335 6.886 3.962 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.007 6.652 3.399 1.00 0.00 H new ATOM 749 N HIS A 46 -2.882 11.159 2.847 1.00 0.00 N ATOM 750 CA HIS A 46 -3.120 12.508 2.261 1.00 0.00 C ATOM 751 C HIS A 46 -2.521 12.556 0.854 1.00 0.00 C ATOM 752 O HIS A 46 -2.471 13.592 0.225 1.00 0.00 O ATOM 753 CB HIS A 46 -2.470 13.581 3.145 1.00 0.00 C ATOM 754 CG HIS A 46 -2.815 13.311 4.586 1.00 0.00 C ATOM 755 ND1 HIS A 46 -4.084 13.529 5.092 1.00 0.00 N ATOM 756 CD2 HIS A 46 -2.067 12.837 5.635 1.00 0.00 C ATOM 757 CE1 HIS A 46 -4.065 13.190 6.395 1.00 0.00 C ATOM 758 NE2 HIS A 46 -2.859 12.760 6.776 1.00 0.00 N ATOM 0 H HIS A 46 -3.726 10.639 3.086 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.192 12.700 2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.388 13.574 3.010 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.821 14.571 2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.023 12.565 5.582 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.920 13.257 7.052 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.579 12.443 7.704 1.00 0.00 H new ATOM 766 N LEU A 47 -2.069 11.434 0.355 1.00 0.00 N ATOM 767 CA LEU A 47 -1.467 11.400 -1.013 1.00 0.00 C ATOM 768 C LEU A 47 -2.557 11.184 -2.065 1.00 0.00 C ATOM 769 O LEU A 47 -3.681 10.846 -1.755 1.00 0.00 O ATOM 770 CB LEU A 47 -0.452 10.260 -1.092 1.00 0.00 C ATOM 771 CG LEU A 47 0.769 10.584 -0.217 1.00 0.00 C ATOM 772 CD1 LEU A 47 1.673 9.351 -0.142 1.00 0.00 C ATOM 773 CD2 LEU A 47 1.555 11.777 -0.807 1.00 0.00 C ATOM 0 H LEU A 47 -2.091 10.536 0.838 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.971 12.351 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.911 9.329 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.140 10.110 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 47 0.431 10.855 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.542 9.574 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.119 8.520 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.003 9.080 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.416 11.993 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.896 11.527 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.908 12.653 -0.851 1.00 0.00 H new ATOM 785 N SER A 48 -2.227 11.389 -3.311 1.00 0.00 N ATOM 786 CA SER A 48 -3.232 11.214 -4.395 1.00 0.00 C ATOM 787 C SER A 48 -3.507 9.728 -4.634 1.00 0.00 C ATOM 788 O SER A 48 -2.714 8.873 -4.296 1.00 0.00 O ATOM 789 CB SER A 48 -2.688 11.839 -5.679 1.00 0.00 C ATOM 790 OG SER A 48 -1.534 11.119 -6.096 1.00 0.00 O ATOM 0 H SER A 48 -1.299 11.672 -3.625 1.00 0.00 H new ATOM 0 HA SER A 48 -4.163 11.700 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.448 11.815 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.437 12.886 -5.510 1.00 0.00 H new ATOM 0 HG SER A 48 -1.182 11.515 -6.920 1.00 0.00 H new ATOM 796 N THR A 49 -4.628 9.420 -5.229 1.00 0.00 N ATOM 797 CA THR A 49 -4.971 7.999 -5.511 1.00 0.00 C ATOM 798 C THR A 49 -4.020 7.436 -6.569 1.00 0.00 C ATOM 799 O THR A 49 -3.675 6.274 -6.549 1.00 0.00 O ATOM 800 CB THR A 49 -6.406 7.932 -6.039 1.00 0.00 C ATOM 801 OG1 THR A 49 -6.553 8.854 -7.108 1.00 0.00 O ATOM 802 CG2 THR A 49 -7.382 8.284 -4.916 1.00 0.00 C ATOM 0 H THR A 49 -5.326 10.099 -5.534 1.00 0.00 H new ATOM 0 HA THR A 49 -4.879 7.413 -4.597 1.00 0.00 H new ATOM 0 HB THR A 49 -6.620 6.924 -6.395 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.470 8.814 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.403 8.236 -5.293 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.264 7.575 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.175 9.292 -4.557 1.00 0.00 H new ATOM 810 N LEU A 50 -3.599 8.249 -7.499 1.00 0.00 N ATOM 811 CA LEU A 50 -2.681 7.744 -8.557 1.00 0.00 C ATOM 812 C LEU A 50 -1.368 7.278 -7.926 1.00 0.00 C ATOM 813 O LEU A 50 -0.857 6.226 -8.249 1.00 0.00 O ATOM 814 CB LEU A 50 -2.394 8.874 -9.556 1.00 0.00 C ATOM 815 CG LEU A 50 -1.383 8.409 -10.618 1.00 0.00 C ATOM 816 CD1 LEU A 50 -1.898 7.149 -11.333 1.00 0.00 C ATOM 817 CD2 LEU A 50 -1.178 9.536 -11.637 1.00 0.00 C ATOM 0 H LEU A 50 -3.849 9.235 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.148 6.905 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.321 9.185 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.002 9.743 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.437 8.169 -10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.171 6.833 -12.081 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.040 6.350 -10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.848 7.370 -11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.463 9.216 -12.394 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.129 9.773 -12.114 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.796 10.421 -11.128 1.00 0.00 H new ATOM 829 N GLN A 51 -0.817 8.050 -7.034 1.00 0.00 N ATOM 830 CA GLN A 51 0.465 7.648 -6.393 1.00 0.00 C ATOM 831 C GLN A 51 0.223 6.462 -5.456 1.00 0.00 C ATOM 832 O GLN A 51 0.995 5.525 -5.411 1.00 0.00 O ATOM 833 CB GLN A 51 1.019 8.832 -5.600 1.00 0.00 C ATOM 834 CG GLN A 51 1.438 9.943 -6.567 1.00 0.00 C ATOM 835 CD GLN A 51 1.927 11.153 -5.767 1.00 0.00 C ATOM 836 OE1 GLN A 51 2.013 11.099 -4.557 1.00 0.00 O ATOM 837 NE2 GLN A 51 2.251 12.248 -6.397 1.00 0.00 N ATOM 0 H GLN A 51 -1.199 8.942 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 51 1.183 7.353 -7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.265 9.204 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.873 8.515 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.228 9.587 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.597 10.227 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.178 12.292 -7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.577 13.060 -5.873 1.00 0.00 H new ATOM 846 N VAL A 52 -0.845 6.495 -4.711 1.00 0.00 N ATOM 847 CA VAL A 52 -1.146 5.376 -3.778 1.00 0.00 C ATOM 848 C VAL A 52 -1.434 4.100 -4.577 1.00 0.00 C ATOM 849 O VAL A 52 -0.974 3.028 -4.239 1.00 0.00 O ATOM 850 CB VAL A 52 -2.373 5.739 -2.940 1.00 0.00 C ATOM 851 CG1 VAL A 52 -2.769 4.543 -2.075 1.00 0.00 C ATOM 852 CG2 VAL A 52 -2.044 6.935 -2.041 1.00 0.00 C ATOM 0 H VAL A 52 -1.526 7.254 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.290 5.205 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.200 6.000 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.643 4.800 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.004 3.693 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.942 4.282 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.919 7.193 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.217 6.676 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.762 7.788 -2.659 1.00 0.00 H new ATOM 862 N CYS A 53 -2.200 4.209 -5.628 1.00 0.00 N ATOM 863 CA CYS A 53 -2.531 3.008 -6.443 1.00 0.00 C ATOM 864 C CYS A 53 -1.255 2.407 -7.037 1.00 0.00 C ATOM 865 O CYS A 53 -1.105 1.203 -7.115 1.00 0.00 O ATOM 866 CB CYS A 53 -3.467 3.423 -7.582 1.00 0.00 C ATOM 867 SG CYS A 53 -5.065 3.935 -6.899 1.00 0.00 S ATOM 0 H CYS A 53 -2.612 5.082 -5.958 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.014 2.265 -5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.024 4.241 -8.150 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.605 2.592 -8.274 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.946 5.107 -6.349 1.00 0.00 H new ATOM 873 N ASN A 54 -0.338 3.227 -7.460 1.00 0.00 N ATOM 874 CA ASN A 54 0.922 2.698 -8.056 1.00 0.00 C ATOM 875 C ASN A 54 1.705 1.920 -7.000 1.00 0.00 C ATOM 876 O ASN A 54 2.259 0.866 -7.264 1.00 0.00 O ATOM 877 CB ASN A 54 1.772 3.872 -8.534 1.00 0.00 C ATOM 878 CG ASN A 54 1.106 4.536 -9.739 1.00 0.00 C ATOM 879 OD1 ASN A 54 0.044 3.994 -10.268 1.00 0.00 O flip ATOM 880 ND2 ASN A 54 1.552 5.567 -10.200 1.00 0.00 N flip ATOM 0 H ASN A 54 -0.405 4.244 -7.420 1.00 0.00 H new ATOM 0 HA ASN A 54 0.681 2.039 -8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.893 4.597 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.769 3.525 -8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.382 5.993 -9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.096 6.007 -10.999 1.00 0.00 H new ATOM 887 N TRP A 55 1.751 2.427 -5.797 1.00 0.00 N ATOM 888 CA TRP A 55 2.492 1.720 -4.723 1.00 0.00 C ATOM 889 C TRP A 55 1.893 0.337 -4.535 1.00 0.00 C ATOM 890 O TRP A 55 2.588 -0.644 -4.418 1.00 0.00 O ATOM 891 CB TRP A 55 2.327 2.463 -3.398 1.00 0.00 C ATOM 892 CG TRP A 55 3.230 1.862 -2.362 1.00 0.00 C ATOM 893 CD1 TRP A 55 4.493 2.269 -2.118 1.00 0.00 C ATOM 894 CD2 TRP A 55 2.967 0.766 -1.424 1.00 0.00 C ATOM 895 NE1 TRP A 55 5.026 1.500 -1.098 1.00 0.00 N ATOM 896 CE2 TRP A 55 4.128 0.557 -0.641 1.00 0.00 C ATOM 897 CE3 TRP A 55 1.854 -0.060 -1.182 1.00 0.00 C ATOM 898 CZ2 TRP A 55 4.181 -0.429 0.345 1.00 0.00 C ATOM 899 CZ3 TRP A 55 1.904 -1.056 -0.188 1.00 0.00 C ATOM 900 CH2 TRP A 55 3.067 -1.241 0.569 1.00 0.00 C ATOM 0 H TRP A 55 1.306 3.301 -5.516 1.00 0.00 H new ATOM 0 HA TRP A 55 3.544 1.665 -5.004 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.563 3.519 -3.531 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.290 2.407 -3.066 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.006 3.066 -2.635 1.00 0.00 H new ATOM 0 HE1 TRP A 55 5.970 1.616 -0.728 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.954 0.071 -1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 5.078 -0.563 0.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.041 -1.680 -0.009 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.103 -2.011 1.326 1.00 0.00 H new ATOM 911 N PHE A 56 0.599 0.266 -4.455 1.00 0.00 N ATOM 912 CA PHE A 56 -0.033 -1.055 -4.214 1.00 0.00 C ATOM 913 C PHE A 56 0.156 -2.037 -5.351 1.00 0.00 C ATOM 914 O PHE A 56 0.305 -3.204 -5.088 1.00 0.00 O ATOM 915 CB PHE A 56 -1.536 -0.897 -3.922 1.00 0.00 C ATOM 916 CG PHE A 56 -1.685 -0.508 -2.489 1.00 0.00 C ATOM 917 CD1 PHE A 56 -1.417 -1.456 -1.504 1.00 0.00 C ATOM 918 CD2 PHE A 56 -2.047 0.786 -2.148 1.00 0.00 C ATOM 919 CE1 PHE A 56 -1.513 -1.113 -0.163 1.00 0.00 C ATOM 920 CE2 PHE A 56 -2.143 1.139 -0.812 1.00 0.00 C ATOM 921 CZ PHE A 56 -1.877 0.189 0.189 1.00 0.00 C ATOM 0 H PHE A 56 -0.042 1.054 -4.545 1.00 0.00 H new ATOM 0 HA PHE A 56 0.478 -1.469 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.973 -0.138 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.064 -1.830 -4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.134 -2.460 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.253 1.514 -2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.308 -1.847 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.423 2.146 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.954 0.465 1.230 1.00 0.00 H new ATOM 931 N ILE A 57 0.142 -1.665 -6.601 1.00 0.00 N ATOM 932 CA ILE A 57 0.296 -2.761 -7.611 1.00 0.00 C ATOM 933 C ILE A 57 1.712 -3.329 -7.513 1.00 0.00 C ATOM 934 O ILE A 57 1.896 -4.524 -7.403 1.00 0.00 O ATOM 935 CB ILE A 57 0.008 -2.337 -9.062 1.00 0.00 C ATOM 936 CG1 ILE A 57 -1.343 -1.611 -9.143 1.00 0.00 C ATOM 937 CG2 ILE A 57 -0.075 -3.624 -9.906 1.00 0.00 C ATOM 938 CD1 ILE A 57 -1.547 -1.019 -10.548 1.00 0.00 C ATOM 0 H ILE A 57 0.038 -0.715 -6.957 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.456 -3.512 -7.369 1.00 0.00 H new ATOM 0 HB ILE A 57 0.790 -1.668 -9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.151 -2.305 -8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.382 -0.817 -8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.279 -3.365 -10.945 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.872 -4.161 -9.845 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.877 -4.257 -9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.508 -0.507 -10.591 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.748 -0.309 -10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.529 -1.820 -11.287 1.00 0.00 H new ATOM 950 N ASN A 58 2.719 -2.493 -7.513 1.00 0.00 N ATOM 951 CA ASN A 58 4.101 -3.025 -7.385 1.00 0.00 C ATOM 952 C ASN A 58 4.314 -3.593 -5.971 1.00 0.00 C ATOM 953 O ASN A 58 4.883 -4.653 -5.802 1.00 0.00 O ATOM 954 CB ASN A 58 5.108 -1.904 -7.626 1.00 0.00 C ATOM 955 CG ASN A 58 6.523 -2.469 -7.500 1.00 0.00 C ATOM 956 OD1 ASN A 58 6.769 -3.610 -7.842 1.00 0.00 O ATOM 957 ND2 ASN A 58 7.469 -1.717 -7.011 1.00 0.00 N ATOM 0 H ASN A 58 2.643 -1.479 -7.595 1.00 0.00 H new ATOM 0 HA ASN A 58 4.245 -3.815 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.962 -1.473 -8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.958 -1.101 -6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.415 -2.086 -6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.263 -0.760 -6.724 1.00 0.00 H new ATOM 964 N ALA A 59 3.882 -2.893 -4.949 1.00 0.00 N ATOM 965 CA ALA A 59 4.089 -3.395 -3.558 1.00 0.00 C ATOM 966 C ALA A 59 3.321 -4.704 -3.351 1.00 0.00 C ATOM 967 O ALA A 59 3.808 -5.623 -2.722 1.00 0.00 O ATOM 968 CB ALA A 59 3.586 -2.354 -2.555 1.00 0.00 C ATOM 0 H ALA A 59 3.397 -1.999 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 59 5.153 -3.573 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.738 -2.723 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.137 -1.423 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.524 -2.173 -2.720 1.00 0.00 H new ATOM 974 N ARG A 60 2.133 -4.803 -3.874 1.00 0.00 N ATOM 975 CA ARG A 60 1.358 -6.060 -3.701 1.00 0.00 C ATOM 976 C ARG A 60 2.087 -7.217 -4.384 1.00 0.00 C ATOM 977 O ARG A 60 2.181 -8.300 -3.852 1.00 0.00 O ATOM 978 CB ARG A 60 -0.029 -5.906 -4.327 1.00 0.00 C ATOM 979 CG ARG A 60 -0.897 -4.984 -3.459 1.00 0.00 C ATOM 980 CD ARG A 60 -2.230 -4.744 -4.169 1.00 0.00 C ATOM 981 NE ARG A 60 -2.960 -6.040 -4.262 1.00 0.00 N ATOM 982 CZ ARG A 60 -3.709 -6.444 -3.269 1.00 0.00 C ATOM 983 NH1 ARG A 60 -3.840 -5.700 -2.204 1.00 0.00 N ATOM 984 NH2 ARG A 60 -4.328 -7.591 -3.342 1.00 0.00 N ATOM 0 H ARG A 60 1.667 -4.072 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 60 1.258 -6.267 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.060 -5.495 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.504 -6.882 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.067 -5.436 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.386 -4.037 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.825 -4.014 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.060 -4.334 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.875 -6.613 -5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.358 -4.803 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.424 -6.016 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.228 -8.173 -4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.912 -7.906 -2.567 1.00 0.00 H new ATOM 998 N ARG A 61 2.599 -6.997 -5.564 1.00 0.00 N ATOM 999 CA ARG A 61 3.313 -8.087 -6.285 1.00 0.00 C ATOM 1000 C ARG A 61 4.652 -8.383 -5.603 1.00 0.00 C ATOM 1001 O ARG A 61 5.252 -9.416 -5.823 1.00 0.00 O ATOM 1002 CB ARG A 61 3.561 -7.651 -7.731 1.00 0.00 C ATOM 1003 CG ARG A 61 2.222 -7.546 -8.467 1.00 0.00 C ATOM 1004 CD ARG A 61 2.455 -7.007 -9.881 1.00 0.00 C ATOM 1005 NE ARG A 61 3.286 -7.980 -10.648 1.00 0.00 N ATOM 1006 CZ ARG A 61 3.702 -7.680 -11.849 1.00 0.00 C ATOM 1007 NH1 ARG A 61 3.385 -6.532 -12.386 1.00 0.00 N ATOM 1008 NH2 ARG A 61 4.433 -8.532 -12.515 1.00 0.00 N ATOM 0 H ARG A 61 2.553 -6.107 -6.060 1.00 0.00 H new ATOM 0 HA ARG A 61 2.703 -8.990 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.075 -6.690 -7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.209 -8.369 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.743 -8.524 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.547 -6.887 -7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.501 -6.849 -10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.955 -6.040 -9.836 1.00 0.00 H new ATOM 0 HE ARG A 61 3.529 -8.880 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.811 -5.867 -11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.711 -6.300 -13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.678 -9.430 -12.097 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.759 -8.300 -13.453 1.00 0.00 H new ATOM 1022 N ARG A 62 5.134 -7.479 -4.787 1.00 0.00 N ATOM 1023 CA ARG A 62 6.446 -7.693 -4.096 1.00 0.00 C ATOM 1024 C ARG A 62 6.214 -8.056 -2.626 1.00 0.00 C ATOM 1025 O ARG A 62 7.145 -8.358 -1.906 1.00 0.00 O ATOM 1026 CB ARG A 62 7.257 -6.394 -4.182 1.00 0.00 C ATOM 1027 CG ARG A 62 7.536 -6.038 -5.652 1.00 0.00 C ATOM 1028 CD ARG A 62 8.718 -6.856 -6.190 1.00 0.00 C ATOM 1029 NE ARG A 62 9.026 -6.412 -7.580 1.00 0.00 N ATOM 1030 CZ ARG A 62 9.768 -7.157 -8.349 1.00 0.00 C ATOM 1031 NH1 ARG A 62 10.243 -8.286 -7.897 1.00 0.00 N ATOM 1032 NH2 ARG A 62 10.035 -6.777 -9.569 1.00 0.00 N ATOM 0 H ARG A 62 4.673 -6.596 -4.568 1.00 0.00 H new ATOM 0 HA ARG A 62 6.986 -8.509 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.710 -5.583 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.198 -6.508 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.648 -6.232 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.754 -4.973 -5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.590 -6.722 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.476 -7.919 -6.180 1.00 0.00 H new ATOM 0 HE ARG A 62 8.657 -5.527 -7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.033 -8.583 -6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.824 -8.871 -8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.662 -5.895 -9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.616 -7.362 -10.170 1.00 0.00 H new ATOM 1046 N LEU A 63 4.984 -8.024 -2.172 1.00 0.00 N ATOM 1047 CA LEU A 63 4.684 -8.361 -0.740 1.00 0.00 C ATOM 1048 C LEU A 63 3.869 -9.653 -0.655 1.00 0.00 C ATOM 1049 O LEU A 63 4.330 -10.647 -0.136 1.00 0.00 O ATOM 1050 CB LEU A 63 3.878 -7.219 -0.118 1.00 0.00 C ATOM 1051 CG LEU A 63 4.783 -5.991 0.091 1.00 0.00 C ATOM 1052 CD1 LEU A 63 3.920 -4.785 0.481 1.00 0.00 C ATOM 1053 CD2 LEU A 63 5.820 -6.265 1.205 1.00 0.00 C ATOM 0 H LEU A 63 4.169 -7.778 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 63 5.623 -8.499 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.041 -6.958 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.456 -7.537 0.835 1.00 0.00 H new ATOM 0 HG LEU A 63 5.314 -5.783 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.558 -3.914 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.203 -4.578 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.384 -5.004 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.451 -5.386 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.302 -6.485 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.439 -7.117 0.924 1.00 0.00 H new ATOM 1065 N LEU A 64 2.655 -9.637 -1.142 1.00 0.00 N ATOM 1066 CA LEU A 64 1.787 -10.856 -1.075 1.00 0.00 C ATOM 1067 C LEU A 64 2.607 -12.133 -1.344 1.00 0.00 C ATOM 1068 O LEU A 64 2.727 -12.977 -0.479 1.00 0.00 O ATOM 1069 CB LEU A 64 0.643 -10.723 -2.109 1.00 0.00 C ATOM 1070 CG LEU A 64 -0.639 -10.222 -1.430 1.00 0.00 C ATOM 1071 CD1 LEU A 64 -0.416 -8.806 -0.895 1.00 0.00 C ATOM 1072 CD2 LEU A 64 -1.775 -10.207 -2.457 1.00 0.00 C ATOM 0 H LEU A 64 2.223 -8.827 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 64 1.366 -10.936 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.937 -10.032 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.458 -11.688 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.898 -10.882 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.327 -8.451 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.398 -8.815 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.160 -8.141 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.690 -9.852 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.512 -9.543 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.933 -11.215 -2.840 1.00 0.00 H new ATOM 1084 N PRO A 65 3.157 -12.291 -2.523 1.00 0.00 N ATOM 1085 CA PRO A 65 3.956 -13.507 -2.862 1.00 0.00 C ATOM 1086 C PRO A 65 5.098 -13.726 -1.867 1.00 0.00 C ATOM 1087 O PRO A 65 5.365 -14.832 -1.442 1.00 0.00 O ATOM 1088 CB PRO A 65 4.490 -13.224 -4.286 1.00 0.00 C ATOM 1089 CG PRO A 65 4.299 -11.753 -4.502 1.00 0.00 C ATOM 1090 CD PRO A 65 3.097 -11.350 -3.651 1.00 0.00 C ATOM 0 HA PRO A 65 3.361 -14.419 -2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.541 -13.500 -4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.946 -13.804 -5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.189 -11.197 -4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.121 -11.534 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.168 -10.315 -3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.162 -11.443 -4.204 1.00 0.00 H new ATOM 1098 N ASP A 66 5.768 -12.679 -1.490 1.00 0.00 N ATOM 1099 CA ASP A 66 6.887 -12.815 -0.525 1.00 0.00 C ATOM 1100 C ASP A 66 6.355 -13.273 0.836 1.00 0.00 C ATOM 1101 O ASP A 66 6.906 -14.156 1.463 1.00 0.00 O ATOM 1102 CB ASP A 66 7.572 -11.460 -0.377 1.00 0.00 C ATOM 1103 CG ASP A 66 8.752 -11.584 0.586 1.00 0.00 C ATOM 1104 OD1 ASP A 66 8.916 -12.649 1.156 1.00 0.00 O ATOM 1105 OD2 ASP A 66 9.474 -10.611 0.730 1.00 0.00 O ATOM 0 H ASP A 66 5.587 -11.728 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 66 7.598 -13.556 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.918 -11.108 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.862 -10.721 -0.005 1.00 0.00 H new ATOM 1110 N MET A 67 5.295 -12.675 1.305 1.00 0.00 N ATOM 1111 CA MET A 67 4.739 -13.073 2.627 1.00 0.00 C ATOM 1112 C MET A 67 4.082 -14.450 2.529 1.00 0.00 C ATOM 1113 O MET A 67 4.184 -15.259 3.426 1.00 0.00 O ATOM 1114 CB MET A 67 3.701 -12.036 3.070 1.00 0.00 C ATOM 1115 CG MET A 67 3.208 -12.359 4.487 1.00 0.00 C ATOM 1116 SD MET A 67 4.570 -12.165 5.668 1.00 0.00 S ATOM 1117 CE MET A 67 4.406 -10.381 5.928 1.00 0.00 C ATOM 0 H MET A 67 4.790 -11.927 0.829 1.00 0.00 H new ATOM 0 HA MET A 67 5.547 -13.121 3.357 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.139 -11.038 3.047 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.861 -12.031 2.376 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.384 -11.697 4.755 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.823 -13.378 4.525 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.104 -10.060 6.701 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.627 -9.856 4.999 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.388 -10.151 6.241 1.00 0.00 H new ATOM 1127 N LEU A 68 3.394 -14.721 1.454 1.00 0.00 N ATOM 1128 CA LEU A 68 2.723 -16.045 1.319 1.00 0.00 C ATOM 1129 C LEU A 68 3.767 -17.163 1.323 1.00 0.00 C ATOM 1130 O LEU A 68 3.619 -18.161 2.001 1.00 0.00 O ATOM 1131 CB LEU A 68 1.950 -16.074 -0.005 1.00 0.00 C ATOM 1132 CG LEU A 68 0.717 -15.152 0.074 1.00 0.00 C ATOM 1133 CD1 LEU A 68 0.200 -14.887 -1.342 1.00 0.00 C ATOM 1134 CD2 LEU A 68 -0.402 -15.813 0.903 1.00 0.00 C ATOM 0 H LEU A 68 3.268 -14.086 0.666 1.00 0.00 H new ATOM 0 HA LEU A 68 2.040 -16.195 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.600 -15.755 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.636 -17.094 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 68 1.006 -14.217 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.672 -14.235 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.981 -14.406 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.077 -15.831 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.264 -15.147 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.694 -16.754 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.041 -16.006 1.913 1.00 0.00 H new ATOM 1146 N ARG A 69 4.826 -17.007 0.582 1.00 0.00 N ATOM 1147 CA ARG A 69 5.878 -18.059 0.556 1.00 0.00 C ATOM 1148 C ARG A 69 6.639 -18.031 1.887 1.00 0.00 C ATOM 1149 O ARG A 69 6.979 -19.055 2.442 1.00 0.00 O ATOM 1150 CB ARG A 69 6.830 -17.777 -0.622 1.00 0.00 C ATOM 1151 CG ARG A 69 6.363 -18.541 -1.870 1.00 0.00 C ATOM 1152 CD ARG A 69 4.991 -18.021 -2.304 1.00 0.00 C ATOM 1153 NE ARG A 69 4.556 -18.741 -3.536 1.00 0.00 N ATOM 1154 CZ ARG A 69 3.881 -19.857 -3.451 1.00 0.00 C ATOM 1155 NH1 ARG A 69 3.592 -20.365 -2.282 1.00 0.00 N ATOM 1156 NH2 ARG A 69 3.497 -20.468 -4.537 1.00 0.00 N ATOM 0 H ARG A 69 5.009 -16.195 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 69 5.435 -19.046 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.858 -16.707 -0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.845 -18.077 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.084 -18.414 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.308 -19.608 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.264 -18.171 -1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.039 -16.949 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 69 4.787 -18.359 -4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.893 -19.890 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.065 -21.236 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.724 -20.075 -5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.970 -21.339 -4.473 1.00 0.00 H new ATOM 1170 N LYS A 70 6.911 -16.863 2.402 1.00 0.00 N ATOM 1171 CA LYS A 70 7.647 -16.772 3.690 1.00 0.00 C ATOM 1172 C LYS A 70 6.800 -17.384 4.805 1.00 0.00 C ATOM 1173 O LYS A 70 7.284 -18.136 5.627 1.00 0.00 O ATOM 1174 CB LYS A 70 7.928 -15.304 4.005 1.00 0.00 C ATOM 1175 CG LYS A 70 8.802 -15.217 5.255 1.00 0.00 C ATOM 1176 CD LYS A 70 9.117 -13.751 5.555 1.00 0.00 C ATOM 1177 CE LYS A 70 10.007 -13.668 6.795 1.00 0.00 C ATOM 1178 NZ LYS A 70 10.310 -12.241 7.098 1.00 0.00 N ATOM 0 H LYS A 70 6.654 -15.969 1.984 1.00 0.00 H new ATOM 0 HA LYS A 70 8.589 -17.315 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.430 -14.828 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.992 -14.768 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.289 -15.671 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.726 -15.775 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.618 -13.293 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.194 -13.195 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.508 -14.133 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.932 -14.219 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.916 -12.186 7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.803 -11.812 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.423 -11.728 7.275 1.00 0.00 H new ATOM 1192 N ASP A 71 5.532 -17.075 4.837 1.00 0.00 N ATOM 1193 CA ASP A 71 4.652 -17.644 5.891 1.00 0.00 C ATOM 1194 C ASP A 71 4.211 -19.049 5.471 1.00 0.00 C ATOM 1195 O ASP A 71 3.578 -19.761 6.224 1.00 0.00 O ATOM 1196 CB ASP A 71 3.427 -16.745 6.061 1.00 0.00 C ATOM 1197 CG ASP A 71 3.859 -15.406 6.662 1.00 0.00 C ATOM 1198 OD1 ASP A 71 4.967 -15.338 7.172 1.00 0.00 O ATOM 1199 OD2 ASP A 71 3.076 -14.473 6.605 1.00 0.00 O ATOM 0 H ASP A 71 5.069 -16.451 4.176 1.00 0.00 H new ATOM 0 HA ASP A 71 5.191 -17.702 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.943 -16.585 5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.695 -17.228 6.709 1.00 0.00 H new ATOM 1204 N GLY A 72 4.545 -19.453 4.274 1.00 0.00 N ATOM 1205 CA GLY A 72 4.148 -20.811 3.808 1.00 0.00 C ATOM 1206 C GLY A 72 2.650 -20.831 3.493 1.00 0.00 C ATOM 1207 O GLY A 72 2.016 -21.866 3.529 1.00 0.00 O ATOM 0 H GLY A 72 5.075 -18.901 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.720 -21.083 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.378 -21.551 4.575 1.00 0.00 H new ATOM 1211 N LYS A 73 2.085 -19.693 3.185 1.00 0.00 N ATOM 1212 CA LYS A 73 0.627 -19.626 2.865 1.00 0.00 C ATOM 1213 C LYS A 73 -0.184 -19.658 4.168 1.00 0.00 C ATOM 1214 O LYS A 73 -1.134 -20.402 4.303 1.00 0.00 O ATOM 1215 CB LYS A 73 0.230 -20.812 1.953 1.00 0.00 C ATOM 1216 CG LYS A 73 -0.834 -20.373 0.934 1.00 0.00 C ATOM 1217 CD LYS A 73 -2.103 -19.943 1.668 1.00 0.00 C ATOM 1218 CE LYS A 73 -3.180 -19.565 0.650 1.00 0.00 C ATOM 1219 NZ LYS A 73 -4.435 -19.211 1.370 1.00 0.00 N ATOM 0 H LYS A 73 2.575 -18.799 3.141 1.00 0.00 H new ATOM 0 HA LYS A 73 0.414 -18.697 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.110 -21.187 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.155 -21.632 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.455 -19.549 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.057 -21.193 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.459 -20.752 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.889 -19.095 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.845 -18.723 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.360 -20.396 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.170 -18.953 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.756 -20.027 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.257 -18.405 2.003 1.00 0.00 H new ATOM 1233 N ASP A 74 0.176 -18.842 5.122 1.00 0.00 N ATOM 1234 CA ASP A 74 -0.574 -18.803 6.411 1.00 0.00 C ATOM 1235 C ASP A 74 -0.459 -17.399 7.005 1.00 0.00 C ATOM 1236 O ASP A 74 -0.067 -17.233 8.143 1.00 0.00 O ATOM 1237 CB ASP A 74 0.022 -19.817 7.389 1.00 0.00 C ATOM 1238 CG ASP A 74 0.198 -21.165 6.687 1.00 0.00 C ATOM 1239 OD1 ASP A 74 -0.765 -21.913 6.631 1.00 0.00 O ATOM 1240 OD2 ASP A 74 1.293 -21.426 6.217 1.00 0.00 O ATOM 0 H ASP A 74 0.963 -18.196 5.063 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.621 -19.051 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.983 -19.460 7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.630 -19.929 8.255 1.00 0.00 H new ATOM 1245 N PRO A 75 -0.787 -16.395 6.234 1.00 0.00 N ATOM 1246 CA PRO A 75 -0.705 -14.977 6.692 1.00 0.00 C ATOM 1247 C PRO A 75 -1.655 -14.697 7.861 1.00 0.00 C ATOM 1248 O PRO A 75 -2.766 -15.187 7.901 1.00 0.00 O ATOM 1249 CB PRO A 75 -1.092 -14.158 5.444 1.00 0.00 C ATOM 1250 CG PRO A 75 -1.846 -15.107 4.562 1.00 0.00 C ATOM 1251 CD PRO A 75 -1.277 -16.499 4.848 1.00 0.00 C ATOM 0 HA PRO A 75 0.286 -14.724 7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.707 -13.299 5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.207 -13.771 4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.914 -15.072 4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.722 -14.844 3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.039 -17.272 4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.474 -16.754 4.157 1.00 0.00 H new ATOM 1259 N ASN A 76 -1.226 -13.911 8.813 1.00 0.00 N ATOM 1260 CA ASN A 76 -2.101 -13.599 9.980 1.00 0.00 C ATOM 1261 C ASN A 76 -2.842 -12.283 9.734 1.00 0.00 C ATOM 1262 O ASN A 76 -2.334 -11.213 9.997 1.00 0.00 O ATOM 1263 CB ASN A 76 -1.233 -13.478 11.233 1.00 0.00 C ATOM 1264 CG ASN A 76 -0.731 -14.869 11.624 1.00 0.00 C ATOM 1265 OD1 ASN A 76 -1.285 -15.867 11.203 1.00 0.00 O ATOM 1266 ND2 ASN A 76 0.299 -14.980 12.414 1.00 0.00 N ATOM 0 H ASN A 76 -0.306 -13.471 8.832 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.832 -14.396 10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.391 -12.812 11.045 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.808 -13.042 12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.641 -15.904 12.679 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.764 -14.143 12.767 1.00 0.00 H new ATOM 1273 N GLN A 77 -4.047 -12.360 9.242 1.00 0.00 N ATOM 1274 CA GLN A 77 -4.842 -11.122 8.985 1.00 0.00 C ATOM 1275 C GLN A 77 -5.710 -10.834 10.209 1.00 0.00 C ATOM 1276 O GLN A 77 -6.317 -9.788 10.328 1.00 0.00 O ATOM 1277 CB GLN A 77 -5.733 -11.344 7.757 1.00 0.00 C ATOM 1278 CG GLN A 77 -6.655 -12.551 7.985 1.00 0.00 C ATOM 1279 CD GLN A 77 -7.865 -12.133 8.821 1.00 0.00 C ATOM 1280 OE1 GLN A 77 -7.923 -12.403 10.004 1.00 0.00 O ATOM 1281 NE2 GLN A 77 -8.840 -11.482 8.251 1.00 0.00 N ATOM 0 H GLN A 77 -4.520 -13.232 9.005 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.178 -10.277 8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.329 -10.452 7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.115 -11.510 6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.985 -12.953 7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.109 -13.346 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.790 -11.256 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.653 -11.199 8.798 1.00 0.00 H new ATOM 1290 N PHE A 78 -5.772 -11.764 11.120 1.00 0.00 N ATOM 1291 CA PHE A 78 -6.593 -11.570 12.346 1.00 0.00 C ATOM 1292 C PHE A 78 -6.004 -10.445 13.200 1.00 0.00 C ATOM 1293 O PHE A 78 -6.720 -9.656 13.780 1.00 0.00 O ATOM 1294 CB PHE A 78 -6.587 -12.864 13.160 1.00 0.00 C ATOM 1295 CG PHE A 78 -7.309 -13.946 12.394 1.00 0.00 C ATOM 1296 CD1 PHE A 78 -8.695 -14.087 12.519 1.00 0.00 C ATOM 1297 CD2 PHE A 78 -6.589 -14.813 11.564 1.00 0.00 C ATOM 1298 CE1 PHE A 78 -9.363 -15.093 11.807 1.00 0.00 C ATOM 1299 CE2 PHE A 78 -7.255 -15.817 10.854 1.00 0.00 C ATOM 1300 CZ PHE A 78 -8.642 -15.959 10.978 1.00 0.00 C ATOM 0 H PHE A 78 -5.284 -12.658 11.067 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.611 -11.308 12.057 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.562 -13.172 13.365 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.070 -12.702 14.124 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.250 -13.421 13.163 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.518 -14.707 11.472 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -10.434 -15.199 11.898 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.699 -16.483 10.210 1.00 0.00 H new ATOM 0 HZ PHE A 78 -9.156 -16.737 10.433 1.00 0.00 H new ATOM 1310 N THR A 79 -4.706 -10.377 13.304 1.00 0.00 N ATOM 1311 CA THR A 79 -4.085 -9.317 14.147 1.00 0.00 C ATOM 1312 C THR A 79 -4.420 -7.930 13.596 1.00 0.00 C ATOM 1313 O THR A 79 -4.358 -7.687 12.408 1.00 0.00 O ATOM 1314 CB THR A 79 -2.569 -9.505 14.164 1.00 0.00 C ATOM 1315 OG1 THR A 79 -2.065 -9.412 12.838 1.00 0.00 O ATOM 1316 CG2 THR A 79 -2.234 -10.877 14.746 1.00 0.00 C ATOM 0 H THR A 79 -4.050 -11.007 12.843 1.00 0.00 H new ATOM 0 HA THR A 79 -4.480 -9.397 15.160 1.00 0.00 H new ATOM 0 HB THR A 79 -2.112 -8.730 14.779 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.706 -8.927 12.278 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.153 -11.013 14.759 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.620 -10.945 15.763 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.690 -11.654 14.132 1.00 0.00 H new ATOM 1324 N ILE A 80 -4.765 -7.015 14.461 1.00 0.00 N ATOM 1325 CA ILE A 80 -5.099 -5.634 14.017 1.00 0.00 C ATOM 1326 C ILE A 80 -3.810 -4.885 13.684 1.00 0.00 C ATOM 1327 O ILE A 80 -3.819 -3.891 12.986 1.00 0.00 O ATOM 1328 CB ILE A 80 -5.831 -4.915 15.148 1.00 0.00 C ATOM 1329 CG1 ILE A 80 -7.173 -5.605 15.398 1.00 0.00 C ATOM 1330 CG2 ILE A 80 -6.068 -3.452 14.766 1.00 0.00 C ATOM 1331 CD1 ILE A 80 -7.780 -5.079 16.699 1.00 0.00 C ATOM 0 H ILE A 80 -4.830 -7.169 15.467 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.734 -5.670 13.132 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.225 -4.952 16.054 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.851 -5.418 14.566 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.034 -6.684 15.459 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.591 -2.944 15.577 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.110 -2.962 14.589 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.672 -3.406 13.860 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.737 -5.570 16.879 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.103 -5.289 17.527 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.934 -4.003 16.620 1.00 0.00 H new ATOM 1343 N SER A 81 -2.699 -5.352 14.186 1.00 0.00 N ATOM 1344 CA SER A 81 -1.403 -4.670 13.905 1.00 0.00 C ATOM 1345 C SER A 81 -0.269 -5.699 13.977 1.00 0.00 C ATOM 1346 O SER A 81 0.391 -5.845 14.986 1.00 0.00 O ATOM 1347 CB SER A 81 -1.173 -3.568 14.941 1.00 0.00 C ATOM 1348 OG SER A 81 0.083 -2.949 14.701 1.00 0.00 O ATOM 0 H SER A 81 -2.633 -6.178 14.780 1.00 0.00 H new ATOM 0 HA SER A 81 -1.426 -4.225 12.910 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.972 -2.829 14.885 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.198 -3.988 15.946 1.00 0.00 H new ATOM 0 HG SER A 81 0.231 -2.242 15.363 1.00 0.00 H new ATOM 1354 N ARG A 82 -0.047 -6.413 12.908 1.00 0.00 N ATOM 1355 CA ARG A 82 1.035 -7.439 12.889 1.00 0.00 C ATOM 1356 C ARG A 82 2.397 -6.757 13.016 1.00 0.00 C ATOM 1357 O ARG A 82 3.267 -7.211 13.729 1.00 0.00 O ATOM 1358 CB ARG A 82 0.960 -8.208 11.567 1.00 0.00 C ATOM 1359 CG ARG A 82 2.007 -9.325 11.549 1.00 0.00 C ATOM 1360 CD ARG A 82 1.892 -10.116 10.242 1.00 0.00 C ATOM 1361 NE ARG A 82 2.911 -11.205 10.238 1.00 0.00 N ATOM 1362 CZ ARG A 82 3.179 -11.850 9.135 1.00 0.00 C ATOM 1363 NH1 ARG A 82 2.557 -11.546 8.029 1.00 0.00 N ATOM 1364 NH2 ARG A 82 4.072 -12.804 9.141 1.00 0.00 N ATOM 0 H ARG A 82 -0.574 -6.329 12.039 1.00 0.00 H new ATOM 0 HA ARG A 82 0.908 -8.127 13.725 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.037 -8.631 11.439 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.128 -7.528 10.732 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.007 -8.901 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.861 -9.988 12.401 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.891 -10.537 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.044 -9.456 9.388 1.00 0.00 H new ATOM 0 HE ARG A 82 3.400 -11.447 11.100 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.859 -10.802 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.769 -12.052 7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.557 -13.043 10.006 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.284 -13.310 8.281 1.00 0.00 H new ATOM 1378 N ARG A 83 2.588 -5.670 12.324 1.00 0.00 N ATOM 1379 CA ARG A 83 3.889 -4.958 12.403 1.00 0.00 C ATOM 1380 C ARG A 83 4.096 -4.445 13.831 1.00 0.00 C ATOM 1381 O ARG A 83 5.174 -4.529 14.381 1.00 0.00 O ATOM 1382 CB ARG A 83 3.860 -3.777 11.428 1.00 0.00 C ATOM 1383 CG ARG A 83 3.908 -4.276 9.967 1.00 0.00 C ATOM 1384 CD ARG A 83 5.358 -4.470 9.514 1.00 0.00 C ATOM 1385 NE ARG A 83 6.037 -3.143 9.499 1.00 0.00 N ATOM 1386 CZ ARG A 83 7.279 -3.047 9.119 1.00 0.00 C ATOM 1387 NH1 ARG A 83 7.935 -4.111 8.748 1.00 0.00 N ATOM 1388 NH2 ARG A 83 7.865 -1.881 9.108 1.00 0.00 N ATOM 0 H ARG A 83 1.897 -5.244 11.706 1.00 0.00 H new ATOM 0 HA ARG A 83 4.705 -5.631 12.142 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.956 -3.189 11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.707 -3.118 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.365 -5.217 9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.410 -3.559 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.876 -5.152 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.387 -4.920 8.522 1.00 0.00 H new ATOM 0 HE ARG A 83 5.527 -2.308 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.476 -5.022 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.908 -4.033 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.350 -1.049 9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.838 -1.802 8.811 1.00 0.00 H new ATOM 1402 N GLY A 84 3.066 -3.920 14.438 1.00 0.00 N ATOM 1403 CA GLY A 84 3.200 -3.413 15.833 1.00 0.00 C ATOM 1404 C GLY A 84 4.304 -2.357 15.895 1.00 0.00 C ATOM 1405 O GLY A 84 4.879 -2.112 16.936 1.00 0.00 O ATOM 0 H GLY A 84 2.138 -3.820 14.028 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.255 -2.985 16.167 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.433 -4.236 16.508 1.00 0.00 H new ATOM 1409 N ALA A 85 4.615 -1.733 14.796 1.00 0.00 N ATOM 1410 CA ALA A 85 5.691 -0.705 14.814 1.00 0.00 C ATOM 1411 C ALA A 85 5.168 0.593 15.438 1.00 0.00 C ATOM 1412 O ALA A 85 4.462 1.352 14.808 1.00 0.00 O ATOM 1413 CB ALA A 85 6.146 -0.431 13.381 1.00 0.00 C ATOM 0 H ALA A 85 4.174 -1.889 13.890 1.00 0.00 H new ATOM 0 HA ALA A 85 6.529 -1.072 15.407 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.934 0.322 13.387 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.526 -1.351 12.938 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.302 -0.068 12.795 1.00 0.00 H new ATOM 1419 N LYS A 86 5.517 0.859 16.670 1.00 0.00 N ATOM 1420 CA LYS A 86 5.047 2.113 17.326 1.00 0.00 C ATOM 1421 C LYS A 86 6.004 2.479 18.466 1.00 0.00 C ATOM 1422 O LYS A 86 6.085 1.795 19.465 1.00 0.00 O ATOM 1423 CB LYS A 86 3.632 1.910 17.881 1.00 0.00 C ATOM 1424 CG LYS A 86 3.117 3.232 18.456 1.00 0.00 C ATOM 1425 CD LYS A 86 1.667 3.061 18.915 1.00 0.00 C ATOM 1426 CE LYS A 86 1.150 4.387 19.477 1.00 0.00 C ATOM 1427 NZ LYS A 86 -0.273 4.230 19.888 1.00 0.00 N ATOM 0 H LYS A 86 6.107 0.262 17.249 1.00 0.00 H new ATOM 0 HA LYS A 86 5.029 2.920 16.594 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.967 1.560 17.092 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.640 1.142 18.655 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.740 3.543 19.294 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.181 4.017 17.703 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.045 2.741 18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.604 2.282 19.675 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.755 4.693 20.331 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.238 5.172 18.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.625 5.131 20.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.844 3.957 19.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.344 3.493 20.618 1.00 0.00 H new ATOM 1441 N ILE A 87 6.730 3.554 18.317 1.00 0.00 N ATOM 1442 CA ILE A 87 7.689 3.981 19.381 1.00 0.00 C ATOM 1443 C ILE A 87 8.513 2.786 19.878 1.00 0.00 C ATOM 1444 O ILE A 87 9.592 2.521 19.394 1.00 0.00 O ATOM 1445 CB ILE A 87 6.925 4.590 20.558 1.00 0.00 C ATOM 1446 CG1 ILE A 87 6.183 5.843 20.088 1.00 0.00 C ATOM 1447 CG2 ILE A 87 7.912 4.976 21.665 1.00 0.00 C ATOM 1448 CD1 ILE A 87 5.224 6.313 21.184 1.00 0.00 C ATOM 0 H ILE A 87 6.701 4.161 17.498 1.00 0.00 H new ATOM 0 HA ILE A 87 8.363 4.725 18.955 1.00 0.00 H new ATOM 0 HB ILE A 87 6.211 3.861 20.942 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.896 6.633 19.851 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.630 5.629 19.174 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.367 5.410 22.503 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.447 4.088 22.001 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.625 5.705 21.279 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.696 7.206 20.848 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.503 5.525 21.399 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.789 6.544 22.087 1.00 0.00 H new ATOM 1460 N SER A 88 8.022 2.083 20.863 1.00 0.00 N ATOM 1461 CA SER A 88 8.785 0.929 21.417 1.00 0.00 C ATOM 1462 C SER A 88 8.783 -0.243 20.435 1.00 0.00 C ATOM 1463 O SER A 88 7.869 -0.420 19.659 1.00 0.00 O ATOM 1464 CB SER A 88 8.134 0.494 22.732 1.00 0.00 C ATOM 1465 OG SER A 88 8.489 1.417 23.753 1.00 0.00 O ATOM 0 H SER A 88 7.122 2.260 21.309 1.00 0.00 H new ATOM 0 HA SER A 88 9.818 1.233 21.587 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.050 0.455 22.620 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.463 -0.510 23.001 1.00 0.00 H new ATOM 0 HG SER A 88 8.074 1.145 24.598 1.00 0.00 H new ATOM 1471 N GLU A 89 9.808 -1.055 20.480 1.00 0.00 N ATOM 1472 CA GLU A 89 9.882 -2.231 19.569 1.00 0.00 C ATOM 1473 C GLU A 89 10.795 -3.285 20.197 1.00 0.00 C ATOM 1474 O GLU A 89 10.279 -4.158 20.873 1.00 0.00 O ATOM 1475 CB GLU A 89 10.454 -1.807 18.214 1.00 0.00 C ATOM 1476 CG GLU A 89 10.493 -3.015 17.272 1.00 0.00 C ATOM 1477 CD GLU A 89 10.991 -2.572 15.897 1.00 0.00 C ATOM 1478 OE1 GLU A 89 11.480 -1.460 15.795 1.00 0.00 O ATOM 1479 OE2 GLU A 89 10.873 -3.354 14.966 1.00 0.00 O ATOM 1480 OXT GLU A 89 11.994 -3.196 19.995 1.00 0.00 O ATOM 0 H GLU A 89 10.601 -0.951 21.114 1.00 0.00 H new ATOM 0 HA GLU A 89 8.883 -2.640 19.420 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.842 -1.015 17.781 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.457 -1.401 18.342 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.149 -3.785 17.678 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.500 -3.455 17.186 1.00 0.00 H new TER 1487 GLU A 89