USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 4 LYS NZ :NH3+ 174:sc= 2.18 (180deg=1.13) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= 0.828 USER MOD Set 2.1: A 5 HIS :FLIP no HD1:sc= -0.121 F(o=-0.85,f=-0.3) USER MOD Set 2.2: A 6 SER OG : rot -160:sc= -0.18 USER MOD Single : A 8 SER OG : rot -27:sc= 0.0253 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0736) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 0.809 (180deg=0.295) USER MOD Single : A 44 THR OG1 : rot -98:sc= 1.48 USER MOD Single : A 46 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-6.6!) USER MOD Single : A 50 SER OG : rot -92:sc= 1.28 USER MOD Single : A 54 TYR OH : rot 15:sc= 1.27 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 131:sc= 0.626 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= 1.23 (180deg=1.05) USER MOD Single : A 78 ASN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.05) USER MOD Single : A 81 SER OG : rot 180:sc=-0.000294 USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.16) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.21 F(o=-2.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.554 10.270 -10.354 1.00 0.00 N ATOM 2 CA GLU A 2 11.160 9.224 -9.408 1.00 0.00 C ATOM 3 C GLU A 2 11.601 9.672 -8.013 1.00 0.00 C ATOM 4 O GLU A 2 12.285 10.689 -7.901 1.00 0.00 O ATOM 5 CB GLU A 2 11.827 7.879 -9.792 1.00 0.00 C ATOM 6 CG GLU A 2 11.319 6.665 -9.020 1.00 0.00 C ATOM 7 CD GLU A 2 12.003 5.396 -9.410 1.00 0.00 C ATOM 8 OE1 GLU A 2 11.590 4.767 -10.407 1.00 0.00 O ATOM 9 OE2 GLU A 2 12.957 4.986 -8.715 1.00 0.00 O ATOM 0 HA GLU A 2 10.081 9.072 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.672 7.705 -10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.902 7.966 -9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.461 6.835 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.247 6.559 -9.186 1.00 0.00 H new ATOM 16 N LEU A 3 11.207 8.916 -6.974 1.00 0.00 N ATOM 17 CA LEU A 3 11.497 9.197 -5.568 1.00 0.00 C ATOM 18 C LEU A 3 10.605 10.294 -5.067 1.00 0.00 C ATOM 19 O LEU A 3 10.928 11.477 -5.154 1.00 0.00 O ATOM 20 CB LEU A 3 12.992 9.465 -5.269 1.00 0.00 C ATOM 21 CG LEU A 3 13.954 8.296 -5.529 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.388 8.710 -5.240 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.572 7.083 -4.683 1.00 0.00 C ATOM 0 H LEU A 3 10.660 8.065 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 3 11.276 8.286 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.315 10.315 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.085 9.760 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 3 13.877 8.021 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.055 7.869 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.663 9.544 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.476 9.014 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.266 6.267 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.617 7.347 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.559 6.768 -4.935 1.00 0.00 H new ATOM 35 N LYS A 4 9.445 9.883 -4.610 1.00 0.00 N ATOM 36 CA LYS A 4 8.396 10.778 -4.123 1.00 0.00 C ATOM 37 C LYS A 4 8.791 11.498 -2.833 1.00 0.00 C ATOM 38 O LYS A 4 9.877 11.282 -2.270 1.00 0.00 O ATOM 39 CB LYS A 4 7.094 10.003 -3.833 1.00 0.00 C ATOM 40 CG LYS A 4 7.149 9.057 -2.609 1.00 0.00 C ATOM 41 CD LYS A 4 7.952 7.795 -2.863 1.00 0.00 C ATOM 42 CE LYS A 4 7.961 6.873 -1.655 1.00 0.00 C ATOM 43 NZ LYS A 4 8.467 5.530 -2.023 1.00 0.00 N ATOM 0 H LYS A 4 9.189 8.897 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 4 8.246 11.510 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.289 10.721 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.835 9.416 -4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.583 9.592 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.133 8.782 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.535 7.266 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.976 8.063 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.586 7.300 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.953 6.788 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.561 4.948 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.800 5.076 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.396 5.623 -2.482 1.00 0.00 H new ATOM 57 N HIS A 5 7.906 12.354 -2.376 1.00 0.00 N ATOM 58 CA HIS A 5 8.071 12.997 -1.101 1.00 0.00 C ATOM 59 C HIS A 5 7.126 12.370 -0.065 1.00 0.00 C ATOM 60 O HIS A 5 7.434 12.338 1.118 1.00 0.00 O ATOM 61 CB HIS A 5 7.889 14.536 -1.193 1.00 0.00 C ATOM 62 CG HIS A 5 6.526 15.028 -1.625 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.460 15.405 -0.879 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 6.144 15.199 -2.937 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 4.427 15.805 -1.720 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.894 15.661 -2.951 1.00 0.00 N flip ATOM 0 H HIS A 5 7.058 12.620 -2.877 1.00 0.00 H new ATOM 0 HA HIS A 5 9.097 12.833 -0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.113 14.965 -0.217 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.630 14.926 -1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.753 14.994 -3.805 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.449 16.159 -1.430 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.367 15.875 -3.798 1.00 0.00 H new ATOM 74 N SER A 6 5.999 11.830 -0.531 1.00 0.00 N ATOM 75 CA SER A 6 5.016 11.235 0.358 1.00 0.00 C ATOM 76 C SER A 6 4.113 10.294 -0.426 1.00 0.00 C ATOM 77 O SER A 6 4.259 10.164 -1.651 1.00 0.00 O ATOM 78 CB SER A 6 4.161 12.348 0.964 1.00 0.00 C ATOM 79 OG SER A 6 3.439 13.030 -0.065 1.00 0.00 O ATOM 0 H SER A 6 5.750 11.795 -1.519 1.00 0.00 H new ATOM 0 HA SER A 6 5.527 10.677 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.465 11.928 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.796 13.053 1.502 1.00 0.00 H new ATOM 0 HG SER A 6 3.156 13.910 0.262 1.00 0.00 H new ATOM 85 N ILE A 7 3.165 9.669 0.269 1.00 0.00 N ATOM 86 CA ILE A 7 2.175 8.811 -0.363 1.00 0.00 C ATOM 87 C ILE A 7 1.193 9.675 -1.165 1.00 0.00 C ATOM 88 O ILE A 7 0.595 9.228 -2.135 1.00 0.00 O ATOM 89 CB ILE A 7 1.384 7.972 0.681 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.484 6.957 -0.033 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.562 8.876 1.610 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.318 6.089 0.891 1.00 0.00 C ATOM 0 H ILE A 7 3.065 9.745 1.281 1.00 0.00 H new ATOM 0 HA ILE A 7 2.702 8.119 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 7 2.099 7.429 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.198 7.494 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.103 6.321 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.020 8.262 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.229 9.554 2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.148 9.455 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.927 5.400 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.356 5.522 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.966 6.714 1.506 1.00 0.00 H new ATOM 104 N SER A 8 1.094 10.936 -0.773 1.00 0.00 N ATOM 105 CA SER A 8 0.215 11.883 -1.398 1.00 0.00 C ATOM 106 C SER A 8 0.743 12.240 -2.787 1.00 0.00 C ATOM 107 O SER A 8 0.042 12.841 -3.603 1.00 0.00 O ATOM 108 CB SER A 8 0.096 13.130 -0.501 1.00 0.00 C ATOM 109 OG SER A 8 -0.775 14.120 -1.041 1.00 0.00 O ATOM 0 H SER A 8 1.634 11.325 -0.000 1.00 0.00 H new ATOM 0 HA SER A 8 -0.778 11.451 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.267 12.831 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.086 13.564 -0.357 1.00 0.00 H new ATOM 0 HG SER A 8 -0.798 14.038 -2.017 1.00 0.00 H new ATOM 115 N ASP A 9 1.985 11.875 -3.058 1.00 0.00 N ATOM 116 CA ASP A 9 2.537 12.104 -4.374 1.00 0.00 C ATOM 117 C ASP A 9 2.288 10.887 -5.283 1.00 0.00 C ATOM 118 O ASP A 9 2.547 10.917 -6.484 1.00 0.00 O ATOM 119 CB ASP A 9 4.011 12.472 -4.306 1.00 0.00 C ATOM 120 CG ASP A 9 4.532 12.993 -5.625 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.965 13.973 -6.149 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.542 12.471 -6.136 1.00 0.00 O ATOM 0 H ASP A 9 2.617 11.427 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 9 2.023 12.958 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.160 13.228 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.589 11.597 -4.010 1.00 0.00 H new ATOM 127 N TYR A 10 1.768 9.828 -4.710 1.00 0.00 N ATOM 128 CA TYR A 10 1.365 8.668 -5.482 1.00 0.00 C ATOM 129 C TYR A 10 -0.065 8.848 -5.865 1.00 0.00 C ATOM 130 O TYR A 10 -0.845 9.353 -5.074 1.00 0.00 O ATOM 131 CB TYR A 10 1.440 7.362 -4.671 1.00 0.00 C ATOM 132 CG TYR A 10 2.794 6.738 -4.499 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.668 7.169 -3.530 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.176 5.665 -5.294 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.881 6.559 -3.361 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.397 5.053 -5.132 1.00 0.00 C ATOM 137 CZ TYR A 10 5.247 5.506 -4.161 1.00 0.00 C ATOM 138 OH TYR A 10 6.477 4.901 -3.975 1.00 0.00 O ATOM 0 H TYR A 10 1.612 9.742 -3.706 1.00 0.00 H new ATOM 0 HA TYR A 10 2.038 8.591 -6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.029 7.556 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.789 6.630 -5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.394 7.998 -2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.500 5.304 -6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.555 6.909 -2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.681 4.225 -5.764 1.00 0.00 H new ATOM 0 HH TYR A 10 6.584 4.171 -4.621 1.00 0.00 H new ATOM 148 N THR A 11 -0.419 8.476 -7.054 1.00 0.00 N ATOM 149 CA THR A 11 -1.801 8.450 -7.400 1.00 0.00 C ATOM 150 C THR A 11 -2.342 7.149 -6.852 1.00 0.00 C ATOM 151 O THR A 11 -1.540 6.280 -6.425 1.00 0.00 O ATOM 152 CB THR A 11 -1.999 8.491 -8.928 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.280 7.409 -9.543 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.526 9.814 -9.502 1.00 0.00 C ATOM 0 H THR A 11 0.223 8.189 -7.793 1.00 0.00 H new ATOM 0 HA THR A 11 -2.316 9.318 -6.989 1.00 0.00 H new ATOM 0 HB THR A 11 -3.064 8.387 -9.138 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.411 7.439 -10.514 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.677 9.817 -10.582 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.094 10.629 -9.054 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.467 9.948 -9.283 1.00 0.00 H new ATOM 162 N GLU A 12 -3.647 6.968 -6.861 1.00 0.00 N ATOM 163 CA GLU A 12 -4.218 5.729 -6.392 1.00 0.00 C ATOM 164 C GLU A 12 -3.686 4.589 -7.263 1.00 0.00 C ATOM 165 O GLU A 12 -3.414 3.512 -6.788 1.00 0.00 O ATOM 166 CB GLU A 12 -5.746 5.790 -6.425 1.00 0.00 C ATOM 167 CG GLU A 12 -6.432 4.590 -5.786 1.00 0.00 C ATOM 168 CD GLU A 12 -7.931 4.706 -5.814 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.511 5.325 -4.903 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.565 4.182 -6.754 1.00 0.00 O ATOM 0 H GLU A 12 -4.324 7.658 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.929 5.555 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.073 6.696 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.073 5.872 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.131 3.682 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.097 4.490 -4.754 1.00 0.00 H new ATOM 177 N ALA A 13 -3.440 4.909 -8.523 1.00 0.00 N ATOM 178 CA ALA A 13 -2.901 3.960 -9.487 1.00 0.00 C ATOM 179 C ALA A 13 -1.433 3.617 -9.198 1.00 0.00 C ATOM 180 O ALA A 13 -1.064 2.455 -9.212 1.00 0.00 O ATOM 181 CB ALA A 13 -3.043 4.497 -10.894 1.00 0.00 C ATOM 0 H ALA A 13 -3.609 5.838 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.479 3.041 -9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.635 3.775 -11.602 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.097 4.666 -11.114 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.499 5.438 -10.981 1.00 0.00 H new ATOM 187 N GLU A 14 -0.596 4.628 -8.947 1.00 0.00 N ATOM 188 CA GLU A 14 0.835 4.394 -8.637 1.00 0.00 C ATOM 189 C GLU A 14 0.983 3.655 -7.335 1.00 0.00 C ATOM 190 O GLU A 14 1.905 2.864 -7.149 1.00 0.00 O ATOM 191 CB GLU A 14 1.615 5.702 -8.573 1.00 0.00 C ATOM 192 CG GLU A 14 1.698 6.444 -9.883 1.00 0.00 C ATOM 193 CD GLU A 14 2.506 5.714 -10.927 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.963 4.813 -11.604 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.696 6.053 -11.107 1.00 0.00 O ATOM 0 H GLU A 14 -0.872 5.610 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 14 1.245 3.787 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.151 6.351 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.626 5.491 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.690 6.611 -10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.140 7.425 -9.710 1.00 0.00 H new ATOM 202 N PHE A 15 0.080 3.907 -6.439 1.00 0.00 N ATOM 203 CA PHE A 15 0.081 3.221 -5.189 1.00 0.00 C ATOM 204 C PHE A 15 -0.457 1.837 -5.372 1.00 0.00 C ATOM 205 O PHE A 15 -0.037 0.932 -4.731 1.00 0.00 O ATOM 206 CB PHE A 15 -0.706 3.974 -4.154 1.00 0.00 C ATOM 207 CG PHE A 15 -0.609 3.355 -2.814 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.463 3.639 -2.003 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.585 2.482 -2.364 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.563 3.075 -0.770 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.488 1.917 -1.131 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.412 2.217 -0.334 1.00 0.00 C ATOM 0 H PHE A 15 -0.671 4.588 -6.553 1.00 0.00 H new ATOM 0 HA PHE A 15 1.108 3.155 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.346 5.002 -4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.752 4.017 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.232 4.315 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.429 2.248 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.408 3.302 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.252 1.238 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.333 1.772 0.647 1.00 0.00 H new ATOM 222 N LEU A 16 -1.369 1.674 -6.254 1.00 0.00 N ATOM 223 CA LEU A 16 -1.904 0.362 -6.526 1.00 0.00 C ATOM 224 C LEU A 16 -0.852 -0.473 -7.230 1.00 0.00 C ATOM 225 O LEU A 16 -0.854 -1.700 -7.182 1.00 0.00 O ATOM 226 CB LEU A 16 -3.223 0.508 -7.287 1.00 0.00 C ATOM 227 CG LEU A 16 -4.063 -0.712 -7.395 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.525 -0.343 -7.457 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.725 -1.484 -8.599 1.00 0.00 C ATOM 0 H LEU A 16 -1.773 2.426 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.144 -0.177 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.812 1.286 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.999 0.858 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.869 -1.319 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.126 -1.249 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.802 0.199 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.704 0.288 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.356 -2.371 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.890 -0.869 -9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.678 -1.785 -8.556 1.00 0.00 H new ATOM 241 N GLU A 17 0.049 0.198 -7.828 1.00 0.00 N ATOM 242 CA GLU A 17 1.198 -0.429 -8.364 1.00 0.00 C ATOM 243 C GLU A 17 2.177 -0.833 -7.241 1.00 0.00 C ATOM 244 O GLU A 17 2.975 -1.705 -7.457 1.00 0.00 O ATOM 245 CB GLU A 17 1.903 0.447 -9.389 1.00 0.00 C ATOM 246 CG GLU A 17 1.172 0.602 -10.705 1.00 0.00 C ATOM 247 CD GLU A 17 1.079 -0.692 -11.460 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.129 -1.183 -11.959 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.023 -1.251 -11.568 1.00 0.00 O ATOM 0 H GLU A 17 0.015 1.208 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 17 0.859 -1.328 -8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.056 1.436 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.890 0.029 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.168 0.984 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.686 1.342 -11.319 1.00 0.00 H new ATOM 256 N PHE A 18 2.081 -0.197 -6.027 1.00 0.00 N ATOM 257 CA PHE A 18 2.977 -0.535 -4.862 1.00 0.00 C ATOM 258 C PHE A 18 2.857 -1.993 -4.589 1.00 0.00 C ATOM 259 O PHE A 18 3.827 -2.724 -4.542 1.00 0.00 O ATOM 260 CB PHE A 18 2.633 0.292 -3.506 1.00 0.00 C ATOM 261 CG PHE A 18 1.839 -0.448 -2.333 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.446 -0.581 -2.351 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.507 -1.000 -1.236 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.239 -1.238 -1.323 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.812 -1.649 -0.216 1.00 0.00 C ATOM 266 CZ PHE A 18 0.448 -1.768 -0.266 1.00 0.00 C ATOM 0 H PHE A 18 1.405 0.541 -5.830 1.00 0.00 H new ATOM 0 HA PHE A 18 3.992 -0.253 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.575 0.652 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.055 1.170 -3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.113 -0.167 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.583 -0.922 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.315 -1.327 -1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.354 -2.062 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.082 -2.278 0.525 1.00 0.00 H new ATOM 276 N VAL A 19 1.646 -2.399 -4.486 1.00 0.00 N ATOM 277 CA VAL A 19 1.308 -3.728 -4.110 1.00 0.00 C ATOM 278 C VAL A 19 1.588 -4.715 -5.229 1.00 0.00 C ATOM 279 O VAL A 19 2.069 -5.830 -4.983 1.00 0.00 O ATOM 280 CB VAL A 19 -0.152 -3.794 -3.598 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.144 -3.311 -4.626 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.502 -5.153 -3.045 1.00 0.00 C ATOM 0 H VAL A 19 0.838 -1.803 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 19 1.951 -4.027 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.221 -3.098 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.152 -3.378 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.925 -2.275 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.073 -3.931 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.535 -5.150 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.383 -5.905 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.159 -5.388 -2.211 1.00 0.00 H new ATOM 292 N LYS A 20 1.327 -4.295 -6.451 1.00 0.00 N ATOM 293 CA LYS A 20 1.626 -5.116 -7.590 1.00 0.00 C ATOM 294 C LYS A 20 3.132 -5.318 -7.675 1.00 0.00 C ATOM 295 O LYS A 20 3.610 -6.431 -7.872 1.00 0.00 O ATOM 296 CB LYS A 20 1.119 -4.496 -8.866 1.00 0.00 C ATOM 297 CG LYS A 20 -0.375 -4.409 -8.920 1.00 0.00 C ATOM 298 CD LYS A 20 -0.828 -4.028 -10.283 1.00 0.00 C ATOM 299 CE LYS A 20 -2.320 -3.951 -10.389 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.771 -3.724 -11.777 1.00 0.00 N ATOM 0 H LYS A 20 0.909 -3.391 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 20 1.124 -6.076 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.540 -3.496 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.474 -5.081 -9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.811 -5.368 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.728 -3.676 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.397 -3.063 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.452 -4.754 -11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.757 -4.876 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.686 -3.145 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.810 -3.678 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.376 -2.828 -12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.445 -4.506 -12.380 1.00 0.00 H new ATOM 314 N LYS A 21 3.859 -4.212 -7.469 1.00 0.00 N ATOM 315 CA LYS A 21 5.314 -4.179 -7.423 1.00 0.00 C ATOM 316 C LYS A 21 5.796 -5.154 -6.388 1.00 0.00 C ATOM 317 O LYS A 21 6.599 -5.982 -6.681 1.00 0.00 O ATOM 318 CB LYS A 21 5.810 -2.763 -7.052 1.00 0.00 C ATOM 319 CG LYS A 21 7.318 -2.626 -6.880 1.00 0.00 C ATOM 320 CD LYS A 21 7.692 -1.276 -6.258 1.00 0.00 C ATOM 321 CE LYS A 21 7.300 -0.094 -7.138 1.00 0.00 C ATOM 322 NZ LYS A 21 8.031 -0.090 -8.414 1.00 0.00 N ATOM 0 H LYS A 21 3.434 -3.296 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 21 5.705 -4.446 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.484 -2.068 -7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.326 -2.458 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.688 -3.434 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.807 -2.729 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.204 -1.180 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.767 -1.249 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.228 -0.128 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.497 0.836 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.838 0.797 -8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.052 -0.168 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.721 -0.896 -8.994 1.00 0.00 H new ATOM 336 N ILE A 22 5.259 -5.063 -5.198 1.00 0.00 N ATOM 337 CA ILE A 22 5.633 -5.944 -4.108 1.00 0.00 C ATOM 338 C ILE A 22 5.463 -7.424 -4.496 1.00 0.00 C ATOM 339 O ILE A 22 6.367 -8.240 -4.308 1.00 0.00 O ATOM 340 CB ILE A 22 4.844 -5.600 -2.817 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.252 -4.209 -2.340 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.095 -6.632 -1.726 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.511 -3.710 -1.145 1.00 0.00 C ATOM 0 H ILE A 22 4.547 -4.375 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 22 6.691 -5.784 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 22 3.777 -5.614 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.318 -4.218 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.108 -3.504 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.529 -6.364 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.778 -7.615 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.158 -6.657 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.871 -2.715 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.446 -3.662 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.674 -4.387 -0.307 1.00 0.00 H new ATOM 355 N CYS A 23 4.353 -7.734 -5.105 1.00 0.00 N ATOM 356 CA CYS A 23 4.061 -9.082 -5.522 1.00 0.00 C ATOM 357 C CYS A 23 5.074 -9.589 -6.593 1.00 0.00 C ATOM 358 O CYS A 23 5.488 -10.745 -6.562 1.00 0.00 O ATOM 359 CB CYS A 23 2.627 -9.156 -6.053 1.00 0.00 C ATOM 360 SG CYS A 23 2.101 -10.801 -6.562 1.00 0.00 S ATOM 0 H CYS A 23 3.621 -7.059 -5.328 1.00 0.00 H new ATOM 0 HA CYS A 23 4.159 -9.736 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.948 -8.795 -5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.533 -8.479 -6.902 1.00 0.00 H new ATOM 0 HG CYS A 23 0.875 -10.751 -6.992 1.00 0.00 H new ATOM 366 N ARG A 24 5.496 -8.706 -7.490 1.00 0.00 N ATOM 367 CA ARG A 24 6.360 -9.093 -8.610 1.00 0.00 C ATOM 368 C ARG A 24 7.865 -8.860 -8.369 1.00 0.00 C ATOM 369 O ARG A 24 8.694 -9.674 -8.748 1.00 0.00 O ATOM 370 CB ARG A 24 5.897 -8.396 -9.886 1.00 0.00 C ATOM 371 CG ARG A 24 5.913 -6.896 -9.845 1.00 0.00 C ATOM 372 CD ARG A 24 5.298 -6.350 -11.096 1.00 0.00 C ATOM 373 NE ARG A 24 5.254 -4.877 -11.111 1.00 0.00 N ATOM 374 CZ ARG A 24 4.169 -4.144 -11.450 1.00 0.00 C ATOM 375 NH1 ARG A 24 3.008 -4.735 -11.731 1.00 0.00 N ATOM 376 NH2 ARG A 24 4.245 -2.823 -11.476 1.00 0.00 N ATOM 0 H ARG A 24 5.256 -7.715 -7.468 1.00 0.00 H new ATOM 0 HA ARG A 24 6.257 -10.173 -8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.530 -8.726 -10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.883 -8.725 -10.111 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.364 -6.541 -8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.937 -6.536 -9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.865 -6.701 -11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.286 -6.741 -11.199 1.00 0.00 H new ATOM 0 HE ARG A 24 6.102 -4.375 -10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.930 -5.751 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.197 -4.171 -11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.122 -2.358 -11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.427 -2.270 -11.732 1.00 0.00 H new ATOM 390 N ALA A 25 8.183 -7.798 -7.687 1.00 0.00 N ATOM 391 CA ALA A 25 9.551 -7.323 -7.465 1.00 0.00 C ATOM 392 C ALA A 25 10.135 -7.848 -6.159 1.00 0.00 C ATOM 393 O ALA A 25 11.050 -7.254 -5.612 1.00 0.00 O ATOM 394 CB ALA A 25 9.584 -5.801 -7.496 1.00 0.00 C ATOM 0 H ALA A 25 7.481 -7.204 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 25 10.173 -7.712 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.604 -5.456 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.235 -5.449 -8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.936 -5.407 -6.713 1.00 0.00 H new ATOM 400 N GLU A 26 9.581 -8.970 -5.686 1.00 0.00 N ATOM 401 CA GLU A 26 9.940 -9.646 -4.408 1.00 0.00 C ATOM 402 C GLU A 26 11.472 -9.822 -4.156 1.00 0.00 C ATOM 403 O GLU A 26 11.888 -10.125 -3.029 1.00 0.00 O ATOM 404 CB GLU A 26 9.217 -10.990 -4.321 1.00 0.00 C ATOM 405 CG GLU A 26 9.527 -11.934 -5.465 1.00 0.00 C ATOM 406 CD GLU A 26 8.777 -13.231 -5.368 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.147 -14.086 -4.539 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.814 -13.433 -6.125 1.00 0.00 O ATOM 0 H GLU A 26 8.843 -9.460 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 26 9.609 -8.978 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.484 -11.474 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.142 -10.811 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.281 -11.447 -6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.597 -12.139 -5.481 1.00 0.00 H new ATOM 415 N GLY A 27 12.272 -9.702 -5.198 1.00 0.00 N ATOM 416 CA GLY A 27 13.705 -9.677 -5.043 1.00 0.00 C ATOM 417 C GLY A 27 14.333 -11.040 -4.959 1.00 0.00 C ATOM 418 O GLY A 27 13.766 -12.026 -5.440 1.00 0.00 O ATOM 0 H GLY A 27 11.948 -9.620 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.142 -9.138 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.953 -9.117 -4.141 1.00 0.00 H new ATOM 422 N ALA A 28 15.497 -11.098 -4.351 1.00 0.00 N ATOM 423 CA ALA A 28 16.233 -12.340 -4.231 1.00 0.00 C ATOM 424 C ALA A 28 15.777 -13.096 -3.009 1.00 0.00 C ATOM 425 O ALA A 28 15.533 -14.290 -3.054 1.00 0.00 O ATOM 426 CB ALA A 28 17.725 -12.068 -4.150 1.00 0.00 C ATOM 0 H ALA A 28 15.959 -10.293 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 28 16.038 -12.946 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.263 -13.012 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.050 -11.550 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.935 -11.447 -3.279 1.00 0.00 H new ATOM 432 N THR A 29 15.666 -12.397 -1.926 1.00 0.00 N ATOM 433 CA THR A 29 15.233 -12.968 -0.696 1.00 0.00 C ATOM 434 C THR A 29 14.003 -12.175 -0.263 1.00 0.00 C ATOM 435 O THR A 29 13.860 -11.016 -0.649 1.00 0.00 O ATOM 436 CB THR A 29 16.357 -12.834 0.349 1.00 0.00 C ATOM 437 OG1 THR A 29 17.618 -13.111 -0.289 1.00 0.00 O ATOM 438 CG2 THR A 29 16.177 -13.827 1.481 1.00 0.00 C ATOM 0 H THR A 29 15.877 -11.400 -1.872 1.00 0.00 H new ATOM 0 HA THR A 29 14.994 -14.026 -0.799 1.00 0.00 H new ATOM 0 HB THR A 29 16.327 -11.823 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.342 -13.027 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.986 -13.707 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.222 -13.647 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.194 -14.841 1.082 1.00 0.00 H new ATOM 446 N GLU A 30 13.158 -12.748 0.557 1.00 0.00 N ATOM 447 CA GLU A 30 11.885 -12.113 0.921 1.00 0.00 C ATOM 448 C GLU A 30 12.051 -10.905 1.844 1.00 0.00 C ATOM 449 O GLU A 30 11.090 -10.188 2.136 1.00 0.00 O ATOM 450 CB GLU A 30 10.820 -13.119 1.438 1.00 0.00 C ATOM 451 CG GLU A 30 11.215 -13.984 2.639 1.00 0.00 C ATOM 452 CD GLU A 30 12.347 -14.915 2.335 1.00 0.00 C ATOM 453 OE1 GLU A 30 12.160 -15.880 1.571 1.00 0.00 O ATOM 454 OE2 GLU A 30 13.460 -14.645 2.781 1.00 0.00 O ATOM 0 H GLU A 30 13.316 -13.656 0.994 1.00 0.00 H new ATOM 0 HA GLU A 30 11.491 -11.718 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.923 -12.559 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.551 -13.782 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.496 -13.337 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.351 -14.564 2.964 1.00 0.00 H new ATOM 461 N GLU A 31 13.276 -10.663 2.275 1.00 0.00 N ATOM 462 CA GLU A 31 13.583 -9.477 3.044 1.00 0.00 C ATOM 463 C GLU A 31 13.613 -8.259 2.121 1.00 0.00 C ATOM 464 O GLU A 31 13.310 -7.141 2.537 1.00 0.00 O ATOM 465 CB GLU A 31 14.914 -9.608 3.784 1.00 0.00 C ATOM 466 CG GLU A 31 16.126 -9.874 2.907 1.00 0.00 C ATOM 467 CD GLU A 31 17.396 -9.747 3.690 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.764 -10.698 4.408 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.045 -8.684 3.629 1.00 0.00 O ATOM 0 H GLU A 31 14.074 -11.275 2.104 1.00 0.00 H new ATOM 0 HA GLU A 31 12.802 -9.352 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.089 -8.691 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.828 -10.416 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.057 -10.874 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.137 -9.171 2.074 1.00 0.00 H new ATOM 476 N ASP A 32 13.936 -8.501 0.848 1.00 0.00 N ATOM 477 CA ASP A 32 13.997 -7.443 -0.163 1.00 0.00 C ATOM 478 C ASP A 32 12.586 -6.978 -0.427 1.00 0.00 C ATOM 479 O ASP A 32 12.322 -5.795 -0.628 1.00 0.00 O ATOM 480 CB ASP A 32 14.664 -7.970 -1.446 1.00 0.00 C ATOM 481 CG ASP A 32 14.957 -6.901 -2.486 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.999 -6.210 -2.373 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.196 -6.756 -3.433 1.00 0.00 O ATOM 0 H ASP A 32 14.161 -9.430 0.491 1.00 0.00 H new ATOM 0 HA ASP A 32 14.599 -6.605 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.598 -8.465 -1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.018 -8.726 -1.892 1.00 0.00 H new ATOM 488 N ASP A 33 11.691 -7.935 -0.345 1.00 0.00 N ATOM 489 CA ASP A 33 10.255 -7.721 -0.431 1.00 0.00 C ATOM 490 C ASP A 33 9.772 -6.905 0.767 1.00 0.00 C ATOM 491 O ASP A 33 9.154 -5.844 0.620 1.00 0.00 O ATOM 492 CB ASP A 33 9.556 -9.090 -0.449 1.00 0.00 C ATOM 493 CG ASP A 33 8.046 -9.023 -0.374 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.409 -8.812 -1.407 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.471 -9.245 0.725 1.00 0.00 O ATOM 0 H ASP A 33 11.944 -8.914 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 33 10.018 -7.170 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.839 -9.617 -1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.923 -9.683 0.389 1.00 0.00 H new ATOM 500 N ASN A 34 10.124 -7.385 1.950 1.00 0.00 N ATOM 501 CA ASN A 34 9.718 -6.790 3.212 1.00 0.00 C ATOM 502 C ASN A 34 10.193 -5.341 3.352 1.00 0.00 C ATOM 503 O ASN A 34 9.468 -4.498 3.883 1.00 0.00 O ATOM 504 CB ASN A 34 10.244 -7.641 4.358 1.00 0.00 C ATOM 505 CG ASN A 34 9.839 -7.159 5.732 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.761 -6.608 5.932 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.702 -7.355 6.677 1.00 0.00 N ATOM 0 H ASN A 34 10.710 -8.213 2.061 1.00 0.00 H new ATOM 0 HA ASN A 34 8.629 -6.764 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.891 -8.664 4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.332 -7.670 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.496 -7.047 7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.588 -7.817 6.471 1.00 0.00 H new ATOM 514 N LYS A 35 11.395 -5.029 2.865 1.00 0.00 N ATOM 515 CA LYS A 35 11.867 -3.660 2.959 1.00 0.00 C ATOM 516 C LYS A 35 11.035 -2.687 2.123 1.00 0.00 C ATOM 517 O LYS A 35 10.952 -1.500 2.465 1.00 0.00 O ATOM 518 CB LYS A 35 13.385 -3.488 2.759 1.00 0.00 C ATOM 519 CG LYS A 35 13.970 -4.002 1.460 1.00 0.00 C ATOM 520 CD LYS A 35 15.466 -3.692 1.408 1.00 0.00 C ATOM 521 CE LYS A 35 16.155 -4.310 0.203 1.00 0.00 C ATOM 522 NZ LYS A 35 15.611 -3.830 -1.076 1.00 0.00 N ATOM 0 H LYS A 35 12.035 -5.685 2.417 1.00 0.00 H new ATOM 0 HA LYS A 35 11.704 -3.385 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.619 -2.426 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.894 -3.990 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.809 -5.077 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.463 -3.538 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.608 -2.611 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.940 -4.058 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.221 -4.086 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.055 -5.394 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.842 -4.509 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.578 -3.736 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.027 -2.905 -1.305 1.00 0.00 H new ATOM 536 N LEU A 36 10.410 -3.168 1.040 1.00 0.00 N ATOM 537 CA LEU A 36 9.451 -2.322 0.323 1.00 0.00 C ATOM 538 C LEU A 36 8.244 -2.128 1.201 1.00 0.00 C ATOM 539 O LEU A 36 7.854 -1.003 1.502 1.00 0.00 O ATOM 540 CB LEU A 36 8.989 -2.901 -1.033 1.00 0.00 C ATOM 541 CG LEU A 36 10.010 -2.951 -2.165 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.370 -3.558 -3.400 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.521 -1.553 -2.489 1.00 0.00 C ATOM 0 H LEU A 36 10.544 -4.102 0.653 1.00 0.00 H new ATOM 0 HA LEU A 36 9.960 -1.384 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.630 -3.915 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.136 -2.315 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 36 10.853 -3.565 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.100 -3.593 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.030 -4.569 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.520 -2.949 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.248 -1.610 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.686 -0.922 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.995 -1.125 -1.606 1.00 0.00 H new ATOM 555 N VAL A 37 7.714 -3.238 1.674 1.00 0.00 N ATOM 556 CA VAL A 37 6.510 -3.262 2.494 1.00 0.00 C ATOM 557 C VAL A 37 6.614 -2.304 3.697 1.00 0.00 C ATOM 558 O VAL A 37 5.710 -1.499 3.943 1.00 0.00 O ATOM 559 CB VAL A 37 6.195 -4.691 3.010 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.885 -4.679 3.749 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.137 -5.696 1.869 1.00 0.00 C ATOM 0 H VAL A 37 8.109 -4.162 1.500 1.00 0.00 H new ATOM 0 HA VAL A 37 5.698 -2.929 1.847 1.00 0.00 H new ATOM 0 HB VAL A 37 6.997 -4.996 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.663 -5.683 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.950 -3.994 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.091 -4.352 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.914 -6.686 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.357 -5.404 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.098 -5.719 1.355 1.00 0.00 H new ATOM 571 N ARG A 38 7.742 -2.357 4.389 1.00 0.00 N ATOM 572 CA ARG A 38 7.953 -1.547 5.585 1.00 0.00 C ATOM 573 C ARG A 38 7.984 -0.038 5.308 1.00 0.00 C ATOM 574 O ARG A 38 7.723 0.760 6.220 1.00 0.00 O ATOM 575 CB ARG A 38 9.201 -1.977 6.362 1.00 0.00 C ATOM 576 CG ARG A 38 9.158 -3.413 6.852 1.00 0.00 C ATOM 577 CD ARG A 38 10.308 -3.738 7.799 1.00 0.00 C ATOM 578 NE ARG A 38 11.641 -3.507 7.200 1.00 0.00 N ATOM 579 CZ ARG A 38 12.737 -4.261 7.428 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.682 -5.295 8.254 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.895 -3.957 6.852 1.00 0.00 N ATOM 0 H ARG A 38 8.531 -2.955 4.143 1.00 0.00 H new ATOM 0 HA ARG A 38 7.079 -1.734 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.076 -1.847 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.329 -1.315 7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.211 -3.593 7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.194 -4.087 5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.211 -3.131 8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.232 -4.780 8.108 1.00 0.00 H new ATOM 0 HE ARG A 38 11.739 -2.715 6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.807 -5.527 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.515 -5.860 8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.960 -3.149 6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.719 -4.531 7.029 1.00 0.00 H new ATOM 595 N GLU A 39 8.298 0.383 4.074 1.00 0.00 N ATOM 596 CA GLU A 39 8.267 1.817 3.800 1.00 0.00 C ATOM 597 C GLU A 39 6.845 2.216 3.494 1.00 0.00 C ATOM 598 O GLU A 39 6.362 3.257 3.948 1.00 0.00 O ATOM 599 CB GLU A 39 9.222 2.283 2.670 1.00 0.00 C ATOM 600 CG GLU A 39 8.804 1.942 1.243 1.00 0.00 C ATOM 601 CD GLU A 39 9.691 2.607 0.226 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.850 2.215 0.091 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.250 3.567 -0.438 1.00 0.00 O ATOM 0 H GLU A 39 8.562 -0.215 3.291 1.00 0.00 H new ATOM 0 HA GLU A 39 8.635 2.319 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.335 3.365 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.204 1.847 2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.837 0.862 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.771 2.252 1.083 1.00 0.00 H new ATOM 610 N PHE A 40 6.149 1.342 2.786 1.00 0.00 N ATOM 611 CA PHE A 40 4.791 1.591 2.416 1.00 0.00 C ATOM 612 C PHE A 40 3.891 1.630 3.635 1.00 0.00 C ATOM 613 O PHE A 40 2.992 2.456 3.696 1.00 0.00 O ATOM 614 CB PHE A 40 4.295 0.615 1.357 1.00 0.00 C ATOM 615 CG PHE A 40 4.954 0.783 -0.002 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.724 1.918 -0.767 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.778 -0.202 -0.519 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.306 2.061 -2.018 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.357 -0.068 -1.768 1.00 0.00 C ATOM 620 CZ PHE A 40 6.124 1.062 -2.517 1.00 0.00 C ATOM 0 H PHE A 40 6.519 0.449 2.460 1.00 0.00 H new ATOM 0 HA PHE A 40 4.753 2.578 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.466 -0.403 1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.218 0.736 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.084 2.699 -0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.972 -1.091 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.121 2.951 -2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.992 -0.851 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.578 1.169 -3.491 1.00 0.00 H new ATOM 630 N GLU A 41 4.162 0.768 4.624 1.00 0.00 N ATOM 631 CA GLU A 41 3.456 0.799 5.915 1.00 0.00 C ATOM 632 C GLU A 41 3.567 2.161 6.584 1.00 0.00 C ATOM 633 O GLU A 41 2.662 2.594 7.269 1.00 0.00 O ATOM 634 CB GLU A 41 4.018 -0.233 6.878 1.00 0.00 C ATOM 635 CG GLU A 41 3.588 -1.656 6.640 1.00 0.00 C ATOM 636 CD GLU A 41 4.217 -2.591 7.639 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.451 -2.739 7.644 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.489 -3.147 8.501 1.00 0.00 O ATOM 0 H GLU A 41 4.869 0.036 4.555 1.00 0.00 H new ATOM 0 HA GLU A 41 2.412 0.578 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.106 -0.190 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.730 0.049 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.502 -1.726 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.866 -1.958 5.630 1.00 0.00 H new ATOM 645 N ARG A 42 4.667 2.836 6.365 1.00 0.00 N ATOM 646 CA ARG A 42 4.908 4.102 7.008 1.00 0.00 C ATOM 647 C ARG A 42 4.284 5.223 6.211 1.00 0.00 C ATOM 648 O ARG A 42 3.728 6.154 6.781 1.00 0.00 O ATOM 649 CB ARG A 42 6.402 4.309 7.175 1.00 0.00 C ATOM 650 CG ARG A 42 6.784 5.330 8.221 1.00 0.00 C ATOM 651 CD ARG A 42 6.158 4.977 9.568 1.00 0.00 C ATOM 652 NE ARG A 42 6.390 3.570 9.937 1.00 0.00 N ATOM 653 CZ ARG A 42 5.466 2.749 10.471 1.00 0.00 C ATOM 654 NH1 ARG A 42 4.257 3.212 10.796 1.00 0.00 N ATOM 655 NH2 ARG A 42 5.759 1.480 10.678 1.00 0.00 N ATOM 0 H ARG A 42 5.414 2.527 5.742 1.00 0.00 H new ATOM 0 HA ARG A 42 4.446 4.102 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.861 3.355 7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.822 4.615 6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.869 5.372 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.453 6.321 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.571 5.626 10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.086 5.169 9.530 1.00 0.00 H new ATOM 0 HE ARG A 42 7.322 3.188 9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.028 4.194 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.562 2.584 11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.683 1.124 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.062 0.855 11.082 1.00 0.00 H new ATOM 669 N LEU A 43 4.372 5.114 4.903 1.00 0.00 N ATOM 670 CA LEU A 43 3.746 6.071 3.992 1.00 0.00 C ATOM 671 C LEU A 43 2.235 6.087 4.214 1.00 0.00 C ATOM 672 O LEU A 43 1.595 7.139 4.241 1.00 0.00 O ATOM 673 CB LEU A 43 4.050 5.686 2.535 1.00 0.00 C ATOM 674 CG LEU A 43 5.519 5.739 2.103 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.672 5.200 0.694 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.043 7.166 2.172 1.00 0.00 C ATOM 0 H LEU A 43 4.877 4.363 4.433 1.00 0.00 H new ATOM 0 HA LEU A 43 4.149 7.064 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.682 4.674 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.479 6.346 1.882 1.00 0.00 H new ATOM 0 HG LEU A 43 6.101 5.119 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.721 5.243 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.328 4.166 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.077 5.802 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.088 7.185 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.456 7.802 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.961 7.535 3.195 1.00 0.00 H new ATOM 688 N THR A 44 1.688 4.913 4.400 1.00 0.00 N ATOM 689 CA THR A 44 0.278 4.742 4.617 1.00 0.00 C ATOM 690 C THR A 44 -0.094 4.999 6.048 1.00 0.00 C ATOM 691 O THR A 44 -1.221 5.423 6.326 1.00 0.00 O ATOM 692 CB THR A 44 -0.148 3.318 4.247 1.00 0.00 C ATOM 693 OG1 THR A 44 0.666 2.374 4.941 1.00 0.00 O ATOM 694 CG2 THR A 44 0.018 3.105 2.790 1.00 0.00 C ATOM 0 H THR A 44 2.217 4.041 4.405 1.00 0.00 H new ATOM 0 HA THR A 44 -0.236 5.464 3.983 1.00 0.00 H new ATOM 0 HB THR A 44 -1.193 3.183 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.379 2.059 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.287 2.090 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.601 3.818 2.245 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.064 3.250 2.518 1.00 0.00 H new ATOM 702 N GLU A 45 0.871 4.754 6.955 1.00 0.00 N ATOM 703 CA GLU A 45 0.647 4.775 8.404 1.00 0.00 C ATOM 704 C GLU A 45 -0.298 3.625 8.727 1.00 0.00 C ATOM 705 O GLU A 45 -0.954 3.603 9.775 1.00 0.00 O ATOM 706 CB GLU A 45 0.027 6.101 8.841 1.00 0.00 C ATOM 707 CG GLU A 45 0.872 7.326 8.591 1.00 0.00 C ATOM 708 CD GLU A 45 0.068 8.584 8.715 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.531 8.824 9.782 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.021 9.373 7.742 1.00 0.00 O ATOM 0 H GLU A 45 1.833 4.535 6.696 1.00 0.00 H new ATOM 0 HA GLU A 45 1.593 4.668 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.924 6.225 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.195 6.045 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.698 7.350 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.310 7.270 7.594 1.00 0.00 H new ATOM 717 N HIS A 46 -0.323 2.642 7.827 1.00 0.00 N ATOM 718 CA HIS A 46 -1.255 1.580 7.916 1.00 0.00 C ATOM 719 C HIS A 46 -0.711 0.463 8.810 1.00 0.00 C ATOM 720 O HIS A 46 0.367 -0.079 8.573 1.00 0.00 O ATOM 721 CB HIS A 46 -1.691 1.058 6.519 1.00 0.00 C ATOM 722 CG HIS A 46 -2.890 0.173 6.601 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.846 -1.103 7.084 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.198 0.475 6.463 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.096 -1.513 7.273 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.958 -0.599 6.896 1.00 0.00 N ATOM 0 H HIS A 46 0.310 2.583 7.029 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.160 1.970 8.382 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.909 1.904 5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.866 0.510 6.063 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.589 1.405 6.077 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.367 -2.474 7.684 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.976 -0.665 6.917 1.00 0.00 H new ATOM 734 N PRO A 47 -1.511 0.077 9.798 1.00 0.00 N ATOM 735 CA PRO A 47 -1.138 -0.870 10.845 1.00 0.00 C ATOM 736 C PRO A 47 -0.836 -2.237 10.351 1.00 0.00 C ATOM 737 O PRO A 47 0.117 -2.885 10.780 1.00 0.00 O ATOM 738 CB PRO A 47 -2.394 -0.936 11.699 1.00 0.00 C ATOM 739 CG PRO A 47 -3.490 -0.410 10.878 1.00 0.00 C ATOM 740 CD PRO A 47 -2.879 0.551 9.971 1.00 0.00 C ATOM 0 HA PRO A 47 -0.229 -0.543 11.350 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.599 -1.961 12.007 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.275 -0.347 12.609 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.984 -1.210 10.326 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.250 0.066 11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.408 0.589 9.019 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.900 1.558 10.388 1.00 0.00 H new ATOM 748 N ASP A 48 -1.637 -2.673 9.452 1.00 0.00 N ATOM 749 CA ASP A 48 -1.564 -3.992 8.994 1.00 0.00 C ATOM 750 C ASP A 48 -1.042 -3.970 7.607 1.00 0.00 C ATOM 751 O ASP A 48 -1.278 -4.881 6.842 1.00 0.00 O ATOM 752 CB ASP A 48 -2.937 -4.675 9.036 1.00 0.00 C ATOM 753 CG ASP A 48 -3.574 -4.636 10.397 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.043 -5.237 11.343 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.624 -4.002 10.547 1.00 0.00 O ATOM 0 H ASP A 48 -2.367 -2.111 9.014 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.900 -4.564 9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.599 -4.191 8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.829 -5.713 8.721 1.00 0.00 H new ATOM 760 N GLY A 49 -0.317 -2.886 7.282 1.00 0.00 N ATOM 761 CA GLY A 49 0.263 -2.710 5.924 1.00 0.00 C ATOM 762 C GLY A 49 1.054 -3.882 5.448 1.00 0.00 C ATOM 763 O GLY A 49 1.075 -4.168 4.257 1.00 0.00 O ATOM 0 H GLY A 49 -0.116 -2.122 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.544 -2.518 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.903 -1.828 5.925 1.00 0.00 H new ATOM 767 N SER A 50 1.662 -4.586 6.346 1.00 0.00 N ATOM 768 CA SER A 50 2.358 -5.771 5.945 1.00 0.00 C ATOM 769 C SER A 50 1.392 -6.950 5.822 1.00 0.00 C ATOM 770 O SER A 50 1.342 -7.612 4.777 1.00 0.00 O ATOM 771 CB SER A 50 3.577 -6.053 6.836 1.00 0.00 C ATOM 772 OG SER A 50 3.289 -5.798 8.194 1.00 0.00 O ATOM 0 H SER A 50 1.694 -4.371 7.343 1.00 0.00 H new ATOM 0 HA SER A 50 2.772 -5.609 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.885 -7.092 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.415 -5.433 6.517 1.00 0.00 H new ATOM 0 HG SER A 50 3.532 -4.874 8.412 1.00 0.00 H new ATOM 778 N ASP A 51 0.542 -7.134 6.833 1.00 0.00 N ATOM 779 CA ASP A 51 -0.421 -8.248 6.854 1.00 0.00 C ATOM 780 C ASP A 51 -1.369 -8.211 5.679 1.00 0.00 C ATOM 781 O ASP A 51 -1.800 -9.234 5.243 1.00 0.00 O ATOM 782 CB ASP A 51 -1.216 -8.355 8.172 1.00 0.00 C ATOM 783 CG ASP A 51 -0.395 -8.837 9.349 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.134 -10.057 9.466 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.013 -8.014 10.190 1.00 0.00 O ATOM 0 H ASP A 51 0.497 -6.527 7.652 1.00 0.00 H new ATOM 0 HA ASP A 51 0.195 -9.144 6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.636 -7.378 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.055 -9.035 8.024 1.00 0.00 H new ATOM 790 N LEU A 52 -1.657 -7.018 5.155 1.00 0.00 N ATOM 791 CA LEU A 52 -2.530 -6.850 3.968 1.00 0.00 C ATOM 792 C LEU A 52 -2.004 -7.650 2.794 1.00 0.00 C ATOM 793 O LEU A 52 -2.749 -8.318 2.081 1.00 0.00 O ATOM 794 CB LEU A 52 -2.594 -5.368 3.528 1.00 0.00 C ATOM 795 CG LEU A 52 -3.169 -4.373 4.523 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.133 -2.986 3.940 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.583 -4.743 4.889 1.00 0.00 C ATOM 0 H LEU A 52 -1.299 -6.140 5.531 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.521 -7.201 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.584 -5.047 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.185 -5.312 2.614 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.562 -4.397 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.547 -2.278 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.102 -2.713 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.724 -2.961 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.976 -4.018 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.203 -4.743 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.595 -5.736 5.338 1.00 0.00 H new ATOM 809 N ILE A 53 -0.711 -7.604 2.641 1.00 0.00 N ATOM 810 CA ILE A 53 -0.042 -8.204 1.501 1.00 0.00 C ATOM 811 C ILE A 53 0.181 -9.682 1.747 1.00 0.00 C ATOM 812 O ILE A 53 0.238 -10.502 0.817 1.00 0.00 O ATOM 813 CB ILE A 53 1.316 -7.505 1.297 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.097 -5.999 1.173 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.057 -8.058 0.075 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.363 -5.209 1.135 1.00 0.00 C ATOM 0 H ILE A 53 -0.081 -7.149 3.301 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.661 -8.085 0.612 1.00 0.00 H new ATOM 0 HB ILE A 53 1.945 -7.705 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.526 -5.797 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.492 -5.659 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.010 -7.541 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.236 -9.125 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.452 -7.902 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.128 -4.148 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.926 -5.380 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.961 -5.521 0.279 1.00 0.00 H new ATOM 828 N TYR A 54 0.282 -10.019 2.983 1.00 0.00 N ATOM 829 CA TYR A 54 0.606 -11.347 3.361 1.00 0.00 C ATOM 830 C TYR A 54 -0.618 -12.230 3.625 1.00 0.00 C ATOM 831 O TYR A 54 -0.567 -13.441 3.380 1.00 0.00 O ATOM 832 CB TYR A 54 1.574 -11.329 4.533 1.00 0.00 C ATOM 833 CG TYR A 54 2.930 -10.721 4.191 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.696 -11.227 3.153 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.437 -9.652 4.902 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.923 -10.683 2.838 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.658 -9.096 4.591 1.00 0.00 C ATOM 838 CZ TYR A 54 5.400 -9.614 3.561 1.00 0.00 C ATOM 839 OH TYR A 54 6.639 -9.068 3.264 1.00 0.00 O ATOM 0 H TYR A 54 0.142 -9.378 3.764 1.00 0.00 H new ATOM 0 HA TYR A 54 1.098 -11.815 2.509 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.129 -10.766 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.721 -12.349 4.889 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.325 -12.064 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.863 -9.243 5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.507 -11.094 2.028 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.030 -8.255 5.157 1.00 0.00 H new ATOM 0 HH TYR A 54 6.935 -9.387 2.386 1.00 0.00 H new ATOM 849 N TYR A 55 -1.700 -11.652 4.114 1.00 0.00 N ATOM 850 CA TYR A 55 -2.902 -12.404 4.437 1.00 0.00 C ATOM 851 C TYR A 55 -4.145 -11.574 4.104 1.00 0.00 C ATOM 852 O TYR A 55 -4.201 -10.386 4.431 1.00 0.00 O ATOM 853 CB TYR A 55 -2.956 -12.747 5.947 1.00 0.00 C ATOM 854 CG TYR A 55 -1.746 -13.470 6.496 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.605 -14.844 6.369 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.742 -12.765 7.147 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.494 -15.494 6.874 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.364 -13.403 7.650 1.00 0.00 C ATOM 859 CZ TYR A 55 0.487 -14.764 7.514 1.00 0.00 C ATOM 860 OH TYR A 55 1.602 -15.401 8.021 1.00 0.00 O ATOM 0 H TYR A 55 -1.772 -10.651 4.298 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.880 -13.322 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.089 -11.821 6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.838 -13.360 6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.374 -15.414 5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.833 -11.695 7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.395 -16.564 6.768 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.135 -12.837 8.151 1.00 0.00 H new ATOM 0 HH TYR A 55 2.194 -14.741 8.439 1.00 0.00 H new ATOM 870 N PRO A 56 -5.139 -12.160 3.417 1.00 0.00 N ATOM 871 CA PRO A 56 -6.424 -11.503 3.207 1.00 0.00 C ATOM 872 C PRO A 56 -7.093 -11.256 4.558 1.00 0.00 C ATOM 873 O PRO A 56 -6.952 -12.065 5.484 1.00 0.00 O ATOM 874 CB PRO A 56 -7.238 -12.521 2.397 1.00 0.00 C ATOM 875 CG PRO A 56 -6.510 -13.813 2.538 1.00 0.00 C ATOM 876 CD PRO A 56 -5.073 -13.469 2.769 1.00 0.00 C ATOM 0 HA PRO A 56 -6.336 -10.541 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.257 -12.601 2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.310 -12.223 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.908 -14.394 3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.624 -14.422 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.580 -14.207 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.514 -13.427 1.834 1.00 0.00 H new ATOM 884 N ARG A 57 -7.807 -10.166 4.687 1.00 0.00 N ATOM 885 CA ARG A 57 -8.380 -9.833 5.969 1.00 0.00 C ATOM 886 C ARG A 57 -9.733 -10.495 6.209 1.00 0.00 C ATOM 887 O ARG A 57 -9.828 -11.721 6.253 1.00 0.00 O ATOM 888 CB ARG A 57 -8.431 -8.326 6.190 1.00 0.00 C ATOM 889 CG ARG A 57 -7.072 -7.658 6.258 1.00 0.00 C ATOM 890 CD ARG A 57 -7.208 -6.189 6.602 1.00 0.00 C ATOM 891 NE ARG A 57 -7.676 -5.964 7.975 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.482 -4.956 8.356 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.118 -4.228 7.450 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.690 -4.731 9.646 1.00 0.00 N ATOM 0 H ARG A 57 -8.004 -9.504 3.936 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.709 -10.249 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.006 -7.872 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.968 -8.125 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.455 -8.155 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.561 -7.766 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.244 -5.699 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.903 -5.721 5.905 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.368 -6.620 8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.998 -4.430 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.728 -3.465 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.240 -5.321 10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.300 -3.968 9.939 1.00 0.00 H new ATOM 908 N ASP A 58 -10.768 -9.719 6.312 1.00 0.00 N ATOM 909 CA ASP A 58 -12.083 -10.280 6.603 1.00 0.00 C ATOM 910 C ASP A 58 -13.032 -10.071 5.462 1.00 0.00 C ATOM 911 O ASP A 58 -13.485 -11.018 4.843 1.00 0.00 O ATOM 912 CB ASP A 58 -12.671 -9.687 7.894 1.00 0.00 C ATOM 913 CG ASP A 58 -14.056 -10.225 8.225 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.163 -11.298 8.850 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.066 -9.580 7.872 1.00 0.00 O ATOM 0 H ASP A 58 -10.746 -8.705 6.203 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.948 -11.352 6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.997 -9.901 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.723 -8.603 7.797 1.00 0.00 H new ATOM 920 N ASP A 59 -13.293 -8.834 5.158 1.00 0.00 N ATOM 921 CA ASP A 59 -14.281 -8.498 4.141 1.00 0.00 C ATOM 922 C ASP A 59 -13.607 -8.152 2.836 1.00 0.00 C ATOM 923 O ASP A 59 -14.250 -8.050 1.796 1.00 0.00 O ATOM 924 CB ASP A 59 -15.143 -7.308 4.600 1.00 0.00 C ATOM 925 CG ASP A 59 -14.419 -5.967 4.564 1.00 0.00 C ATOM 926 OD1 ASP A 59 -13.477 -5.743 5.377 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.775 -5.114 3.725 1.00 0.00 O ATOM 0 H ASP A 59 -12.841 -8.030 5.593 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.919 -9.369 3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.028 -7.248 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.490 -7.495 5.616 1.00 0.00 H new ATOM 932 N ARG A 60 -12.319 -8.003 2.883 1.00 0.00 N ATOM 933 CA ARG A 60 -11.585 -7.568 1.771 1.00 0.00 C ATOM 934 C ARG A 60 -11.053 -8.719 0.956 1.00 0.00 C ATOM 935 O ARG A 60 -10.604 -9.731 1.490 1.00 0.00 O ATOM 936 CB ARG A 60 -10.456 -6.729 2.259 1.00 0.00 C ATOM 937 CG ARG A 60 -9.618 -6.127 1.192 1.00 0.00 C ATOM 938 CD ARG A 60 -10.391 -5.095 0.369 1.00 0.00 C ATOM 939 NE ARG A 60 -11.206 -4.166 1.183 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.432 -3.733 0.841 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.987 -4.127 -0.293 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.094 -2.914 1.626 1.00 0.00 N ATOM 0 H ARG A 60 -11.755 -8.187 3.713 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.245 -6.995 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.859 -5.928 2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.820 -7.339 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.745 -5.653 1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.250 -6.914 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.684 -4.517 -0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.044 -5.618 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.811 -3.832 2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.485 -4.762 -0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.917 -3.795 -0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.678 -2.601 2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.024 -2.591 1.358 1.00 0.00 H new ATOM 956 N GLU A 61 -11.102 -8.520 -0.319 1.00 0.00 N ATOM 957 CA GLU A 61 -10.599 -9.428 -1.311 1.00 0.00 C ATOM 958 C GLU A 61 -9.089 -9.284 -1.406 1.00 0.00 C ATOM 959 O GLU A 61 -8.558 -8.168 -1.304 1.00 0.00 O ATOM 960 CB GLU A 61 -11.197 -9.011 -2.635 1.00 0.00 C ATOM 961 CG GLU A 61 -10.849 -9.877 -3.826 1.00 0.00 C ATOM 962 CD GLU A 61 -11.455 -11.247 -3.738 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.676 -11.382 -3.938 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.727 -12.212 -3.465 1.00 0.00 O ATOM 0 H GLU A 61 -11.514 -7.679 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.853 -10.457 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.282 -8.992 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.879 -7.990 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.193 -9.389 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.765 -9.967 -3.901 1.00 0.00 H new ATOM 971 N ASP A 62 -8.417 -10.383 -1.600 1.00 0.00 N ATOM 972 CA ASP A 62 -6.991 -10.371 -1.809 1.00 0.00 C ATOM 973 C ASP A 62 -6.679 -10.090 -3.257 1.00 0.00 C ATOM 974 O ASP A 62 -6.694 -10.992 -4.094 1.00 0.00 O ATOM 975 CB ASP A 62 -6.354 -11.690 -1.380 1.00 0.00 C ATOM 976 CG ASP A 62 -4.870 -11.766 -1.716 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.109 -10.847 -1.359 1.00 0.00 O ATOM 978 OD2 ASP A 62 -4.436 -12.749 -2.359 1.00 0.00 O ATOM 0 H ASP A 62 -8.838 -11.312 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.569 -9.578 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.486 -11.819 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.875 -12.515 -1.866 1.00 0.00 H new ATOM 983 N SER A 63 -6.514 -8.847 -3.567 1.00 0.00 N ATOM 984 CA SER A 63 -6.119 -8.447 -4.876 1.00 0.00 C ATOM 985 C SER A 63 -5.283 -7.191 -4.737 1.00 0.00 C ATOM 986 O SER A 63 -5.388 -6.511 -3.699 1.00 0.00 O ATOM 987 CB SER A 63 -7.367 -8.193 -5.744 1.00 0.00 C ATOM 988 OG SER A 63 -8.235 -7.230 -5.150 1.00 0.00 O ATOM 0 H SER A 63 -6.650 -8.075 -2.914 1.00 0.00 H new ATOM 0 HA SER A 63 -5.534 -9.226 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.060 -7.846 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.906 -9.129 -5.889 1.00 0.00 H new ATOM 0 HG SER A 63 -8.477 -6.553 -5.816 1.00 0.00 H new ATOM 994 N PRO A 64 -4.423 -6.856 -5.734 1.00 0.00 N ATOM 995 CA PRO A 64 -3.652 -5.615 -5.713 1.00 0.00 C ATOM 996 C PRO A 64 -4.586 -4.396 -5.558 1.00 0.00 C ATOM 997 O PRO A 64 -4.222 -3.398 -4.961 1.00 0.00 O ATOM 998 CB PRO A 64 -2.914 -5.613 -7.079 1.00 0.00 C ATOM 999 CG PRO A 64 -2.860 -7.044 -7.471 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.101 -7.683 -6.915 1.00 0.00 C ATOM 0 HA PRO A 64 -2.958 -5.553 -4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.449 -5.018 -7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.915 -5.187 -6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.822 -7.149 -8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.965 -7.522 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.914 -7.677 -7.641 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.927 -8.723 -6.640 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.812 -4.522 -6.047 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.785 -3.458 -5.909 1.00 0.00 C ATOM 1010 C GLU A 65 -7.376 -3.460 -4.490 1.00 0.00 C ATOM 1011 O GLU A 65 -7.511 -2.410 -3.859 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.910 -3.595 -6.931 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.461 -3.712 -8.379 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.624 -3.629 -9.335 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.526 -4.502 -9.285 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.674 -2.685 -10.153 1.00 0.00 O ATOM 0 H GLU A 65 -6.151 -5.348 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.271 -2.514 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.502 -4.475 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.568 -2.731 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.749 -2.918 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.940 -4.658 -8.522 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.704 -4.651 -3.992 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.295 -4.790 -2.673 1.00 0.00 C ATOM 1025 C GLY A 66 -7.381 -4.327 -1.555 1.00 0.00 C ATOM 1026 O GLY A 66 -7.826 -3.665 -0.613 1.00 0.00 O ATOM 0 H GLY A 66 -7.568 -5.532 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.222 -4.218 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.558 -5.835 -2.509 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.111 -4.651 -1.665 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.119 -4.244 -0.673 1.00 0.00 C ATOM 1032 C ILE A 67 -5.026 -2.711 -0.598 1.00 0.00 C ATOM 1033 O ILE A 67 -4.950 -2.126 0.494 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.743 -4.898 -0.975 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.864 -6.426 -0.788 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.631 -4.311 -0.097 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.622 -7.210 -1.137 1.00 0.00 C ATOM 0 H ILE A 67 -5.731 -5.200 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.437 -4.598 0.308 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.465 -4.682 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.125 -6.631 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.689 -6.788 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.684 -4.794 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.549 -3.240 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.868 -4.481 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.804 -8.272 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.368 -7.042 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.796 -6.882 -0.506 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.095 -2.072 -1.753 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.107 -0.625 -1.828 1.00 0.00 C ATOM 1051 C VAL A 68 -6.371 -0.080 -1.207 1.00 0.00 C ATOM 1052 O VAL A 68 -6.324 0.865 -0.439 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.981 -0.125 -3.287 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.211 1.387 -3.392 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.617 -0.446 -3.780 1.00 0.00 C ATOM 0 H VAL A 68 -5.144 -2.539 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.242 -0.261 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.743 -0.621 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.114 1.698 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.211 1.629 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.472 1.910 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.511 -0.100 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.877 0.050 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.461 -1.524 -3.742 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.481 -0.722 -1.516 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.790 -0.319 -1.050 1.00 0.00 C ATOM 1067 C LYS A 69 -8.841 -0.228 0.470 1.00 0.00 C ATOM 1068 O LYS A 69 -9.395 0.723 1.003 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.828 -1.286 -1.553 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.227 -0.750 -1.429 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.939 -0.800 -2.763 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.287 0.137 -3.788 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.954 0.068 -5.101 1.00 0.00 N ATOM 0 H LYS A 69 -7.497 -1.552 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.000 0.675 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.624 -1.521 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.750 -2.219 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.781 -1.333 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.197 0.277 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.927 -1.821 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.984 -0.522 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.322 1.161 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.235 -0.125 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.483 0.716 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.899 -0.904 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.952 0.343 -4.998 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.236 -1.202 1.149 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.140 -1.190 2.613 1.00 0.00 C ATOM 1089 C GLU A 70 -7.480 0.088 3.081 1.00 0.00 C ATOM 1090 O GLU A 70 -8.063 0.859 3.821 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.334 -2.387 3.104 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.030 -3.706 2.978 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.259 -3.825 3.861 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.290 -3.205 3.558 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.236 -4.583 4.838 1.00 0.00 O ATOM 0 H GLU A 70 -7.803 -2.014 0.709 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.148 -1.248 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.399 -2.431 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.074 -2.228 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.322 -3.857 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.331 -4.503 3.231 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.288 0.316 2.580 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.495 1.492 2.895 1.00 0.00 C ATOM 1104 C ILE A 71 -6.226 2.777 2.539 1.00 0.00 C ATOM 1105 O ILE A 71 -6.233 3.741 3.301 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.161 1.407 2.137 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.319 0.353 2.805 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.430 2.749 2.106 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.175 -0.116 1.995 1.00 0.00 C ATOM 0 H ILE A 71 -5.829 -0.321 1.929 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.315 1.514 3.970 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.353 1.143 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.943 0.749 3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.952 -0.501 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.493 2.640 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.055 3.492 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.220 3.073 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.622 -0.874 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.541 -0.545 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.517 0.724 1.774 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.842 2.764 1.402 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.542 3.867 0.872 1.00 0.00 C ATOM 1123 C LYS A 72 -8.705 4.246 1.797 1.00 0.00 C ATOM 1124 O LYS A 72 -8.756 5.376 2.300 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.965 3.462 -0.560 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.680 4.461 -1.441 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.042 4.768 -0.947 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.850 5.363 -2.024 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.199 5.740 -1.555 1.00 0.00 N ATOM 0 H LYS A 72 -6.866 1.943 0.797 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.935 4.770 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.065 3.147 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.607 2.585 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.098 5.381 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.743 4.068 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.519 3.858 -0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.985 5.455 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.342 6.245 -2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.937 4.654 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.880 5.634 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.477 5.123 -0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.191 6.729 -1.234 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.579 3.295 2.058 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.757 3.530 2.873 1.00 0.00 C ATOM 1145 C GLU A 73 -10.379 3.847 4.315 1.00 0.00 C ATOM 1146 O GLU A 73 -10.878 4.806 4.899 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.685 2.315 2.822 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.292 2.035 1.450 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.163 3.160 0.968 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.096 3.564 1.694 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.965 3.644 -0.155 1.00 0.00 O ATOM 0 H GLU A 73 -9.494 2.339 1.713 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.281 4.395 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.128 1.435 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.493 2.461 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.492 1.865 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.880 1.118 1.496 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.454 3.079 4.851 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.023 3.207 6.234 1.00 0.00 C ATOM 1160 C TRP A 74 -8.411 4.586 6.511 1.00 0.00 C ATOM 1161 O TRP A 74 -8.734 5.222 7.528 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.026 2.098 6.548 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.556 2.014 7.958 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.138 1.324 8.974 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.379 2.610 8.500 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.387 1.447 10.111 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.307 2.231 9.846 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.381 3.427 7.973 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.274 2.630 10.669 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.357 3.828 8.788 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.308 3.425 10.128 1.00 0.00 C ATOM 0 H TRP A 74 -8.973 2.340 4.337 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.893 3.111 6.883 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.480 1.144 6.281 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.156 2.228 5.904 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.057 0.762 8.896 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.602 1.020 11.012 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.415 3.738 6.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.232 2.324 11.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.578 4.463 8.393 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.486 3.752 10.747 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.570 5.080 5.605 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.930 6.368 5.833 1.00 0.00 C ATOM 1184 C ARG A 75 -7.909 7.487 5.646 1.00 0.00 C ATOM 1185 O ARG A 75 -7.882 8.466 6.383 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.739 6.565 4.936 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.671 5.521 5.133 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.467 5.830 4.309 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.811 6.146 2.932 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.268 7.152 2.241 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.332 7.931 2.799 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.684 7.413 1.019 1.00 0.00 N ATOM 0 H ARG A 75 -7.322 4.620 4.729 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.577 6.376 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.068 6.548 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.313 7.551 5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.394 5.473 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.061 4.540 4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.933 6.671 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.788 4.977 4.326 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.508 5.565 2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.029 7.758 3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.922 8.697 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.421 6.847 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.269 8.181 0.492 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.815 7.309 4.710 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.815 8.307 4.409 1.00 0.00 C ATOM 1208 C ALA A 76 -10.824 8.433 5.553 1.00 0.00 C ATOM 1209 O ALA A 76 -11.317 9.518 5.836 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.510 7.979 3.095 1.00 0.00 C ATOM 0 H ALA A 76 -8.878 6.468 4.137 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.319 9.272 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.261 8.739 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.775 7.958 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.992 7.004 3.172 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.061 7.337 6.258 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.014 7.331 7.351 1.00 0.00 C ATOM 1218 C ALA A 77 -11.357 7.945 8.551 1.00 0.00 C ATOM 1219 O ALA A 77 -11.947 8.742 9.276 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.472 5.908 7.659 1.00 0.00 C ATOM 0 H ALA A 77 -10.604 6.440 6.090 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.897 7.907 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.187 5.926 8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.946 5.479 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.611 5.301 7.939 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.096 7.617 8.702 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.264 8.116 9.780 1.00 0.00 C ATOM 1228 C ASN A 78 -8.921 9.590 9.618 1.00 0.00 C ATOM 1229 O ASN A 78 -8.457 10.234 10.560 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.984 7.287 9.893 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.096 6.128 10.865 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.800 6.266 12.056 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.495 4.986 10.382 1.00 0.00 N ATOM 0 H ASN A 78 -9.607 6.984 8.069 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.843 8.019 10.699 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.723 6.900 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.167 7.936 10.207 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.570 4.172 10.993 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.732 4.905 9.393 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.139 10.120 8.436 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.854 11.514 8.191 1.00 0.00 C ATOM 1242 C GLY A 79 -7.381 11.743 8.002 1.00 0.00 C ATOM 1243 O GLY A 79 -6.833 12.772 8.420 1.00 0.00 O ATOM 0 H GLY A 79 -9.510 9.610 7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.393 11.848 7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.214 12.114 9.027 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.734 10.773 7.403 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.342 10.830 7.114 1.00 0.00 C ATOM 1249 C LYS A 80 -5.129 11.334 5.707 1.00 0.00 C ATOM 1250 O LYS A 80 -6.079 11.793 5.055 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.726 9.454 7.268 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.556 8.992 8.700 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.904 7.634 8.731 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.684 7.128 10.151 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.766 7.992 10.927 1.00 0.00 N ATOM 0 H LYS A 80 -7.181 9.907 7.101 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.862 11.515 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.348 8.732 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.750 9.451 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.948 9.709 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.526 8.950 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.526 6.923 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.946 7.682 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.644 7.070 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.280 6.116 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.503 7.513 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.910 8.180 10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.239 8.891 11.148 1.00 0.00 H new ATOM 1269 N SER A 81 -3.907 11.258 5.252 1.00 0.00 N ATOM 1270 CA SER A 81 -3.535 11.660 3.926 1.00 0.00 C ATOM 1271 C SER A 81 -4.258 10.793 2.872 1.00 0.00 C ATOM 1272 O SER A 81 -4.783 9.713 3.180 1.00 0.00 O ATOM 1273 CB SER A 81 -2.017 11.516 3.789 1.00 0.00 C ATOM 1274 OG SER A 81 -1.526 12.074 2.579 1.00 0.00 O ATOM 0 H SER A 81 -3.127 10.907 5.807 1.00 0.00 H new ATOM 0 HA SER A 81 -3.828 12.696 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.531 12.004 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.750 10.460 3.834 1.00 0.00 H new ATOM 0 HG SER A 81 -0.554 11.960 2.537 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.281 11.273 1.664 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.884 10.550 0.585 1.00 0.00 C ATOM 1282 C GLY A 82 -3.840 10.194 -0.438 1.00 0.00 C ATOM 1283 O GLY A 82 -2.698 9.875 -0.077 1.00 0.00 O ATOM 0 H GLY A 82 -3.883 12.174 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.359 9.645 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.667 11.153 0.124 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.220 10.173 -1.667 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.334 9.986 -2.751 1.00 0.00 C ATOM 1289 C PHE A 83 -3.379 11.254 -3.570 1.00 0.00 C ATOM 1290 O PHE A 83 -4.180 12.152 -3.268 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.792 8.793 -3.604 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.869 7.490 -2.856 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.718 6.841 -2.475 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.096 6.920 -2.526 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.776 5.655 -1.784 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.155 5.727 -1.831 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.989 5.092 -1.461 1.00 0.00 C ATOM 0 H PHE A 83 -5.193 10.290 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.323 9.779 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.773 9.016 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.106 8.677 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.757 7.269 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.011 7.415 -2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.861 5.160 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.112 5.294 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.027 4.158 -0.921 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.533 11.360 -4.565 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.575 12.480 -5.464 1.00 0.00 C ATOM 1309 C LYS A 84 -3.888 12.410 -6.182 1.00 0.00 C ATOM 1310 O LYS A 84 -4.244 11.361 -6.743 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.427 12.410 -6.461 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.362 13.576 -7.443 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.329 13.334 -8.536 1.00 0.00 C ATOM 1314 CE LYS A 84 1.082 13.184 -7.990 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.622 14.436 -7.407 1.00 0.00 N ATOM 0 H LYS A 84 -1.803 10.678 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.475 13.418 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.488 12.364 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.511 11.482 -7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.342 13.726 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.115 14.492 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.597 12.434 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.354 14.163 -9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.088 12.405 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.741 12.851 -8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.592 14.271 -7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.630 15.181 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.023 14.734 -6.611 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.601 13.483 -6.177 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.928 13.479 -6.717 1.00 0.00 C ATOM 1331 C GLN A 85 -5.967 13.676 -8.221 1.00 0.00 C ATOM 1332 O GLN A 85 -6.375 14.722 -8.745 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.970 14.325 -5.919 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.610 15.788 -5.625 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.501 15.972 -4.591 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.407 15.077 -3.638 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -4.748 16.932 -4.648 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.291 14.381 -5.805 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.281 12.459 -6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.909 14.313 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.154 13.825 -4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.305 16.268 -6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.504 16.306 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.845 17.612 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.022 17.053 -3.942 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.435 12.690 -8.877 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.440 12.570 -10.286 1.00 0.00 C ATOM 1348 C GLY A 86 -5.720 11.135 -10.611 1.00 0.00 C ATOM 1349 O GLY A 86 -6.892 10.779 -10.831 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.798 10.317 -10.498 1.00 0.00 O ATOM 0 H GLY A 86 -4.965 11.914 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.199 13.218 -10.724 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.480 12.878 -10.701 1.00 0.00 H new TER 1354 GLY A 86