USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot 20:sc= -0.858 USER MOD Set 1.2: A 50 THR OG1 : rot 90:sc= -0.516 USER MOD Set 2.1: A 16 TYR OH : rot 127:sc= -0.151 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -1.06 K(o=-1.2,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.02 K(o=-1,f=-0.17) USER MOD Single : A 9 MET CE :methyl 177:sc= -4.87! (180deg=-5.03!) USER MOD Single : A 14 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.1) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -3.92! C(o=-3.9!,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.025 4.389 2.837 1.00 0.00 N ATOM 2 CA GLY A 1 16.690 4.916 2.619 1.00 0.00 C ATOM 3 C GLY A 1 15.675 3.826 2.339 1.00 0.00 C ATOM 4 O GLY A 1 14.907 3.915 1.380 1.00 0.00 O ATOM 0 H1 GLY A 1 18.682 5.173 3.024 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.015 3.744 3.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.336 3.871 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.378 5.482 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.710 5.613 1.781 1.00 0.00 H new ATOM 8 N SER A 2 15.671 2.793 3.175 1.00 0.00 N ATOM 9 CA SER A 2 14.747 1.678 3.010 1.00 0.00 C ATOM 10 C SER A 2 14.931 1.017 1.647 1.00 0.00 C ATOM 11 O SER A 2 13.959 0.665 0.979 1.00 0.00 O ATOM 12 CB SER A 2 13.302 2.159 3.165 1.00 0.00 C ATOM 13 OG SER A 2 13.062 2.637 4.477 1.00 0.00 O ATOM 0 H SER A 2 16.298 2.705 3.974 1.00 0.00 H new ATOM 0 HA SER A 2 14.963 0.941 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.099 2.950 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.617 1.341 2.942 1.00 0.00 H new ATOM 0 HG SER A 2 12.133 2.940 4.550 1.00 0.00 H new ATOM 19 N SER A 3 16.186 0.852 1.242 1.00 0.00 N ATOM 20 CA SER A 3 16.500 0.237 -0.042 1.00 0.00 C ATOM 21 C SER A 3 17.118 -1.144 0.153 1.00 0.00 C ATOM 22 O SER A 3 17.812 -1.392 1.138 1.00 0.00 O ATOM 23 CB SER A 3 17.456 1.128 -0.838 1.00 0.00 C ATOM 24 OG SER A 3 16.766 2.213 -1.433 1.00 0.00 O ATOM 0 H SER A 3 17.002 1.136 1.785 1.00 0.00 H new ATOM 0 HA SER A 3 15.570 0.124 -0.599 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.238 1.507 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.949 0.538 -1.611 1.00 0.00 H new ATOM 0 HG SER A 3 17.399 2.768 -1.934 1.00 0.00 H new ATOM 30 N GLY A 4 16.859 -2.041 -0.794 1.00 0.00 N ATOM 31 CA GLY A 4 17.396 -3.386 -0.708 1.00 0.00 C ATOM 32 C GLY A 4 16.319 -4.428 -0.480 1.00 0.00 C ATOM 33 O GLY A 4 16.121 -5.318 -1.307 1.00 0.00 O ATOM 0 H GLY A 4 16.287 -1.860 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.933 -3.619 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.120 -3.433 0.105 1.00 0.00 H new ATOM 37 N SER A 5 15.620 -4.318 0.645 1.00 0.00 N ATOM 38 CA SER A 5 14.561 -5.261 0.982 1.00 0.00 C ATOM 39 C SER A 5 13.262 -4.895 0.271 1.00 0.00 C ATOM 40 O SER A 5 12.674 -3.844 0.527 1.00 0.00 O ATOM 41 CB SER A 5 14.336 -5.288 2.495 1.00 0.00 C ATOM 42 OG SER A 5 15.493 -5.743 3.175 1.00 0.00 O ATOM 0 H SER A 5 15.768 -3.585 1.339 1.00 0.00 H new ATOM 0 HA SER A 5 14.871 -6.252 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.074 -4.289 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.493 -5.939 2.729 1.00 0.00 H new ATOM 0 HG SER A 5 15.324 -5.749 4.140 1.00 0.00 H new ATOM 48 N SER A 6 12.819 -5.771 -0.626 1.00 0.00 N ATOM 49 CA SER A 6 11.592 -5.540 -1.379 1.00 0.00 C ATOM 50 C SER A 6 10.636 -6.721 -1.236 1.00 0.00 C ATOM 51 O SER A 6 10.984 -7.749 -0.656 1.00 0.00 O ATOM 52 CB SER A 6 11.911 -5.304 -2.856 1.00 0.00 C ATOM 53 OG SER A 6 12.430 -4.002 -3.064 1.00 0.00 O ATOM 0 H SER A 6 13.292 -6.647 -0.849 1.00 0.00 H new ATOM 0 HA SER A 6 11.108 -4.652 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.633 -6.046 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.009 -5.439 -3.452 1.00 0.00 H new ATOM 0 HG SER A 6 12.627 -3.877 -4.016 1.00 0.00 H new ATOM 59 N GLY A 7 9.429 -6.566 -1.771 1.00 0.00 N ATOM 60 CA GLY A 7 8.441 -7.626 -1.693 1.00 0.00 C ATOM 61 C GLY A 7 7.222 -7.347 -2.550 1.00 0.00 C ATOM 62 O GLY A 7 7.066 -7.923 -3.625 1.00 0.00 O ATOM 0 H GLY A 7 9.118 -5.725 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.895 -8.566 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.131 -7.754 -0.656 1.00 0.00 H new ATOM 66 N ASN A 8 6.355 -6.461 -2.071 1.00 0.00 N ATOM 67 CA ASN A 8 5.142 -6.108 -2.800 1.00 0.00 C ATOM 68 C ASN A 8 5.028 -4.596 -2.968 1.00 0.00 C ATOM 69 O ASN A 8 4.973 -3.855 -1.987 1.00 0.00 O ATOM 70 CB ASN A 8 3.909 -6.645 -2.070 1.00 0.00 C ATOM 71 CG ASN A 8 4.112 -6.720 -0.569 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.340 -7.795 -0.014 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.031 -5.573 0.097 1.00 0.00 N ATOM 0 H ASN A 8 6.470 -5.975 -1.182 1.00 0.00 H new ATOM 0 HA ASN A 8 5.198 -6.562 -3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.054 -6.004 -2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.668 -7.637 -2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.160 -5.561 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.840 -4.705 -0.404 1.00 0.00 H new ATOM 80 N MET A 9 4.994 -4.146 -4.218 1.00 0.00 N ATOM 81 CA MET A 9 4.885 -2.723 -4.515 1.00 0.00 C ATOM 82 C MET A 9 3.566 -2.413 -5.216 1.00 0.00 C ATOM 83 O MET A 9 3.175 -3.103 -6.157 1.00 0.00 O ATOM 84 CB MET A 9 6.058 -2.270 -5.386 1.00 0.00 C ATOM 85 CG MET A 9 7.338 -2.025 -4.603 1.00 0.00 C ATOM 86 SD MET A 9 7.495 -0.317 -4.047 1.00 0.00 S ATOM 87 CE MET A 9 5.809 0.036 -3.556 1.00 0.00 C ATOM 0 H MET A 9 5.040 -4.746 -5.041 1.00 0.00 H new ATOM 0 HA MET A 9 4.911 -2.178 -3.571 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.247 -3.026 -6.148 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.780 -1.354 -5.908 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.363 -2.688 -3.738 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.195 -2.281 -5.226 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.755 1.041 -3.138 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.155 -0.032 -4.425 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.490 -0.687 -2.805 1.00 0.00 H new ATOM 97 N PHE A 10 2.885 -1.370 -4.752 1.00 0.00 N ATOM 98 CA PHE A 10 1.609 -0.970 -5.334 1.00 0.00 C ATOM 99 C PHE A 10 1.417 0.541 -5.236 1.00 0.00 C ATOM 100 O PHE A 10 1.493 1.119 -4.152 1.00 0.00 O ATOM 101 CB PHE A 10 0.456 -1.689 -4.631 1.00 0.00 C ATOM 102 CG PHE A 10 0.379 -3.154 -4.951 1.00 0.00 C ATOM 103 CD1 PHE A 10 1.190 -4.064 -4.291 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.505 -3.622 -5.910 1.00 0.00 C ATOM 105 CE1 PHE A 10 1.122 -5.413 -4.584 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.578 -4.970 -6.206 1.00 0.00 C ATOM 107 CZ PHE A 10 0.236 -5.867 -5.542 1.00 0.00 C ATOM 0 H PHE A 10 3.195 -0.787 -3.975 1.00 0.00 H new ATOM 0 HA PHE A 10 1.614 -1.250 -6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.565 -1.566 -3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.484 -1.214 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.883 -3.715 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.144 -2.925 -6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.761 -6.112 -4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.271 -5.322 -6.956 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.180 -6.921 -5.771 1.00 0.00 H new ATOM 117 N VAL A 11 1.169 1.174 -6.378 1.00 0.00 N ATOM 118 CA VAL A 11 0.965 2.617 -6.423 1.00 0.00 C ATOM 119 C VAL A 11 -0.512 2.968 -6.289 1.00 0.00 C ATOM 120 O VAL A 11 -1.382 2.116 -6.468 1.00 0.00 O ATOM 121 CB VAL A 11 1.508 3.221 -7.732 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.416 4.738 -7.700 1.00 0.00 C ATOM 123 CG2 VAL A 11 2.942 2.771 -7.971 1.00 0.00 C ATOM 0 H VAL A 11 1.105 0.710 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 11 1.514 3.040 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 11 0.895 2.862 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.804 5.146 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.375 5.037 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.003 5.121 -6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.310 3.207 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.569 3.100 -7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.975 1.684 -8.042 1.00 0.00 H new ATOM 133 N ALA A 12 -0.789 4.229 -5.973 1.00 0.00 N ATOM 134 CA ALA A 12 -2.161 4.694 -5.818 1.00 0.00 C ATOM 135 C ALA A 12 -2.647 5.404 -7.077 1.00 0.00 C ATOM 136 O ALA A 12 -3.778 5.201 -7.520 1.00 0.00 O ATOM 137 CB ALA A 12 -2.273 5.617 -4.613 1.00 0.00 C ATOM 0 H ALA A 12 -0.081 4.947 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.796 3.823 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.304 5.957 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.976 5.078 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.619 6.478 -4.752 1.00 0.00 H new ATOM 143 N LEU A 13 -1.785 6.237 -7.650 1.00 0.00 N ATOM 144 CA LEU A 13 -2.127 6.978 -8.860 1.00 0.00 C ATOM 145 C LEU A 13 -3.412 7.775 -8.665 1.00 0.00 C ATOM 146 O LEU A 13 -4.113 8.088 -9.628 1.00 0.00 O ATOM 147 CB LEU A 13 -2.282 6.019 -10.042 1.00 0.00 C ATOM 148 CG LEU A 13 -1.197 4.951 -10.187 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.578 3.696 -9.418 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.960 4.629 -11.655 1.00 0.00 C ATOM 0 H LEU A 13 -0.845 6.416 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.317 7.676 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.246 5.519 -9.954 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.310 6.607 -10.960 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.270 5.341 -9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.794 2.947 -9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.697 3.938 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.517 3.302 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.185 3.867 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.883 4.258 -12.100 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.642 5.531 -12.178 1.00 0.00 H new ATOM 162 N HIS A 14 -3.715 8.104 -7.413 1.00 0.00 N ATOM 163 CA HIS A 14 -4.915 8.868 -7.092 1.00 0.00 C ATOM 164 C HIS A 14 -4.793 9.518 -5.717 1.00 0.00 C ATOM 165 O HIS A 14 -4.006 9.079 -4.878 1.00 0.00 O ATOM 166 CB HIS A 14 -6.148 7.965 -7.135 1.00 0.00 C ATOM 167 CG HIS A 14 -6.677 7.739 -8.518 1.00 0.00 C ATOM 168 ND1 HIS A 14 -6.794 8.746 -9.452 1.00 0.00 N ATOM 169 CD2 HIS A 14 -7.120 6.612 -9.123 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.289 8.249 -10.572 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.495 6.956 -10.399 1.00 0.00 N ATOM 0 H HIS A 14 -3.146 7.853 -6.604 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.025 9.655 -7.838 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.899 7.002 -6.688 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.934 8.407 -6.522 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.169 5.626 -8.684 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.491 8.806 -11.475 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.871 6.317 -11.099 1.00 0.00 H new ATOM 180 N THR A 15 -5.578 10.568 -5.493 1.00 0.00 N ATOM 181 CA THR A 15 -5.557 11.279 -4.221 1.00 0.00 C ATOM 182 C THR A 15 -6.810 10.985 -3.405 1.00 0.00 C ATOM 183 O THR A 15 -7.874 11.550 -3.658 1.00 0.00 O ATOM 184 CB THR A 15 -5.440 12.801 -4.430 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.466 13.083 -5.441 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.052 13.498 -3.135 1.00 0.00 C ATOM 0 H THR A 15 -6.236 10.944 -6.176 1.00 0.00 H new ATOM 0 HA THR A 15 -4.681 10.926 -3.677 1.00 0.00 H new ATOM 0 HB THR A 15 -6.412 13.177 -4.748 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.399 14.052 -5.569 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.976 14.571 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.811 13.306 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.091 13.117 -2.791 1.00 0.00 H new ATOM 194 N TYR A 16 -6.678 10.097 -2.426 1.00 0.00 N ATOM 195 CA TYR A 16 -7.801 9.726 -1.574 1.00 0.00 C ATOM 196 C TYR A 16 -7.594 10.230 -0.149 1.00 0.00 C ATOM 197 O TYR A 16 -6.672 9.800 0.546 1.00 0.00 O ATOM 198 CB TYR A 16 -7.984 8.207 -1.568 1.00 0.00 C ATOM 199 CG TYR A 16 -9.149 7.741 -0.724 1.00 0.00 C ATOM 200 CD1 TYR A 16 -10.441 7.726 -1.235 1.00 0.00 C ATOM 201 CD2 TYR A 16 -8.957 7.316 0.585 1.00 0.00 C ATOM 202 CE1 TYR A 16 -11.508 7.301 -0.467 1.00 0.00 C ATOM 203 CE2 TYR A 16 -10.018 6.889 1.360 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.291 6.883 0.830 1.00 0.00 C ATOM 205 OH TYR A 16 -12.351 6.460 1.598 1.00 0.00 O ATOM 0 H TYR A 16 -5.804 9.621 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.700 10.192 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.127 7.863 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.070 7.741 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.614 8.052 -2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.961 7.320 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.506 7.296 -0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.851 6.562 2.376 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.155 5.573 1.966 1.00 0.00 H new ATOM 215 N SER A 17 -8.458 11.144 0.281 1.00 0.00 N ATOM 216 CA SER A 17 -8.369 11.710 1.622 1.00 0.00 C ATOM 217 C SER A 17 -9.094 10.827 2.633 1.00 0.00 C ATOM 218 O SER A 17 -10.314 10.899 2.774 1.00 0.00 O ATOM 219 CB SER A 17 -8.960 13.121 1.643 1.00 0.00 C ATOM 220 OG SER A 17 -8.431 13.911 0.592 1.00 0.00 O ATOM 0 H SER A 17 -9.228 11.508 -0.280 1.00 0.00 H new ATOM 0 HA SER A 17 -7.316 11.761 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.045 13.066 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.746 13.594 2.601 1.00 0.00 H new ATOM 0 HG SER A 17 -8.826 14.807 0.626 1.00 0.00 H new ATOM 226 N ALA A 18 -8.333 9.994 3.335 1.00 0.00 N ATOM 227 CA ALA A 18 -8.901 9.098 4.335 1.00 0.00 C ATOM 228 C ALA A 18 -10.052 9.767 5.080 1.00 0.00 C ATOM 229 O ALA A 18 -9.918 10.887 5.573 1.00 0.00 O ATOM 230 CB ALA A 18 -7.826 8.650 5.314 1.00 0.00 C ATOM 0 H ALA A 18 -7.321 9.921 3.230 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.296 8.222 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.264 7.982 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.038 8.126 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.405 9.521 5.816 1.00 0.00 H new ATOM 236 N HIS A 19 -11.183 9.073 5.157 1.00 0.00 N ATOM 237 CA HIS A 19 -12.358 9.600 5.842 1.00 0.00 C ATOM 238 C HIS A 19 -12.544 8.926 7.198 1.00 0.00 C ATOM 239 O HIS A 19 -13.229 9.453 8.075 1.00 0.00 O ATOM 240 CB HIS A 19 -13.607 9.400 4.984 1.00 0.00 C ATOM 241 CG HIS A 19 -13.487 9.977 3.607 1.00 0.00 C ATOM 242 ND1 HIS A 19 -12.973 11.232 3.360 1.00 0.00 N ATOM 243 CD2 HIS A 19 -13.817 9.462 2.399 1.00 0.00 C ATOM 244 CE1 HIS A 19 -12.993 11.465 2.059 1.00 0.00 C ATOM 245 NE2 HIS A 19 -13.500 10.407 1.454 1.00 0.00 N ATOM 0 H HIS A 19 -11.311 8.145 4.754 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.205 10.667 6.004 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.816 8.333 4.905 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.460 9.856 5.487 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -14.249 8.490 2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.652 12.368 1.574 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -13.635 10.307 0.448 1.00 0.00 H new ATOM 254 N ARG A 20 -11.932 7.758 7.362 1.00 0.00 N ATOM 255 CA ARG A 20 -12.032 7.011 8.610 1.00 0.00 C ATOM 256 C ARG A 20 -10.647 6.699 9.169 1.00 0.00 C ATOM 257 O ARG A 20 -9.640 6.749 8.464 1.00 0.00 O ATOM 258 CB ARG A 20 -12.810 5.712 8.390 1.00 0.00 C ATOM 259 CG ARG A 20 -14.308 5.855 8.605 1.00 0.00 C ATOM 260 CD ARG A 20 -15.005 4.504 8.581 1.00 0.00 C ATOM 261 NE ARG A 20 -15.131 3.976 7.225 1.00 0.00 N ATOM 262 CZ ARG A 20 -15.986 3.018 6.886 1.00 0.00 C ATOM 263 NH1 ARG A 20 -16.787 2.485 7.798 1.00 0.00 N ATOM 264 NH2 ARG A 20 -16.041 2.590 5.631 1.00 0.00 N ATOM 0 H ARG A 20 -11.361 7.308 6.646 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.566 7.628 9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.629 5.358 7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.426 4.949 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.494 6.345 9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.728 6.496 7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.446 3.797 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.995 4.599 9.026 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.529 4.364 6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.748 2.811 8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.442 1.749 7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.426 2.997 4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.698 1.854 5.371 1.00 0.00 H new ATOM 278 N PRO A 21 -10.594 6.370 10.469 1.00 0.00 N ATOM 279 CA PRO A 21 -9.339 6.043 11.152 1.00 0.00 C ATOM 280 C PRO A 21 -8.757 4.712 10.690 1.00 0.00 C ATOM 281 O PRO A 21 -7.723 4.270 11.191 1.00 0.00 O ATOM 282 CB PRO A 21 -9.747 5.966 12.625 1.00 0.00 C ATOM 283 CG PRO A 21 -11.198 5.627 12.600 1.00 0.00 C ATOM 284 CD PRO A 21 -11.756 6.290 11.370 1.00 0.00 C ATOM 0 HA PRO A 21 -8.561 6.779 10.949 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.172 5.207 13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.571 6.913 13.135 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.346 4.548 12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.699 5.987 13.499 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.565 5.707 10.931 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.160 7.277 11.594 1.00 0.00 H new ATOM 292 N GLU A 22 -9.427 4.078 9.733 1.00 0.00 N ATOM 293 CA GLU A 22 -8.974 2.797 9.204 1.00 0.00 C ATOM 294 C GLU A 22 -8.581 2.922 7.735 1.00 0.00 C ATOM 295 O GLU A 22 -7.779 2.139 7.229 1.00 0.00 O ATOM 296 CB GLU A 22 -10.070 1.740 9.361 1.00 0.00 C ATOM 297 CG GLU A 22 -11.345 2.068 8.604 1.00 0.00 C ATOM 298 CD GLU A 22 -12.582 1.494 9.268 1.00 0.00 C ATOM 299 OE1 GLU A 22 -12.981 2.017 10.330 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.151 0.523 8.727 1.00 0.00 O ATOM 0 H GLU A 22 -10.285 4.430 9.308 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.096 2.489 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.689 0.779 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.305 1.627 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.448 3.150 8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.270 1.681 7.588 1.00 0.00 H new ATOM 307 N GLU A 23 -9.152 3.913 7.058 1.00 0.00 N ATOM 308 CA GLU A 23 -8.861 4.140 5.647 1.00 0.00 C ATOM 309 C GLU A 23 -7.442 4.670 5.462 1.00 0.00 C ATOM 310 O GLU A 23 -6.892 5.326 6.348 1.00 0.00 O ATOM 311 CB GLU A 23 -9.867 5.126 5.049 1.00 0.00 C ATOM 312 CG GLU A 23 -11.246 4.528 4.824 1.00 0.00 C ATOM 313 CD GLU A 23 -12.285 5.574 4.470 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.239 6.676 5.056 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.143 5.291 3.609 1.00 0.00 O ATOM 0 H GLU A 23 -9.818 4.571 7.463 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.944 3.186 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.957 5.987 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.481 5.495 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.192 3.790 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.560 4.000 5.724 1.00 0.00 H new ATOM 322 N LEU A 24 -6.855 4.380 4.307 1.00 0.00 N ATOM 323 CA LEU A 24 -5.499 4.825 4.004 1.00 0.00 C ATOM 324 C LEU A 24 -5.513 5.949 2.972 1.00 0.00 C ATOM 325 O LEU A 24 -6.026 5.783 1.866 1.00 0.00 O ATOM 326 CB LEU A 24 -4.660 3.655 3.489 1.00 0.00 C ATOM 327 CG LEU A 24 -3.162 3.719 3.792 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.438 2.541 3.158 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.575 5.035 3.303 1.00 0.00 C ATOM 0 H LEU A 24 -7.297 3.838 3.564 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.054 5.206 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.057 2.734 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.789 3.589 2.409 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.026 3.663 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.374 2.604 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.840 1.610 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.581 2.565 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.509 5.063 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.722 5.121 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.073 5.864 3.805 1.00 0.00 H new ATOM 341 N ASP A 25 -4.944 7.091 3.342 1.00 0.00 N ATOM 342 CA ASP A 25 -4.887 8.241 2.447 1.00 0.00 C ATOM 343 C ASP A 25 -3.943 7.975 1.278 1.00 0.00 C ATOM 344 O ASP A 25 -2.726 7.904 1.453 1.00 0.00 O ATOM 345 CB ASP A 25 -4.434 9.486 3.211 1.00 0.00 C ATOM 346 CG ASP A 25 -5.178 9.665 4.520 1.00 0.00 C ATOM 347 OD1 ASP A 25 -4.999 8.822 5.424 1.00 0.00 O ATOM 348 OD2 ASP A 25 -5.941 10.647 4.640 1.00 0.00 O ATOM 0 H ASP A 25 -4.516 7.245 4.255 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.888 8.411 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.365 9.417 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.586 10.367 2.587 1.00 0.00 H new ATOM 353 N LEU A 26 -4.512 7.827 0.087 1.00 0.00 N ATOM 354 CA LEU A 26 -3.722 7.567 -1.111 1.00 0.00 C ATOM 355 C LEU A 26 -3.295 8.872 -1.775 1.00 0.00 C ATOM 356 O LEU A 26 -4.029 9.860 -1.752 1.00 0.00 O ATOM 357 CB LEU A 26 -4.522 6.717 -2.099 1.00 0.00 C ATOM 358 CG LEU A 26 -5.290 5.537 -1.502 1.00 0.00 C ATOM 359 CD1 LEU A 26 -6.082 4.814 -2.580 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.336 4.578 -0.804 1.00 0.00 C ATOM 0 H LEU A 26 -5.518 7.883 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.826 7.021 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.233 7.365 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.837 6.333 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.992 5.922 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.622 3.978 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.793 5.504 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.400 4.441 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.900 3.744 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.610 4.200 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.815 5.102 -0.003 1.00 0.00 H new ATOM 372 N GLN A 27 -2.105 8.867 -2.368 1.00 0.00 N ATOM 373 CA GLN A 27 -1.582 10.051 -3.040 1.00 0.00 C ATOM 374 C GLN A 27 -1.120 9.714 -4.453 1.00 0.00 C ATOM 375 O GLN A 27 -0.249 8.865 -4.648 1.00 0.00 O ATOM 376 CB GLN A 27 -0.423 10.647 -2.239 1.00 0.00 C ATOM 377 CG GLN A 27 0.613 11.351 -3.101 1.00 0.00 C ATOM 378 CD GLN A 27 1.289 12.500 -2.379 1.00 0.00 C ATOM 379 OE1 GLN A 27 2.515 12.612 -2.377 1.00 0.00 O ATOM 380 NE2 GLN A 27 0.491 13.362 -1.760 1.00 0.00 N ATOM 0 H GLN A 27 -1.486 8.057 -2.397 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.384 10.786 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.821 11.355 -1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.065 9.852 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.368 10.631 -3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.133 11.727 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.520 13.231 -1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.889 14.155 -1.257 1.00 0.00 H new ATOM 389 N LYS A 28 -1.708 10.385 -5.438 1.00 0.00 N ATOM 390 CA LYS A 28 -1.356 10.158 -6.835 1.00 0.00 C ATOM 391 C LYS A 28 0.158 10.121 -7.016 1.00 0.00 C ATOM 392 O LYS A 28 0.816 11.160 -7.034 1.00 0.00 O ATOM 393 CB LYS A 28 -1.959 11.253 -7.718 1.00 0.00 C ATOM 394 CG LYS A 28 -2.008 10.888 -9.192 1.00 0.00 C ATOM 395 CD LYS A 28 -0.691 11.192 -9.885 1.00 0.00 C ATOM 396 CE LYS A 28 -0.857 11.251 -11.396 1.00 0.00 C ATOM 397 NZ LYS A 28 0.422 10.969 -12.106 1.00 0.00 N ATOM 0 H LYS A 28 -2.431 11.091 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.763 9.192 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.970 11.471 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.377 12.167 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.240 9.828 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.812 11.440 -9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.299 12.143 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.042 10.427 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.612 10.529 -11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.222 12.237 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.267 11.019 -13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.135 11.673 -11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.758 10.018 -11.852 1.00 0.00 H new ATOM 411 N GLY A 29 0.704 8.916 -7.152 1.00 0.00 N ATOM 412 CA GLY A 29 2.136 8.767 -7.331 1.00 0.00 C ATOM 413 C GLY A 29 2.850 8.422 -6.039 1.00 0.00 C ATOM 414 O GLY A 29 3.943 8.921 -5.774 1.00 0.00 O ATOM 0 H GLY A 29 0.180 8.041 -7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.328 7.987 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.547 9.693 -7.733 1.00 0.00 H new ATOM 418 N GLU A 30 2.228 7.568 -5.231 1.00 0.00 N ATOM 419 CA GLU A 30 2.811 7.160 -3.958 1.00 0.00 C ATOM 420 C GLU A 30 2.984 5.645 -3.900 1.00 0.00 C ATOM 421 O GLU A 30 2.174 4.896 -4.444 1.00 0.00 O ATOM 422 CB GLU A 30 1.933 7.630 -2.796 1.00 0.00 C ATOM 423 CG GLU A 30 0.678 6.795 -2.606 1.00 0.00 C ATOM 424 CD GLU A 30 0.106 6.913 -1.207 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.300 7.972 -0.574 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.536 5.947 -0.744 1.00 0.00 O ATOM 0 H GLU A 30 1.322 7.146 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 30 3.794 7.624 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.518 7.606 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.647 8.668 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.075 7.107 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.906 5.750 -2.814 1.00 0.00 H new ATOM 433 N GLY A 31 4.046 5.202 -3.235 1.00 0.00 N ATOM 434 CA GLY A 31 4.307 3.779 -3.117 1.00 0.00 C ATOM 435 C GLY A 31 3.701 3.180 -1.864 1.00 0.00 C ATOM 436 O GLY A 31 4.041 3.579 -0.750 1.00 0.00 O ATOM 0 H GLY A 31 4.731 5.803 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.907 3.266 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.384 3.609 -3.113 1.00 0.00 H new ATOM 440 N ILE A 32 2.799 2.220 -2.045 1.00 0.00 N ATOM 441 CA ILE A 32 2.144 1.566 -0.920 1.00 0.00 C ATOM 442 C ILE A 32 2.580 0.109 -0.801 1.00 0.00 C ATOM 443 O ILE A 32 2.815 -0.563 -1.805 1.00 0.00 O ATOM 444 CB ILE A 32 0.611 1.622 -1.051 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.136 3.075 -1.125 1.00 0.00 C ATOM 446 CG2 ILE A 32 -0.048 0.903 0.117 1.00 0.00 C ATOM 447 CD1 ILE A 32 -1.206 3.239 -1.801 1.00 0.00 C ATOM 0 H ILE A 32 2.506 1.879 -2.960 1.00 0.00 H new ATOM 0 HA ILE A 32 2.444 2.107 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 32 0.322 1.117 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.077 3.481 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.879 3.664 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.132 0.952 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.269 -0.140 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.246 1.381 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.479 4.294 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.147 2.864 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.961 2.678 -1.251 1.00 0.00 H new ATOM 459 N ARG A 33 2.683 -0.373 0.433 1.00 0.00 N ATOM 460 CA ARG A 33 3.089 -1.750 0.684 1.00 0.00 C ATOM 461 C ARG A 33 1.922 -2.572 1.222 1.00 0.00 C ATOM 462 O ARG A 33 1.553 -2.455 2.391 1.00 0.00 O ATOM 463 CB ARG A 33 4.254 -1.789 1.675 1.00 0.00 C ATOM 464 CG ARG A 33 5.170 -2.988 1.492 1.00 0.00 C ATOM 465 CD ARG A 33 6.428 -2.862 2.337 1.00 0.00 C ATOM 466 NE ARG A 33 7.379 -3.937 2.067 1.00 0.00 N ATOM 467 CZ ARG A 33 8.679 -3.849 2.323 1.00 0.00 C ATOM 468 NH1 ARG A 33 9.181 -2.743 2.854 1.00 0.00 N ATOM 469 NH2 ARG A 33 9.481 -4.870 2.049 1.00 0.00 N ATOM 0 H ARG A 33 2.491 0.170 1.275 1.00 0.00 H new ATOM 0 HA ARG A 33 3.411 -2.185 -0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.840 -0.876 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.856 -1.798 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.637 -3.899 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.444 -3.081 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.902 -1.901 2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.158 -2.874 3.393 1.00 0.00 H new ATOM 0 HE ARG A 33 7.025 -4.803 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.568 -1.956 3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.180 -2.679 3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.099 -5.723 1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.479 -4.801 2.246 1.00 0.00 H new ATOM 483 N VAL A 34 1.344 -3.404 0.361 1.00 0.00 N ATOM 484 CA VAL A 34 0.219 -4.246 0.750 1.00 0.00 C ATOM 485 C VAL A 34 0.647 -5.301 1.764 1.00 0.00 C ATOM 486 O VAL A 34 1.447 -6.186 1.457 1.00 0.00 O ATOM 487 CB VAL A 34 -0.406 -4.947 -0.471 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.262 -6.125 -0.030 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.223 -3.961 -1.291 1.00 0.00 C ATOM 0 H VAL A 34 1.636 -3.513 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.525 -3.591 1.204 1.00 0.00 H new ATOM 0 HB VAL A 34 0.398 -5.328 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.695 -6.608 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.644 -6.842 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.061 -5.771 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.657 -4.474 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.021 -3.548 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.578 -3.154 -1.638 1.00 0.00 H new ATOM 499 N LEU A 35 0.109 -5.202 2.975 1.00 0.00 N ATOM 500 CA LEU A 35 0.434 -6.149 4.036 1.00 0.00 C ATOM 501 C LEU A 35 -0.632 -7.235 4.143 1.00 0.00 C ATOM 502 O LEU A 35 -0.386 -8.395 3.814 1.00 0.00 O ATOM 503 CB LEU A 35 0.570 -5.419 5.374 1.00 0.00 C ATOM 504 CG LEU A 35 1.114 -3.991 5.307 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.545 -3.150 6.438 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.635 -3.998 5.357 1.00 0.00 C ATOM 0 H LEU A 35 -0.554 -4.476 3.246 1.00 0.00 H new ATOM 0 HA LEU A 35 1.384 -6.622 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.410 -5.391 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.223 -6.005 6.020 1.00 0.00 H new ATOM 0 HG LEU A 35 0.803 -3.547 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.943 -2.137 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.542 -3.119 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.825 -3.590 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.005 -2.974 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.966 -4.460 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.024 -4.565 4.511 1.00 0.00 H new ATOM 518 N GLY A 36 -1.819 -6.850 4.602 1.00 0.00 N ATOM 519 CA GLY A 36 -2.905 -7.802 4.742 1.00 0.00 C ATOM 520 C GLY A 36 -3.955 -7.646 3.660 1.00 0.00 C ATOM 521 O GLY A 36 -3.902 -6.709 2.863 1.00 0.00 O ATOM 0 H GLY A 36 -2.048 -5.895 4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.503 -8.815 4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.372 -7.675 5.719 1.00 0.00 H new ATOM 525 N LYS A 37 -4.913 -8.566 3.630 1.00 0.00 N ATOM 526 CA LYS A 37 -5.980 -8.528 2.637 1.00 0.00 C ATOM 527 C LYS A 37 -7.347 -8.468 3.311 1.00 0.00 C ATOM 528 O LYS A 37 -7.802 -9.447 3.904 1.00 0.00 O ATOM 529 CB LYS A 37 -5.903 -9.756 1.727 1.00 0.00 C ATOM 530 CG LYS A 37 -7.046 -9.848 0.732 1.00 0.00 C ATOM 531 CD LYS A 37 -6.984 -11.137 -0.072 1.00 0.00 C ATOM 532 CE LYS A 37 -8.261 -11.361 -0.866 1.00 0.00 C ATOM 533 NZ LYS A 37 -9.285 -12.096 -0.073 1.00 0.00 N ATOM 0 H LYS A 37 -4.972 -9.348 4.283 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.850 -7.629 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.959 -9.736 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.896 -10.655 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.997 -9.795 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.010 -8.994 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.133 -11.102 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.820 -11.979 0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.667 -10.399 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.032 -11.922 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.141 -12.229 -0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.908 -13.024 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.523 -11.549 0.779 1.00 0.00 H new ATOM 547 N TYR A 38 -7.999 -7.314 3.215 1.00 0.00 N ATOM 548 CA TYR A 38 -9.314 -7.126 3.816 1.00 0.00 C ATOM 549 C TYR A 38 -10.343 -8.053 3.176 1.00 0.00 C ATOM 550 O TYR A 38 -10.908 -8.922 3.839 1.00 0.00 O ATOM 551 CB TYR A 38 -9.761 -5.671 3.671 1.00 0.00 C ATOM 552 CG TYR A 38 -10.727 -5.224 4.745 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.356 -5.222 6.084 1.00 0.00 C ATOM 554 CD2 TYR A 38 -12.012 -4.805 4.420 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.236 -4.816 7.068 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.898 -4.396 5.398 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.505 -4.403 6.720 1.00 0.00 C ATOM 558 OH TYR A 38 -13.386 -3.997 7.697 1.00 0.00 O ATOM 0 H TYR A 38 -7.638 -6.495 2.726 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.240 -7.372 4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.883 -5.026 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.229 -5.539 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.363 -5.543 6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.323 -4.799 3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.932 -4.822 8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.893 -4.073 5.129 1.00 0.00 H new ATOM 0 HH TYR A 38 -14.236 -3.737 7.284 1.00 0.00 H new ATOM 568 N GLN A 39 -10.579 -7.860 1.883 1.00 0.00 N ATOM 569 CA GLN A 39 -11.540 -8.677 1.152 1.00 0.00 C ATOM 570 C GLN A 39 -11.528 -8.334 -0.334 1.00 0.00 C ATOM 571 O GLN A 39 -10.866 -7.386 -0.757 1.00 0.00 O ATOM 572 CB GLN A 39 -12.946 -8.481 1.722 1.00 0.00 C ATOM 573 CG GLN A 39 -13.454 -7.053 1.611 1.00 0.00 C ATOM 574 CD GLN A 39 -14.877 -6.899 2.110 1.00 0.00 C ATOM 575 OE1 GLN A 39 -15.833 -7.032 1.346 1.00 0.00 O ATOM 576 NE2 GLN A 39 -15.024 -6.616 3.399 1.00 0.00 N ATOM 0 H GLN A 39 -10.118 -7.145 1.320 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.252 -9.722 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.636 -9.145 1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.949 -8.778 2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.800 -6.393 2.181 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.401 -6.733 0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.203 -6.515 3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.958 -6.500 3.792 1.00 0.00 H new ATOM 585 N ASP A 40 -12.264 -9.110 -1.122 1.00 0.00 N ATOM 586 CA ASP A 40 -12.339 -8.888 -2.561 1.00 0.00 C ATOM 587 C ASP A 40 -12.704 -7.439 -2.869 1.00 0.00 C ATOM 588 O ASP A 40 -13.864 -7.044 -2.761 1.00 0.00 O ATOM 589 CB ASP A 40 -13.366 -9.830 -3.191 1.00 0.00 C ATOM 590 CG ASP A 40 -12.816 -11.226 -3.406 1.00 0.00 C ATOM 591 OD1 ASP A 40 -11.691 -11.346 -3.937 1.00 0.00 O ATOM 592 OD2 ASP A 40 -13.508 -12.199 -3.043 1.00 0.00 O ATOM 0 H ASP A 40 -12.818 -9.899 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.357 -9.095 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.246 -9.884 -2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.692 -9.420 -4.147 1.00 0.00 H new ATOM 597 N GLY A 41 -11.704 -6.651 -3.252 1.00 0.00 N ATOM 598 CA GLY A 41 -11.939 -5.254 -3.568 1.00 0.00 C ATOM 599 C GLY A 41 -11.208 -4.316 -2.628 1.00 0.00 C ATOM 600 O GLY A 41 -10.867 -3.194 -3.002 1.00 0.00 O ATOM 0 H GLY A 41 -10.735 -6.955 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.621 -5.058 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.009 -5.049 -3.522 1.00 0.00 H new ATOM 604 N TRP A 42 -10.968 -4.775 -1.405 1.00 0.00 N ATOM 605 CA TRP A 42 -10.274 -3.967 -0.408 1.00 0.00 C ATOM 606 C TRP A 42 -9.034 -4.687 0.109 1.00 0.00 C ATOM 607 O TRP A 42 -9.062 -5.894 0.353 1.00 0.00 O ATOM 608 CB TRP A 42 -11.212 -3.640 0.756 1.00 0.00 C ATOM 609 CG TRP A 42 -12.354 -2.751 0.367 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.609 -3.143 -0.001 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.343 -1.320 0.306 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.380 -2.042 -0.287 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.627 -0.912 -0.106 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.376 -0.345 0.561 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.965 0.429 -0.269 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.712 0.985 0.398 1.00 0.00 C ATOM 617 CH2 TRP A 42 -12.998 1.363 -0.013 1.00 0.00 C ATOM 0 H TRP A 42 -11.243 -5.702 -1.080 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.960 -3.038 -0.884 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.608 -4.569 1.166 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.640 -3.159 1.550 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.946 -4.167 -0.059 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.355 -2.063 -0.586 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.383 -0.626 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.955 0.722 -0.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.971 1.747 0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.230 2.411 -0.130 1.00 0.00 H new ATOM 628 N LEU A 43 -7.947 -3.941 0.273 1.00 0.00 N ATOM 629 CA LEU A 43 -6.696 -4.510 0.762 1.00 0.00 C ATOM 630 C LEU A 43 -6.071 -3.615 1.828 1.00 0.00 C ATOM 631 O LEU A 43 -6.378 -2.426 1.914 1.00 0.00 O ATOM 632 CB LEU A 43 -5.715 -4.705 -0.395 1.00 0.00 C ATOM 633 CG LEU A 43 -6.295 -5.318 -1.670 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.321 -5.163 -2.828 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.634 -6.785 -1.450 1.00 0.00 C ATOM 0 H LEU A 43 -7.907 -2.941 0.075 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.917 -5.479 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.283 -3.736 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.898 -5.339 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.213 -4.787 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.751 -5.605 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.127 -4.104 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.386 -5.668 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.046 -7.205 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.731 -7.330 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.369 -6.873 -0.650 1.00 0.00 H new ATOM 647 N LYS A 44 -5.190 -4.194 2.637 1.00 0.00 N ATOM 648 CA LYS A 44 -4.518 -3.449 3.695 1.00 0.00 C ATOM 649 C LYS A 44 -3.040 -3.257 3.371 1.00 0.00 C ATOM 650 O LYS A 44 -2.314 -4.223 3.141 1.00 0.00 O ATOM 651 CB LYS A 44 -4.667 -4.178 5.033 1.00 0.00 C ATOM 652 CG LYS A 44 -3.795 -3.605 6.137 1.00 0.00 C ATOM 653 CD LYS A 44 -4.165 -4.181 7.494 1.00 0.00 C ATOM 654 CE LYS A 44 -3.724 -3.267 8.626 1.00 0.00 C ATOM 655 NZ LYS A 44 -3.777 -3.953 9.947 1.00 0.00 N ATOM 0 H LYS A 44 -4.925 -5.177 2.580 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.986 -2.467 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.710 -4.136 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.418 -5.230 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.748 -3.819 5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.901 -2.520 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.243 -4.331 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.701 -5.160 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.708 -2.920 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.363 -2.384 8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.469 -3.296 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.751 -4.262 10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.148 -4.781 9.934 1.00 0.00 H new ATOM 669 N GLY A 45 -2.601 -2.001 3.355 1.00 0.00 N ATOM 670 CA GLY A 45 -1.212 -1.705 3.058 1.00 0.00 C ATOM 671 C GLY A 45 -0.722 -0.457 3.765 1.00 0.00 C ATOM 672 O GLY A 45 -1.519 0.327 4.282 1.00 0.00 O ATOM 0 H GLY A 45 -3.183 -1.184 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.592 -2.552 3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.092 -1.580 1.982 1.00 0.00 H new ATOM 676 N LEU A 46 0.593 -0.271 3.789 1.00 0.00 N ATOM 677 CA LEU A 46 1.189 0.891 4.439 1.00 0.00 C ATOM 678 C LEU A 46 1.837 1.816 3.414 1.00 0.00 C ATOM 679 O LEU A 46 2.863 1.482 2.822 1.00 0.00 O ATOM 680 CB LEU A 46 2.229 0.446 5.470 1.00 0.00 C ATOM 681 CG LEU A 46 3.153 1.540 6.006 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.275 1.822 5.019 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.365 2.809 6.297 1.00 0.00 C ATOM 0 H LEU A 46 1.267 -0.910 3.366 1.00 0.00 H new ATOM 0 HA LEU A 46 0.395 1.440 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.706 -0.005 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.844 -0.334 5.022 1.00 0.00 H new ATOM 0 HG LEU A 46 3.596 1.190 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.922 2.603 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.857 0.914 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.851 2.151 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.039 3.577 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.893 3.163 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.598 2.598 7.042 1.00 0.00 H new ATOM 695 N SER A 47 1.231 2.982 3.210 1.00 0.00 N ATOM 696 CA SER A 47 1.747 3.955 2.255 1.00 0.00 C ATOM 697 C SER A 47 3.193 4.319 2.578 1.00 0.00 C ATOM 698 O SER A 47 3.465 5.034 3.544 1.00 0.00 O ATOM 699 CB SER A 47 0.879 5.215 2.259 1.00 0.00 C ATOM 700 OG SER A 47 1.283 6.116 1.242 1.00 0.00 O ATOM 0 H SER A 47 0.382 3.275 3.694 1.00 0.00 H new ATOM 0 HA SER A 47 1.717 3.505 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.166 4.941 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.947 5.704 3.231 1.00 0.00 H new ATOM 0 HG SER A 47 1.800 5.633 0.564 1.00 0.00 H new ATOM 706 N LEU A 48 4.118 3.822 1.764 1.00 0.00 N ATOM 707 CA LEU A 48 5.537 4.094 1.961 1.00 0.00 C ATOM 708 C LEU A 48 5.827 5.587 1.848 1.00 0.00 C ATOM 709 O LEU A 48 6.893 6.056 2.248 1.00 0.00 O ATOM 710 CB LEU A 48 6.372 3.322 0.938 1.00 0.00 C ATOM 711 CG LEU A 48 6.067 1.829 0.813 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.464 1.316 -0.563 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.784 1.045 1.903 1.00 0.00 C ATOM 0 H LEU A 48 3.910 3.228 0.961 1.00 0.00 H new ATOM 0 HA LEU A 48 5.808 3.765 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.232 3.784 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.425 3.437 1.197 1.00 0.00 H new ATOM 0 HG LEU A 48 4.993 1.686 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.239 0.252 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.906 1.856 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.532 1.472 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.555 -0.016 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.860 1.195 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.451 1.393 2.881 1.00 0.00 H new ATOM 725 N LEU A 49 4.871 6.330 1.302 1.00 0.00 N ATOM 726 CA LEU A 49 5.021 7.772 1.137 1.00 0.00 C ATOM 727 C LEU A 49 4.618 8.510 2.409 1.00 0.00 C ATOM 728 O LEU A 49 5.454 9.116 3.081 1.00 0.00 O ATOM 729 CB LEU A 49 4.176 8.262 -0.040 1.00 0.00 C ATOM 730 CG LEU A 49 4.053 9.778 -0.192 1.00 0.00 C ATOM 731 CD1 LEU A 49 5.179 10.321 -1.058 1.00 0.00 C ATOM 732 CD2 LEU A 49 2.699 10.147 -0.782 1.00 0.00 C ATOM 0 H LEU A 49 3.983 5.958 0.966 1.00 0.00 H new ATOM 0 HA LEU A 49 6.071 7.982 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.600 7.858 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.174 7.844 0.059 1.00 0.00 H new ATOM 0 HG LEU A 49 4.132 10.230 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.075 11.402 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.138 10.089 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.132 9.862 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.629 11.230 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.591 9.683 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.906 9.792 -0.123 1.00 0.00 H new ATOM 744 N THR A 50 3.331 8.455 2.737 1.00 0.00 N ATOM 745 CA THR A 50 2.816 9.117 3.929 1.00 0.00 C ATOM 746 C THR A 50 3.209 8.358 5.192 1.00 0.00 C ATOM 747 O THR A 50 3.509 8.961 6.221 1.00 0.00 O ATOM 748 CB THR A 50 1.282 9.249 3.880 1.00 0.00 C ATOM 749 OG1 THR A 50 0.693 7.997 3.513 1.00 0.00 O ATOM 750 CG2 THR A 50 0.864 10.323 2.886 1.00 0.00 C ATOM 0 H THR A 50 2.626 7.958 2.193 1.00 0.00 H new ATOM 0 HA THR A 50 3.258 10.113 3.954 1.00 0.00 H new ATOM 0 HB THR A 50 0.932 9.537 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.511 7.472 4.320 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.223 10.399 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.290 11.281 3.185 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.226 10.060 1.892 1.00 0.00 H new ATOM 758 N GLY A 51 3.205 7.032 5.106 1.00 0.00 N ATOM 759 CA GLY A 51 3.564 6.213 6.249 1.00 0.00 C ATOM 760 C GLY A 51 2.362 5.839 7.094 1.00 0.00 C ATOM 761 O GLY A 51 2.472 5.692 8.311 1.00 0.00 O ATOM 0 H GLY A 51 2.959 6.510 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.057 5.305 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.285 6.750 6.865 1.00 0.00 H new ATOM 765 N ARG A 52 1.211 5.686 6.448 1.00 0.00 N ATOM 766 CA ARG A 52 -0.017 5.330 7.148 1.00 0.00 C ATOM 767 C ARG A 52 -0.528 3.967 6.691 1.00 0.00 C ATOM 768 O ARG A 52 -0.293 3.552 5.556 1.00 0.00 O ATOM 769 CB ARG A 52 -1.091 6.394 6.913 1.00 0.00 C ATOM 770 CG ARG A 52 -0.620 7.810 7.204 1.00 0.00 C ATOM 771 CD ARG A 52 -1.792 8.767 7.353 1.00 0.00 C ATOM 772 NE ARG A 52 -2.256 8.853 8.735 1.00 0.00 N ATOM 773 CZ ARG A 52 -3.370 9.479 9.098 1.00 0.00 C ATOM 774 NH1 ARG A 52 -4.130 10.070 8.186 1.00 0.00 N ATOM 775 NH2 ARG A 52 -3.727 9.514 10.376 1.00 0.00 N ATOM 0 H ARG A 52 1.103 5.803 5.440 1.00 0.00 H new ATOM 0 HA ARG A 52 0.205 5.277 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.426 6.337 5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.954 6.171 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.025 7.816 8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.030 8.151 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.497 9.758 7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.612 8.438 6.715 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.694 8.408 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.860 10.045 7.203 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.985 10.550 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.146 9.060 11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.583 9.995 10.654 1.00 0.00 H new ATOM 789 N THR A 53 -1.228 3.273 7.583 1.00 0.00 N ATOM 790 CA THR A 53 -1.771 1.957 7.273 1.00 0.00 C ATOM 791 C THR A 53 -3.295 1.969 7.306 1.00 0.00 C ATOM 792 O THR A 53 -3.901 2.330 8.313 1.00 0.00 O ATOM 793 CB THR A 53 -1.256 0.890 8.258 1.00 0.00 C ATOM 794 OG1 THR A 53 0.105 1.164 8.609 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.360 -0.501 7.652 1.00 0.00 C ATOM 0 H THR A 53 -1.432 3.601 8.527 1.00 0.00 H new ATOM 0 HA THR A 53 -1.434 1.705 6.267 1.00 0.00 H new ATOM 0 HB THR A 53 -1.875 0.925 9.154 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.425 0.483 9.237 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.991 -1.237 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.401 -0.717 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.763 -0.547 6.741 1.00 0.00 H new ATOM 803 N GLY A 54 -3.909 1.570 6.196 1.00 0.00 N ATOM 804 CA GLY A 54 -5.358 1.542 6.119 1.00 0.00 C ATOM 805 C GLY A 54 -5.863 0.624 5.024 1.00 0.00 C ATOM 806 O GLY A 54 -5.084 -0.101 4.404 1.00 0.00 O ATOM 0 H GLY A 54 -3.429 1.266 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.763 1.217 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.729 2.552 5.942 1.00 0.00 H new ATOM 810 N ILE A 55 -7.170 0.654 4.785 1.00 0.00 N ATOM 811 CA ILE A 55 -7.777 -0.183 3.757 1.00 0.00 C ATOM 812 C ILE A 55 -8.088 0.626 2.502 1.00 0.00 C ATOM 813 O ILE A 55 -8.826 1.611 2.552 1.00 0.00 O ATOM 814 CB ILE A 55 -9.074 -0.843 4.262 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.985 0.201 4.910 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.752 -1.957 5.247 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.329 -0.349 5.333 1.00 0.00 C ATOM 0 H ILE A 55 -7.828 1.248 5.289 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.053 -0.961 3.515 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.599 -1.277 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.482 0.619 5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.141 1.021 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.678 -2.414 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.138 -2.711 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.209 -1.545 6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.922 0.446 5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.852 -0.742 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.183 -1.149 6.059 1.00 0.00 H new ATOM 829 N PHE A 56 -7.520 0.204 1.377 1.00 0.00 N ATOM 830 CA PHE A 56 -7.737 0.889 0.108 1.00 0.00 C ATOM 831 C PHE A 56 -8.267 -0.077 -0.948 1.00 0.00 C ATOM 832 O PHE A 56 -8.043 -1.286 -0.887 1.00 0.00 O ATOM 833 CB PHE A 56 -6.435 1.530 -0.379 1.00 0.00 C ATOM 834 CG PHE A 56 -5.238 0.634 -0.242 1.00 0.00 C ATOM 835 CD1 PHE A 56 -5.003 -0.376 -1.162 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.347 0.800 0.806 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.902 -1.202 -1.039 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.244 -0.023 0.933 1.00 0.00 C ATOM 839 CZ PHE A 56 -3.022 -1.026 0.010 1.00 0.00 C ATOM 0 H PHE A 56 -6.906 -0.609 1.318 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.481 1.669 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.548 1.814 -1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.259 2.447 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.688 -0.519 -1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.516 1.581 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.730 -1.985 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.556 0.118 1.754 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.162 -1.671 0.109 1.00 0.00 H new ATOM 849 N PRO A 57 -8.987 0.468 -1.939 1.00 0.00 N ATOM 850 CA PRO A 57 -9.564 -0.327 -3.027 1.00 0.00 C ATOM 851 C PRO A 57 -8.500 -0.877 -3.971 1.00 0.00 C ATOM 852 O PRO A 57 -7.687 -0.126 -4.510 1.00 0.00 O ATOM 853 CB PRO A 57 -10.462 0.674 -3.760 1.00 0.00 C ATOM 854 CG PRO A 57 -9.867 2.006 -3.461 1.00 0.00 C ATOM 855 CD PRO A 57 -9.293 1.902 -2.075 1.00 0.00 C ATOM 0 HA PRO A 57 -10.094 -1.203 -2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.479 0.480 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.492 0.613 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.093 2.259 -4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.622 2.791 -3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.399 2.516 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.005 2.234 -1.319 1.00 0.00 H new ATOM 863 N SER A 58 -8.512 -2.192 -4.166 1.00 0.00 N ATOM 864 CA SER A 58 -7.545 -2.843 -5.042 1.00 0.00 C ATOM 865 C SER A 58 -7.549 -2.202 -6.427 1.00 0.00 C ATOM 866 O SER A 58 -6.525 -2.169 -7.111 1.00 0.00 O ATOM 867 CB SER A 58 -7.856 -4.336 -5.159 1.00 0.00 C ATOM 868 OG SER A 58 -9.092 -4.550 -5.818 1.00 0.00 O ATOM 0 H SER A 58 -9.180 -2.827 -3.729 1.00 0.00 H new ATOM 0 HA SER A 58 -6.554 -2.718 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.057 -4.835 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.888 -4.783 -4.165 1.00 0.00 H new ATOM 0 HG SER A 58 -9.267 -5.512 -5.881 1.00 0.00 H new ATOM 874 N ASP A 59 -8.706 -1.693 -6.833 1.00 0.00 N ATOM 875 CA ASP A 59 -8.845 -1.051 -8.135 1.00 0.00 C ATOM 876 C ASP A 59 -7.939 0.172 -8.237 1.00 0.00 C ATOM 877 O ASP A 59 -7.532 0.566 -9.330 1.00 0.00 O ATOM 878 CB ASP A 59 -10.300 -0.645 -8.375 1.00 0.00 C ATOM 879 CG ASP A 59 -11.219 -1.842 -8.517 1.00 0.00 C ATOM 880 OD1 ASP A 59 -11.095 -2.570 -9.524 1.00 0.00 O ATOM 881 OD2 ASP A 59 -12.062 -2.051 -7.619 1.00 0.00 O ATOM 0 H ASP A 59 -9.562 -1.712 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.545 -1.768 -8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.642 -0.024 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.360 -0.035 -9.277 1.00 0.00 H new ATOM 886 N TYR A 60 -7.628 0.769 -7.092 1.00 0.00 N ATOM 887 CA TYR A 60 -6.773 1.950 -7.052 1.00 0.00 C ATOM 888 C TYR A 60 -5.300 1.556 -7.072 1.00 0.00 C ATOM 889 O TYR A 60 -4.439 2.347 -7.460 1.00 0.00 O ATOM 890 CB TYR A 60 -7.074 2.781 -5.804 1.00 0.00 C ATOM 891 CG TYR A 60 -8.277 3.684 -5.952 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.505 3.176 -6.359 1.00 0.00 C ATOM 893 CD2 TYR A 60 -8.187 5.044 -5.685 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.607 3.998 -6.497 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.284 5.873 -5.819 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.492 5.345 -6.226 1.00 0.00 C ATOM 897 OH TYR A 60 -11.587 6.167 -6.361 1.00 0.00 O ATOM 0 H TYR A 60 -7.955 0.455 -6.179 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.982 2.549 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.236 2.109 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.202 3.389 -5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.599 2.121 -6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.243 5.461 -5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.554 3.587 -6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.197 6.928 -5.606 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.337 7.086 -6.131 1.00 0.00 H new ATOM 907 N VAL A 61 -5.016 0.327 -6.652 1.00 0.00 N ATOM 908 CA VAL A 61 -3.647 -0.174 -6.623 1.00 0.00 C ATOM 909 C VAL A 61 -3.432 -1.247 -7.685 1.00 0.00 C ATOM 910 O VAL A 61 -4.230 -2.176 -7.813 1.00 0.00 O ATOM 911 CB VAL A 61 -3.292 -0.756 -5.242 1.00 0.00 C ATOM 912 CG1 VAL A 61 -2.936 0.358 -4.269 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.442 -1.596 -4.706 1.00 0.00 C ATOM 0 H VAL A 61 -5.716 -0.340 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.995 0.674 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.421 -1.402 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.688 -0.072 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.079 0.913 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.786 1.032 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.174 -1.999 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.332 -0.975 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.645 -2.417 -5.394 1.00 0.00 H new ATOM 923 N ILE A 62 -2.350 -1.112 -8.443 1.00 0.00 N ATOM 924 CA ILE A 62 -2.029 -2.071 -9.493 1.00 0.00 C ATOM 925 C ILE A 62 -0.742 -2.826 -9.174 1.00 0.00 C ATOM 926 O ILE A 62 0.255 -2.247 -8.741 1.00 0.00 O ATOM 927 CB ILE A 62 -1.879 -1.380 -10.861 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.173 -2.368 -11.992 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.482 -0.796 -11.010 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.222 -1.724 -13.359 1.00 0.00 C ATOM 0 H ILE A 62 -1.681 -0.348 -8.350 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.859 -2.776 -9.540 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.600 -0.565 -10.920 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.409 -3.145 -11.993 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.126 -2.859 -11.796 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.392 -0.311 -11.982 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.308 -0.064 -10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.256 -1.594 -10.933 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.435 -2.483 -14.112 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.006 -0.966 -13.376 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.261 -1.257 -13.576 1.00 0.00 H new ATOM 942 N PRO A 63 -0.762 -4.149 -9.394 1.00 0.00 N ATOM 943 CA PRO A 63 0.396 -5.011 -9.139 1.00 0.00 C ATOM 944 C PRO A 63 1.531 -4.765 -10.128 1.00 0.00 C ATOM 945 O PRO A 63 1.452 -5.163 -11.290 1.00 0.00 O ATOM 946 CB PRO A 63 -0.169 -6.423 -9.314 1.00 0.00 C ATOM 947 CG PRO A 63 -1.335 -6.255 -10.226 1.00 0.00 C ATOM 948 CD PRO A 63 -1.916 -4.904 -9.909 1.00 0.00 C ATOM 0 HA PRO A 63 0.831 -4.829 -8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.574 -7.096 -9.741 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.473 -6.849 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.026 -6.312 -11.270 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.071 -7.043 -10.068 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.342 -4.432 -10.794 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.714 -4.973 -9.169 1.00 0.00 H new ATOM 956 N VAL A 64 2.586 -4.106 -9.658 1.00 0.00 N ATOM 957 CA VAL A 64 3.738 -3.808 -10.500 1.00 0.00 C ATOM 958 C VAL A 64 4.568 -5.060 -10.759 1.00 0.00 C ATOM 959 O VAL A 64 4.440 -6.060 -10.052 1.00 0.00 O ATOM 960 CB VAL A 64 4.636 -2.732 -9.862 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.889 -1.413 -9.745 1.00 0.00 C ATOM 962 CG2 VAL A 64 5.136 -3.195 -8.501 1.00 0.00 C ATOM 0 H VAL A 64 2.666 -3.769 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 64 3.350 -3.432 -11.446 1.00 0.00 H new ATOM 0 HB VAL A 64 5.500 -2.575 -10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.540 -0.665 -9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.586 -1.077 -10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.005 -1.550 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.769 -2.423 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.286 -3.381 -7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.712 -4.113 -8.618 1.00 0.00 H new ATOM 972 N SER A 65 5.421 -4.999 -11.776 1.00 0.00 N ATOM 973 CA SER A 65 6.271 -6.129 -12.131 1.00 0.00 C ATOM 974 C SER A 65 7.695 -5.918 -11.625 1.00 0.00 C ATOM 975 O SER A 65 8.378 -4.981 -12.035 1.00 0.00 O ATOM 976 CB SER A 65 6.281 -6.331 -13.647 1.00 0.00 C ATOM 977 OG SER A 65 7.286 -7.253 -14.032 1.00 0.00 O ATOM 0 H SER A 65 5.542 -4.178 -12.369 1.00 0.00 H new ATOM 0 HA SER A 65 5.864 -7.021 -11.656 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.306 -6.692 -13.975 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.450 -5.375 -14.143 1.00 0.00 H new ATOM 0 HG SER A 65 7.271 -7.366 -15.005 1.00 0.00 H new ATOM 983 N GLY A 66 8.135 -6.798 -10.730 1.00 0.00 N ATOM 984 CA GLY A 66 9.474 -6.691 -10.182 1.00 0.00 C ATOM 985 C GLY A 66 10.063 -8.041 -9.823 1.00 0.00 C ATOM 986 O GLY A 66 9.357 -8.959 -9.407 1.00 0.00 O ATOM 0 H GLY A 66 7.588 -7.582 -10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.121 -6.197 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.450 -6.060 -9.293 1.00 0.00 H new ATOM 990 N PRO A 67 11.387 -8.175 -9.987 1.00 0.00 N ATOM 991 CA PRO A 67 12.100 -9.420 -9.685 1.00 0.00 C ATOM 992 C PRO A 67 12.157 -9.707 -8.188 1.00 0.00 C ATOM 993 O PRO A 67 12.082 -8.792 -7.368 1.00 0.00 O ATOM 994 CB PRO A 67 13.506 -9.167 -10.235 1.00 0.00 C ATOM 995 CG PRO A 67 13.660 -7.685 -10.213 1.00 0.00 C ATOM 996 CD PRO A 67 12.291 -7.122 -10.480 1.00 0.00 C ATOM 0 HA PRO A 67 11.607 -10.288 -10.122 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.265 -9.653 -9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.613 -9.561 -11.246 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.040 -7.346 -9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.372 -7.355 -10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.135 -6.180 -9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.137 -6.925 -11.541 1.00 0.00 H new ATOM 1004 N SER A 68 12.292 -10.982 -7.839 1.00 0.00 N ATOM 1005 CA SER A 68 12.356 -11.389 -6.440 1.00 0.00 C ATOM 1006 C SER A 68 13.743 -11.126 -5.861 1.00 0.00 C ATOM 1007 O SER A 68 13.877 -10.642 -4.737 1.00 0.00 O ATOM 1008 CB SER A 68 12.006 -12.872 -6.302 1.00 0.00 C ATOM 1009 OG SER A 68 10.612 -13.052 -6.124 1.00 0.00 O ATOM 0 H SER A 68 12.359 -11.751 -8.506 1.00 0.00 H new ATOM 0 HA SER A 68 11.630 -10.798 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.335 -13.411 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.542 -13.298 -5.454 1.00 0.00 H new ATOM 0 HG SER A 68 10.414 -14.008 -6.040 1.00 0.00 H new ATOM 1015 N SER A 69 14.772 -11.448 -6.637 1.00 0.00 N ATOM 1016 CA SER A 69 16.150 -11.251 -6.201 1.00 0.00 C ATOM 1017 C SER A 69 16.950 -10.492 -7.255 1.00 0.00 C ATOM 1018 O SER A 69 16.810 -10.736 -8.453 1.00 0.00 O ATOM 1019 CB SER A 69 16.814 -12.599 -5.914 1.00 0.00 C ATOM 1020 OG SER A 69 16.950 -13.364 -7.099 1.00 0.00 O ATOM 0 H SER A 69 14.678 -11.847 -7.571 1.00 0.00 H new ATOM 0 HA SER A 69 16.134 -10.659 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.795 -12.437 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.220 -13.153 -5.186 1.00 0.00 H new ATOM 0 HG SER A 69 17.379 -14.220 -6.889 1.00 0.00 H new ATOM 1026 N GLY A 70 17.790 -9.567 -6.799 1.00 0.00 N ATOM 1027 CA GLY A 70 18.601 -8.785 -7.714 1.00 0.00 C ATOM 1028 C GLY A 70 17.775 -8.125 -8.800 1.00 0.00 C ATOM 1029 O GLY A 70 16.597 -7.827 -8.600 1.00 0.00 O ATOM 0 H GLY A 70 17.923 -9.346 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.139 -8.019 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.350 -9.430 -8.173 1.00 0.00 H new TER 1033 GLY A 70