USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 668 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 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.716 X(o=-0.72,f=-1.1) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -166:sc= 1.06 (180deg=-0.366) USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0.506 USER MOD Set 3.1: A 3 SER OG : rot 72:sc= 1.47 USER MOD Set 3.2: A 80 THR OG1 : rot 171:sc= 0.704 USER MOD Single : A 2 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= 1.28 (180deg=1.13) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 25 HIS : no HD1:sc= 0.81 K(o=0.81,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.12 (180deg=0.971) USER MOD Single : A 32 TYR OH : rot 30:sc= 0.107 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -150:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0394 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 1.12 (180deg=1.12) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.01) USER MOD Single : A 83 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.1) USER MOD Single : A 88 THR OG1 : rot 160:sc= 1.17 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 151:sc= -1.09 (180deg=-1.63) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.800 -10.030 -5.539 1.00 0.00 N ATOM 21 CA ASN A 2 81.916 -10.285 -6.433 1.00 0.00 C ATOM 22 C ASN A 2 82.565 -8.970 -6.816 1.00 0.00 C ATOM 23 O ASN A 2 82.044 -7.900 -6.492 1.00 0.00 O ATOM 24 CB ASN A 2 81.453 -11.023 -7.697 1.00 0.00 C ATOM 25 CG ASN A 2 81.084 -12.471 -7.434 1.00 0.00 C ATOM 26 OD1 ASN A 2 79.955 -12.777 -7.052 1.00 0.00 O ATOM 27 ND2 ASN A 2 82.028 -13.372 -7.656 1.00 0.00 N ATOM 0 HA ASN A 2 82.637 -10.917 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.592 -10.505 -8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.246 -10.985 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 2 81.832 -14.362 -7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 2 82.951 -13.076 -7.972 1.00 0.00 H new ATOM 34 N SER A 3 83.691 -9.051 -7.501 1.00 0.00 N ATOM 35 CA SER A 3 84.400 -7.868 -7.957 1.00 0.00 C ATOM 36 C SER A 3 83.535 -7.082 -8.940 1.00 0.00 C ATOM 37 O SER A 3 83.560 -5.851 -8.972 1.00 0.00 O ATOM 38 CB SER A 3 85.718 -8.283 -8.607 1.00 0.00 C ATOM 39 OG SER A 3 86.404 -9.212 -7.781 1.00 0.00 O ATOM 0 H SER A 3 84.138 -9.932 -7.756 1.00 0.00 H new ATOM 0 HA SER A 3 84.616 -7.223 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.526 -8.727 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.342 -7.405 -8.774 1.00 0.00 H new ATOM 0 HG SER A 3 85.940 -10.075 -7.804 1.00 0.00 H new ATOM 45 N GLU A 4 82.752 -7.813 -9.724 1.00 0.00 N ATOM 46 CA GLU A 4 81.814 -7.211 -10.660 1.00 0.00 C ATOM 47 C GLU A 4 80.691 -6.497 -9.920 1.00 0.00 C ATOM 48 O GLU A 4 80.219 -5.452 -10.359 1.00 0.00 O ATOM 49 CB GLU A 4 81.236 -8.277 -11.589 1.00 0.00 C ATOM 50 CG GLU A 4 82.161 -8.658 -12.734 1.00 0.00 C ATOM 51 CD GLU A 4 83.553 -9.041 -12.277 1.00 0.00 C ATOM 52 OE1 GLU A 4 83.691 -10.022 -11.521 1.00 0.00 O ATOM 53 OE2 GLU A 4 84.521 -8.359 -12.679 1.00 0.00 O ATOM 0 H GLU A 4 82.750 -8.833 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 4 82.354 -6.475 -11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.008 -9.169 -11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.294 -7.915 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 4 81.724 -9.492 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 4 82.232 -7.821 -13.429 1.00 0.00 H new ATOM 60 N VAL A 5 80.281 -7.056 -8.788 1.00 0.00 N ATOM 61 CA VAL A 5 79.239 -6.450 -7.967 1.00 0.00 C ATOM 62 C VAL A 5 79.716 -5.105 -7.420 1.00 0.00 C ATOM 63 O VAL A 5 78.937 -4.159 -7.290 1.00 0.00 O ATOM 64 CB VAL A 5 78.825 -7.382 -6.805 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.758 -6.732 -5.935 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.327 -8.712 -7.349 1.00 0.00 C ATOM 0 H VAL A 5 80.655 -7.929 -8.417 1.00 0.00 H new ATOM 0 HA VAL A 5 78.364 -6.291 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 5 79.703 -7.561 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.486 -7.410 -5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.146 -5.804 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.877 -6.517 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 5 78.039 -9.359 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.465 -8.542 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 5 79.120 -9.190 -7.924 1.00 0.00 H new ATOM 76 N ILE A 6 81.007 -5.025 -7.122 1.00 0.00 N ATOM 77 CA ILE A 6 81.617 -3.771 -6.696 1.00 0.00 C ATOM 78 C ILE A 6 81.534 -2.743 -7.821 1.00 0.00 C ATOM 79 O ILE A 6 81.176 -1.586 -7.598 1.00 0.00 O ATOM 80 CB ILE A 6 83.094 -3.969 -6.291 1.00 0.00 C ATOM 81 CG1 ILE A 6 83.200 -4.985 -5.150 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.722 -2.640 -5.885 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.624 -5.319 -4.759 1.00 0.00 C ATOM 0 H ILE A 6 81.652 -5.814 -7.167 1.00 0.00 H new ATOM 0 HA ILE A 6 81.068 -3.414 -5.825 1.00 0.00 H new ATOM 0 HB ILE A 6 83.640 -4.355 -7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.676 -4.594 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.689 -5.902 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.763 -2.800 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.676 -1.945 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.177 -2.224 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.617 -6.044 -3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 6 85.147 -5.741 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 6 85.134 -4.413 -4.433 1.00 0.00 H new ATOM 95 N LYS A 7 81.854 -3.188 -9.031 1.00 0.00 N ATOM 96 CA LYS A 7 81.773 -2.340 -10.214 1.00 0.00 C ATOM 97 C LYS A 7 80.345 -1.844 -10.416 1.00 0.00 C ATOM 98 O LYS A 7 80.123 -0.660 -10.657 1.00 0.00 O ATOM 99 CB LYS A 7 82.238 -3.107 -11.451 1.00 0.00 C ATOM 100 CG LYS A 7 83.666 -3.611 -11.356 1.00 0.00 C ATOM 101 CD LYS A 7 84.014 -4.508 -12.531 1.00 0.00 C ATOM 102 CE LYS A 7 85.409 -5.093 -12.385 1.00 0.00 C ATOM 103 NZ LYS A 7 85.719 -6.064 -13.466 1.00 0.00 N ATOM 0 H LYS A 7 82.174 -4.138 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 7 82.426 -1.480 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.573 -3.955 -11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.148 -2.460 -12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.352 -2.764 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.799 -4.161 -10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.285 -5.315 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.952 -3.938 -13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.144 -4.288 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.496 -5.587 -11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.723 -5.984 -13.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.524 -7.029 -13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.128 -5.859 -14.297 1.00 0.00 H new ATOM 117 N GLU A 8 79.388 -2.765 -10.306 1.00 0.00 N ATOM 118 CA GLU A 8 77.966 -2.431 -10.389 1.00 0.00 C ATOM 119 C GLU A 8 77.613 -1.286 -9.445 1.00 0.00 C ATOM 120 O GLU A 8 76.985 -0.306 -9.848 1.00 0.00 O ATOM 121 CB GLU A 8 77.117 -3.655 -10.043 1.00 0.00 C ATOM 122 CG GLU A 8 77.193 -4.761 -11.075 1.00 0.00 C ATOM 123 CD GLU A 8 76.466 -4.410 -12.353 1.00 0.00 C ATOM 124 OE1 GLU A 8 77.010 -3.647 -13.172 1.00 0.00 O ATOM 125 OE2 GLU A 8 75.336 -4.904 -12.549 1.00 0.00 O ATOM 0 H GLU A 8 79.574 -3.757 -10.158 1.00 0.00 H new ATOM 0 HA GLU A 8 77.756 -2.116 -11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.438 -4.048 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.078 -3.345 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 8 78.238 -4.971 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 8 76.767 -5.673 -10.657 1.00 0.00 H new ATOM 132 N PHE A 9 78.037 -1.414 -8.193 1.00 0.00 N ATOM 133 CA PHE A 9 77.766 -0.400 -7.180 1.00 0.00 C ATOM 134 C PHE A 9 78.414 0.931 -7.551 1.00 0.00 C ATOM 135 O PHE A 9 77.793 1.989 -7.441 1.00 0.00 O ATOM 136 CB PHE A 9 78.270 -0.874 -5.813 1.00 0.00 C ATOM 137 CG PHE A 9 78.108 0.141 -4.712 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.858 0.416 -4.181 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.209 0.812 -4.204 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.711 1.342 -3.166 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.067 1.739 -3.190 1.00 0.00 C ATOM 142 CZ PHE A 9 77.815 2.004 -2.670 1.00 0.00 C ATOM 0 H PHE A 9 78.572 -2.213 -7.854 1.00 0.00 H new ATOM 0 HA PHE A 9 76.688 -0.248 -7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.736 -1.783 -5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.324 -1.137 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.990 -0.099 -4.564 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.190 0.608 -4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.731 1.548 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.933 2.256 -2.804 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.701 2.728 -1.877 1.00 0.00 H new ATOM 152 N LEU A 10 79.655 0.868 -8.013 1.00 0.00 N ATOM 153 CA LEU A 10 80.408 2.072 -8.347 1.00 0.00 C ATOM 154 C LEU A 10 79.846 2.759 -9.586 1.00 0.00 C ATOM 155 O LEU A 10 79.832 3.985 -9.664 1.00 0.00 O ATOM 156 CB LEU A 10 81.887 1.737 -8.541 1.00 0.00 C ATOM 157 CG LEU A 10 82.592 1.218 -7.286 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.026 0.831 -7.600 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.551 2.265 -6.183 1.00 0.00 C ATOM 0 H LEU A 10 80.163 -0.003 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 10 80.311 2.768 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 10 81.976 0.988 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.406 2.630 -8.890 1.00 0.00 H new ATOM 0 HG LEU A 10 82.066 0.329 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.510 0.464 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.034 0.048 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.565 1.702 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.057 1.880 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.053 3.171 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.514 2.495 -5.938 1.00 0.00 H new ATOM 171 N GLU A 11 79.376 1.977 -10.550 1.00 0.00 N ATOM 172 CA GLU A 11 78.749 2.543 -11.741 1.00 0.00 C ATOM 173 C GLU A 11 77.399 3.159 -11.395 1.00 0.00 C ATOM 174 O GLU A 11 76.997 4.159 -11.989 1.00 0.00 O ATOM 175 CB GLU A 11 78.571 1.486 -12.830 1.00 0.00 C ATOM 176 CG GLU A 11 79.876 1.009 -13.448 1.00 0.00 C ATOM 177 CD GLU A 11 79.650 0.098 -14.635 1.00 0.00 C ATOM 178 OE1 GLU A 11 79.438 0.613 -15.753 1.00 0.00 O ATOM 179 OE2 GLU A 11 79.677 -1.136 -14.460 1.00 0.00 O ATOM 0 H GLU A 11 79.416 0.958 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 11 79.410 3.322 -12.122 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.046 0.629 -12.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 77.936 1.893 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.464 1.872 -13.762 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.461 0.482 -12.694 1.00 0.00 H new ATOM 186 N ASP A 12 76.709 2.563 -10.429 1.00 0.00 N ATOM 187 CA ASP A 12 75.420 3.079 -9.977 1.00 0.00 C ATOM 188 C ASP A 12 75.580 4.471 -9.380 1.00 0.00 C ATOM 189 O ASP A 12 74.915 5.420 -9.802 1.00 0.00 O ATOM 190 CB ASP A 12 74.795 2.137 -8.944 1.00 0.00 C ATOM 191 CG ASP A 12 73.493 2.673 -8.376 1.00 0.00 C ATOM 192 OD1 ASP A 12 72.473 2.665 -9.101 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.483 3.100 -7.204 1.00 0.00 O ATOM 0 H ASP A 12 77.020 1.722 -9.943 1.00 0.00 H new ATOM 0 HA ASP A 12 74.758 3.141 -10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 12 74.613 1.167 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.502 1.975 -8.131 1.00 0.00 H new ATOM 198 N ILE A 13 76.481 4.590 -8.415 1.00 0.00 N ATOM 199 CA ILE A 13 76.729 5.866 -7.756 1.00 0.00 C ATOM 200 C ILE A 13 77.477 6.828 -8.681 1.00 0.00 C ATOM 201 O ILE A 13 77.391 8.043 -8.524 1.00 0.00 O ATOM 202 CB ILE A 13 77.524 5.680 -6.443 1.00 0.00 C ATOM 203 CG1 ILE A 13 78.882 5.025 -6.717 1.00 0.00 C ATOM 204 CG2 ILE A 13 76.720 4.845 -5.457 1.00 0.00 C ATOM 205 CD1 ILE A 13 79.726 4.821 -5.477 1.00 0.00 C ATOM 0 H ILE A 13 77.053 3.819 -8.070 1.00 0.00 H new ATOM 0 HA ILE A 13 75.757 6.295 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 13 77.703 6.663 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 13 78.719 4.060 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.436 5.642 -7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.290 4.721 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.779 5.349 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.515 3.867 -5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.671 4.353 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 13 79.922 5.785 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.194 4.178 -4.776 1.00 0.00 H new ATOM 217 N GLY A 14 78.203 6.275 -9.646 1.00 0.00 N ATOM 218 CA GLY A 14 78.931 7.100 -10.591 1.00 0.00 C ATOM 219 C GLY A 14 80.310 7.458 -10.086 1.00 0.00 C ATOM 220 O GLY A 14 80.723 8.620 -10.140 1.00 0.00 O ATOM 0 H GLY A 14 78.300 5.270 -9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.019 6.572 -11.541 1.00 0.00 H new ATOM 0 HA3 GLY A 14 78.368 8.013 -10.784 1.00 0.00 H new ATOM 224 N GLU A 15 81.026 6.459 -9.596 1.00 0.00 N ATOM 225 CA GLU A 15 82.350 6.679 -9.045 1.00 0.00 C ATOM 226 C GLU A 15 83.429 6.053 -9.923 1.00 0.00 C ATOM 227 O GLU A 15 83.137 5.441 -10.953 1.00 0.00 O ATOM 228 CB GLU A 15 82.440 6.130 -7.623 1.00 0.00 C ATOM 229 CG GLU A 15 82.772 7.199 -6.597 1.00 0.00 C ATOM 230 CD GLU A 15 83.990 8.006 -6.994 1.00 0.00 C ATOM 231 OE1 GLU A 15 85.100 7.438 -7.030 1.00 0.00 O ATOM 232 OE2 GLU A 15 83.839 9.203 -7.311 1.00 0.00 O ATOM 0 H GLU A 15 80.711 5.489 -9.569 1.00 0.00 H new ATOM 0 HA GLU A 15 82.521 7.755 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 15 81.492 5.662 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 15 83.201 5.350 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 15 81.918 7.866 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 15 82.947 6.730 -5.629 1.00 0.00 H new ATOM 239 N ASP A 16 84.671 6.203 -9.491 1.00 0.00 N ATOM 240 CA ASP A 16 85.823 5.782 -10.269 1.00 0.00 C ATOM 241 C ASP A 16 86.667 4.775 -9.495 1.00 0.00 C ATOM 242 O ASP A 16 87.001 4.999 -8.326 1.00 0.00 O ATOM 243 CB ASP A 16 86.667 7.007 -10.627 1.00 0.00 C ATOM 244 CG ASP A 16 88.001 6.646 -11.247 1.00 0.00 C ATOM 245 OD1 ASP A 16 88.069 6.502 -12.482 1.00 0.00 O ATOM 246 OD2 ASP A 16 88.990 6.526 -10.502 1.00 0.00 O ATOM 0 H ASP A 16 84.908 6.620 -8.591 1.00 0.00 H new ATOM 0 HA ASP A 16 85.472 5.298 -11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 16 86.109 7.636 -11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 16 86.839 7.598 -9.728 1.00 0.00 H new ATOM 251 N TYR A 17 87.004 3.670 -10.146 1.00 0.00 N ATOM 252 CA TYR A 17 87.849 2.655 -9.539 1.00 0.00 C ATOM 253 C TYR A 17 89.082 2.405 -10.394 1.00 0.00 C ATOM 254 O TYR A 17 89.021 2.475 -11.623 1.00 0.00 O ATOM 255 CB TYR A 17 87.073 1.345 -9.324 1.00 0.00 C ATOM 256 CG TYR A 17 86.483 0.729 -10.578 1.00 0.00 C ATOM 257 CD1 TYR A 17 87.217 -0.163 -11.351 1.00 0.00 C ATOM 258 CD2 TYR A 17 85.186 1.025 -10.978 1.00 0.00 C ATOM 259 CE1 TYR A 17 86.679 -0.737 -12.486 1.00 0.00 C ATOM 260 CE2 TYR A 17 84.637 0.451 -12.111 1.00 0.00 C ATOM 261 CZ TYR A 17 85.390 -0.429 -12.862 1.00 0.00 C ATOM 262 OH TYR A 17 84.853 -1.004 -13.990 1.00 0.00 O ATOM 0 H TYR A 17 86.703 3.455 -11.097 1.00 0.00 H new ATOM 0 HA TYR A 17 88.169 3.024 -8.564 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.741 0.618 -8.861 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.265 1.532 -8.616 1.00 0.00 H new ATOM 0 HD1 TYR A 17 88.226 -0.412 -11.059 1.00 0.00 H new ATOM 0 HD2 TYR A 17 84.596 1.716 -10.394 1.00 0.00 H new ATOM 0 HE1 TYR A 17 87.266 -1.425 -13.076 1.00 0.00 H new ATOM 0 HE2 TYR A 17 83.626 0.690 -12.406 1.00 0.00 H new ATOM 0 HH TYR A 17 83.935 -0.683 -14.115 1.00 0.00 H new ATOM 272 N ILE A 18 90.203 2.136 -9.746 1.00 0.00 N ATOM 273 CA ILE A 18 91.434 1.817 -10.450 1.00 0.00 C ATOM 274 C ILE A 18 91.521 0.311 -10.673 1.00 0.00 C ATOM 275 O ILE A 18 91.870 -0.447 -9.764 1.00 0.00 O ATOM 276 CB ILE A 18 92.671 2.313 -9.670 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.586 3.829 -9.461 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.957 1.944 -10.399 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.698 4.393 -8.605 1.00 0.00 C ATOM 0 H ILE A 18 90.286 2.132 -8.729 1.00 0.00 H new ATOM 0 HA ILE A 18 91.421 2.327 -11.413 1.00 0.00 H new ATOM 0 HB ILE A 18 92.685 1.824 -8.696 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.604 4.321 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.628 4.069 -9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.814 2.304 -9.830 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.019 0.861 -10.502 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.959 2.403 -11.388 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.568 5.470 -8.504 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.669 3.930 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.660 4.186 -9.075 1.00 0.00 H new ATOM 291 N GLU A 19 91.174 -0.114 -11.878 1.00 0.00 N ATOM 292 CA GLU A 19 91.104 -1.526 -12.206 1.00 0.00 C ATOM 293 C GLU A 19 92.419 -2.018 -12.789 1.00 0.00 C ATOM 294 O GLU A 19 92.778 -1.688 -13.920 1.00 0.00 O ATOM 295 CB GLU A 19 89.967 -1.782 -13.197 1.00 0.00 C ATOM 296 CG GLU A 19 89.748 -3.255 -13.511 1.00 0.00 C ATOM 297 CD GLU A 19 88.702 -3.469 -14.585 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.060 -3.427 -15.783 1.00 0.00 O ATOM 299 OE2 GLU A 19 87.521 -3.683 -14.242 1.00 0.00 O ATOM 0 H GLU A 19 90.935 0.507 -12.651 1.00 0.00 H new ATOM 0 HA GLU A 19 90.910 -2.077 -11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.044 -1.365 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.179 -1.250 -14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 19 90.690 -3.699 -13.832 1.00 0.00 H new ATOM 0 HG3 GLU A 19 89.444 -3.776 -12.603 1.00 0.00 H new ATOM 306 N LEU A 20 93.141 -2.781 -11.994 1.00 0.00 N ATOM 307 CA LEU A 20 94.339 -3.455 -12.451 1.00 0.00 C ATOM 308 C LEU A 20 94.077 -4.953 -12.450 1.00 0.00 C ATOM 309 O LEU A 20 93.086 -5.407 -11.871 1.00 0.00 O ATOM 310 CB LEU A 20 95.527 -3.124 -11.539 1.00 0.00 C ATOM 311 CG LEU A 20 95.815 -1.632 -11.350 1.00 0.00 C ATOM 312 CD1 LEU A 20 96.976 -1.430 -10.389 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.109 -0.967 -12.687 1.00 0.00 C ATOM 0 H LEU A 20 92.914 -2.951 -11.014 1.00 0.00 H new ATOM 0 HA LEU A 20 94.587 -3.119 -13.458 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.347 -3.569 -10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.419 -3.600 -11.946 1.00 0.00 H new ATOM 0 HG LEU A 20 94.928 -1.165 -10.923 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.166 -0.364 -10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 20 96.728 -1.867 -9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 20 97.867 -1.914 -10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.311 0.093 -12.530 1.00 0.00 H new ATOM 0 HD22 LEU A 20 96.979 -1.438 -13.144 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.248 -1.078 -13.346 1.00 0.00 H new ATOM 325 N GLU A 21 94.946 -5.716 -13.094 1.00 0.00 N ATOM 326 CA GLU A 21 94.784 -7.162 -13.153 1.00 0.00 C ATOM 327 C GLU A 21 94.802 -7.766 -11.749 1.00 0.00 C ATOM 328 O GLU A 21 95.845 -7.823 -11.095 1.00 0.00 O ATOM 329 CB GLU A 21 95.863 -7.787 -14.038 1.00 0.00 C ATOM 330 CG GLU A 21 95.727 -7.403 -15.505 1.00 0.00 C ATOM 331 CD GLU A 21 96.819 -7.989 -16.377 1.00 0.00 C ATOM 332 OE1 GLU A 21 96.802 -9.214 -16.621 1.00 0.00 O ATOM 333 OE2 GLU A 21 97.689 -7.224 -16.840 1.00 0.00 O ATOM 0 H GLU A 21 95.768 -5.361 -13.582 1.00 0.00 H new ATOM 0 HA GLU A 21 93.814 -7.383 -13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 21 96.844 -7.479 -13.677 1.00 0.00 H new ATOM 0 HB3 GLU A 21 95.816 -8.872 -13.947 1.00 0.00 H new ATOM 0 HG2 GLU A 21 94.757 -7.738 -15.874 1.00 0.00 H new ATOM 0 HG3 GLU A 21 95.744 -6.317 -15.593 1.00 0.00 H new ATOM 340 N ASN A 22 93.613 -8.166 -11.295 1.00 0.00 N ATOM 341 CA ASN A 22 93.403 -8.758 -9.967 1.00 0.00 C ATOM 342 C ASN A 22 93.608 -7.743 -8.844 1.00 0.00 C ATOM 343 O ASN A 22 93.704 -8.120 -7.676 1.00 0.00 O ATOM 344 CB ASN A 22 94.301 -9.981 -9.728 1.00 0.00 C ATOM 345 CG ASN A 22 93.836 -11.218 -10.478 1.00 0.00 C ATOM 346 OD1 ASN A 22 93.346 -11.135 -11.605 1.00 0.00 O ATOM 347 ND2 ASN A 22 93.963 -12.374 -9.839 1.00 0.00 N ATOM 0 H ASN A 22 92.757 -8.088 -11.844 1.00 0.00 H new ATOM 0 HA ASN A 22 92.363 -9.085 -9.951 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.320 -9.741 -10.032 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.330 -10.200 -8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 22 93.649 -13.238 -10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 22 94.375 -12.398 -8.906 1.00 0.00 H new ATOM 354 N GLU A 23 93.635 -6.458 -9.179 1.00 0.00 N ATOM 355 CA GLU A 23 93.787 -5.421 -8.167 1.00 0.00 C ATOM 356 C GLU A 23 92.868 -4.242 -8.447 1.00 0.00 C ATOM 357 O GLU A 23 93.042 -3.528 -9.428 1.00 0.00 O ATOM 358 CB GLU A 23 95.233 -4.923 -8.077 1.00 0.00 C ATOM 359 CG GLU A 23 96.154 -5.824 -7.270 1.00 0.00 C ATOM 360 CD GLU A 23 97.453 -5.134 -6.904 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.424 -4.226 -6.044 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.505 -5.481 -7.472 1.00 0.00 O ATOM 0 H GLU A 23 93.554 -6.112 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 23 93.513 -5.873 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.634 -4.822 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.236 -3.928 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.644 -6.141 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.372 -6.725 -7.843 1.00 0.00 H new ATOM 369 N ILE A 24 91.902 -4.033 -7.574 1.00 0.00 N ATOM 370 CA ILE A 24 91.031 -2.876 -7.678 1.00 0.00 C ATOM 371 C ILE A 24 91.418 -1.863 -6.613 1.00 0.00 C ATOM 372 O ILE A 24 91.153 -2.059 -5.433 1.00 0.00 O ATOM 373 CB ILE A 24 89.539 -3.250 -7.519 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.126 -4.274 -8.583 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.668 -2.002 -7.618 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.686 -4.728 -8.466 1.00 0.00 C ATOM 0 H ILE A 24 91.700 -4.648 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 24 91.157 -2.452 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 24 89.397 -3.698 -6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.282 -3.841 -9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.779 -5.144 -8.510 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.620 -2.280 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.945 -1.301 -6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.815 -1.532 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.468 -5.451 -9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.529 -5.192 -7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.024 -3.868 -8.570 1.00 0.00 H new ATOM 388 N HIS A 25 92.082 -0.801 -7.022 1.00 0.00 N ATOM 389 CA HIS A 25 92.514 0.220 -6.081 1.00 0.00 C ATOM 390 C HIS A 25 91.451 1.301 -5.969 1.00 0.00 C ATOM 391 O HIS A 25 91.139 1.983 -6.944 1.00 0.00 O ATOM 392 CB HIS A 25 93.866 0.814 -6.497 1.00 0.00 C ATOM 393 CG HIS A 25 95.021 -0.134 -6.332 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.106 0.132 -5.527 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.262 -1.349 -6.886 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.960 -0.873 -5.591 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.473 -1.786 -6.408 1.00 0.00 N ATOM 0 H HIS A 25 92.335 -0.620 -7.994 1.00 0.00 H new ATOM 0 HA HIS A 25 92.647 -0.239 -5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.810 1.126 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 25 94.056 1.710 -5.906 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.619 -1.876 -7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.900 -0.936 -5.063 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.922 -2.671 -6.646 1.00 0.00 H new ATOM 406 N LEU A 26 90.875 1.426 -4.784 1.00 0.00 N ATOM 407 CA LEU A 26 89.800 2.377 -4.553 1.00 0.00 C ATOM 408 C LEU A 26 90.296 3.576 -3.768 1.00 0.00 C ATOM 409 O LEU A 26 91.270 3.485 -3.021 1.00 0.00 O ATOM 410 CB LEU A 26 88.643 1.721 -3.794 1.00 0.00 C ATOM 411 CG LEU A 26 87.878 0.645 -4.565 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.745 0.091 -3.717 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.338 1.207 -5.869 1.00 0.00 C ATOM 0 H LEU A 26 91.136 0.878 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 26 89.445 2.710 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 26 89.036 1.278 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.940 2.499 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 26 88.566 -0.167 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.210 -0.674 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.153 -0.347 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.058 0.896 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.796 0.427 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.664 2.037 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.166 1.561 -6.483 1.00 0.00 H new ATOM 425 N LYS A 27 89.624 4.701 -3.951 1.00 0.00 N ATOM 426 CA LYS A 27 89.904 5.888 -3.167 1.00 0.00 C ATOM 427 C LYS A 27 89.286 5.733 -1.786 1.00 0.00 C ATOM 428 O LYS A 27 88.129 5.326 -1.672 1.00 0.00 O ATOM 429 CB LYS A 27 89.346 7.135 -3.855 1.00 0.00 C ATOM 430 CG LYS A 27 89.973 7.421 -5.210 1.00 0.00 C ATOM 431 CD LYS A 27 89.451 8.722 -5.797 1.00 0.00 C ATOM 432 CE LYS A 27 87.968 8.640 -6.126 1.00 0.00 C ATOM 433 NZ LYS A 27 87.697 7.740 -7.279 1.00 0.00 N ATOM 0 H LYS A 27 88.879 4.815 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 27 90.984 6.006 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 27 88.270 7.018 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 27 89.499 7.996 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.057 7.475 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 27 89.758 6.599 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 27 89.622 9.534 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.011 8.963 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 27 87.423 8.282 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 27 87.592 9.638 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.686 7.780 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 88.261 8.045 -8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.954 6.764 -7.026 1.00 0.00 H new ATOM 447 N PRO A 28 90.046 6.053 -0.728 1.00 0.00 N ATOM 448 CA PRO A 28 89.623 5.864 0.666 1.00 0.00 C ATOM 449 C PRO A 28 88.222 6.408 0.948 1.00 0.00 C ATOM 450 O PRO A 28 87.415 5.745 1.603 1.00 0.00 O ATOM 451 CB PRO A 28 90.677 6.634 1.479 1.00 0.00 C ATOM 452 CG PRO A 28 91.483 7.397 0.480 1.00 0.00 C ATOM 453 CD PRO A 28 91.394 6.625 -0.800 1.00 0.00 C ATOM 0 HA PRO A 28 89.562 4.806 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 28 90.204 7.306 2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 28 91.306 5.951 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 28 91.093 8.407 0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.519 7.493 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 28 91.517 7.268 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 28 92.161 5.853 -0.863 1.00 0.00 H new ATOM 461 N GLU A 29 87.938 7.605 0.437 1.00 0.00 N ATOM 462 CA GLU A 29 86.650 8.262 0.661 1.00 0.00 C ATOM 463 C GLU A 29 85.485 7.391 0.183 1.00 0.00 C ATOM 464 O GLU A 29 84.411 7.381 0.783 1.00 0.00 O ATOM 465 CB GLU A 29 86.610 9.606 -0.072 1.00 0.00 C ATOM 466 CG GLU A 29 87.727 10.567 0.317 1.00 0.00 C ATOM 467 CD GLU A 29 87.667 10.993 1.772 1.00 0.00 C ATOM 468 OE1 GLU A 29 86.579 11.384 2.238 1.00 0.00 O ATOM 469 OE2 GLU A 29 88.712 10.944 2.451 1.00 0.00 O ATOM 0 H GLU A 29 88.586 8.143 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 29 86.544 8.421 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.662 9.423 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.650 10.085 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 29 88.689 10.093 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 29 87.674 11.452 -0.317 1.00 0.00 H new ATOM 476 N VAL A 30 85.715 6.650 -0.893 1.00 0.00 N ATOM 477 CA VAL A 30 84.675 5.829 -1.498 1.00 0.00 C ATOM 478 C VAL A 30 84.738 4.399 -0.967 1.00 0.00 C ATOM 479 O VAL A 30 83.714 3.723 -0.829 1.00 0.00 O ATOM 480 CB VAL A 30 84.815 5.817 -3.035 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.688 5.026 -3.682 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.848 7.238 -3.572 1.00 0.00 C ATOM 0 H VAL A 30 86.617 6.601 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 30 83.711 6.263 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 30 85.755 5.326 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.812 5.035 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.712 3.997 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.731 5.478 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.947 7.215 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.924 7.750 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.696 7.770 -3.142 1.00 0.00 H new ATOM 492 N PHE A 31 85.950 3.954 -0.655 1.00 0.00 N ATOM 493 CA PHE A 31 86.179 2.610 -0.134 1.00 0.00 C ATOM 494 C PHE A 31 85.364 2.363 1.131 1.00 0.00 C ATOM 495 O PHE A 31 84.876 1.259 1.356 1.00 0.00 O ATOM 496 CB PHE A 31 87.671 2.403 0.147 1.00 0.00 C ATOM 497 CG PHE A 31 87.996 1.079 0.783 1.00 0.00 C ATOM 498 CD1 PHE A 31 87.925 -0.095 0.051 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.375 1.013 2.114 1.00 0.00 C ATOM 500 CE1 PHE A 31 88.228 -1.309 0.636 1.00 0.00 C ATOM 501 CE2 PHE A 31 88.677 -0.198 2.703 1.00 0.00 C ATOM 502 CZ PHE A 31 88.603 -1.361 1.963 1.00 0.00 C ATOM 0 H PHE A 31 86.798 4.511 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 31 85.854 1.893 -0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.222 2.490 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.022 3.203 0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 31 87.630 -0.061 -0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.435 1.920 2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 31 88.171 -2.218 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 31 88.971 -0.236 3.742 1.00 0.00 H new ATOM 0 HZ PHE A 31 88.838 -2.310 2.422 1.00 0.00 H new ATOM 512 N TYR A 32 85.205 3.404 1.940 1.00 0.00 N ATOM 513 CA TYR A 32 84.477 3.299 3.198 1.00 0.00 C ATOM 514 C TYR A 32 83.034 2.836 2.971 1.00 0.00 C ATOM 515 O TYR A 32 82.469 2.112 3.791 1.00 0.00 O ATOM 516 CB TYR A 32 84.502 4.644 3.924 1.00 0.00 C ATOM 517 CG TYR A 32 83.939 4.599 5.325 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.636 3.976 6.353 1.00 0.00 C ATOM 519 CD2 TYR A 32 82.716 5.185 5.623 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.131 3.938 7.638 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.204 5.151 6.906 1.00 0.00 C ATOM 522 CZ TYR A 32 82.915 4.527 7.910 1.00 0.00 C ATOM 523 OH TYR A 32 82.409 4.498 9.190 1.00 0.00 O ATOM 0 H TYR A 32 85.573 4.335 1.745 1.00 0.00 H new ATOM 0 HA TYR A 32 84.969 2.549 3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.531 5.002 3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 32 83.937 5.371 3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.589 3.513 6.144 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.156 5.675 4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.686 3.449 8.425 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.251 5.611 7.122 1.00 0.00 H new ATOM 0 HH TYR A 32 83.148 4.484 9.834 1.00 0.00 H new ATOM 533 N GLU A 33 82.448 3.244 1.851 1.00 0.00 N ATOM 534 CA GLU A 33 81.085 2.851 1.523 1.00 0.00 C ATOM 535 C GLU A 33 81.052 1.422 0.991 1.00 0.00 C ATOM 536 O GLU A 33 80.205 0.620 1.388 1.00 0.00 O ATOM 537 CB GLU A 33 80.478 3.809 0.497 1.00 0.00 C ATOM 538 CG GLU A 33 80.265 5.215 1.028 1.00 0.00 C ATOM 539 CD GLU A 33 79.663 6.141 -0.006 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.453 6.012 -0.294 1.00 0.00 O ATOM 541 OE2 GLU A 33 80.395 6.999 -0.542 1.00 0.00 O ATOM 0 H GLU A 33 82.894 3.845 1.158 1.00 0.00 H new ATOM 0 HA GLU A 33 80.490 2.898 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.130 3.854 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.522 3.408 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 33 79.612 5.175 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 33 81.219 5.622 1.363 1.00 0.00 H new ATOM 548 N VAL A 34 81.990 1.105 0.103 1.00 0.00 N ATOM 549 CA VAL A 34 82.067 -0.229 -0.484 1.00 0.00 C ATOM 550 C VAL A 34 82.364 -1.274 0.586 1.00 0.00 C ATOM 551 O VAL A 34 81.847 -2.390 0.539 1.00 0.00 O ATOM 552 CB VAL A 34 83.150 -0.309 -1.585 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.155 -1.685 -2.242 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.939 0.780 -2.624 1.00 0.00 C ATOM 0 H VAL A 34 82.706 1.753 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 34 81.096 -0.433 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 34 84.122 -0.153 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.925 -1.717 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.362 -2.446 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.181 -1.876 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.711 0.707 -3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.958 0.659 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.996 1.757 -2.144 1.00 0.00 H new ATOM 564 N TRP A 35 83.192 -0.893 1.554 1.00 0.00 N ATOM 565 CA TRP A 35 83.560 -1.774 2.654 1.00 0.00 C ATOM 566 C TRP A 35 82.319 -2.293 3.376 1.00 0.00 C ATOM 567 O TRP A 35 82.206 -3.486 3.651 1.00 0.00 O ATOM 568 CB TRP A 35 84.478 -1.028 3.631 1.00 0.00 C ATOM 569 CG TRP A 35 84.938 -1.857 4.793 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.546 -3.077 4.740 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.847 -1.511 6.180 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.819 -3.523 6.010 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.405 -2.578 6.912 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.345 -0.406 6.876 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.471 -2.573 8.303 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.413 -0.401 8.256 1.00 0.00 C ATOM 577 CH2 TRP A 35 84.974 -1.477 8.957 1.00 0.00 C ATOM 0 H TRP A 35 83.624 0.030 1.597 1.00 0.00 H new ATOM 0 HA TRP A 35 84.094 -2.633 2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.351 -0.666 3.088 1.00 0.00 H new ATOM 0 HB3 TRP A 35 83.952 -0.151 4.009 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.779 -3.614 3.832 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.259 -4.413 6.244 1.00 0.00 H new ATOM 0 HE3 TRP A 35 83.912 0.428 6.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.898 -3.403 8.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.027 0.446 8.804 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.015 -1.441 10.036 1.00 0.00 H new ATOM 588 N LYS A 36 81.378 -1.405 3.657 1.00 0.00 N ATOM 589 CA LYS A 36 80.161 -1.798 4.349 1.00 0.00 C ATOM 590 C LYS A 36 79.185 -2.482 3.397 1.00 0.00 C ATOM 591 O LYS A 36 78.460 -3.395 3.796 1.00 0.00 O ATOM 592 CB LYS A 36 79.499 -0.593 5.015 1.00 0.00 C ATOM 593 CG LYS A 36 80.365 0.056 6.081 1.00 0.00 C ATOM 594 CD LYS A 36 79.530 0.886 7.039 1.00 0.00 C ATOM 595 CE LYS A 36 80.376 1.452 8.165 1.00 0.00 C ATOM 596 NZ LYS A 36 79.536 1.959 9.278 1.00 0.00 N ATOM 0 H LYS A 36 81.433 -0.415 3.419 1.00 0.00 H new ATOM 0 HA LYS A 36 80.437 -2.512 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.258 0.148 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.557 -0.907 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.901 -0.714 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.116 0.689 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 36 79.053 1.701 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 36 78.732 0.271 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.049 0.680 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.999 2.260 7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.147 2.338 10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 78.912 2.713 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 78.960 1.182 9.660 1.00 0.00 H new ATOM 610 N TYR A 37 79.191 -2.051 2.140 1.00 0.00 N ATOM 611 CA TYR A 37 78.330 -2.637 1.113 1.00 0.00 C ATOM 612 C TYR A 37 78.595 -4.135 0.970 1.00 0.00 C ATOM 613 O TYR A 37 77.672 -4.923 0.767 1.00 0.00 O ATOM 614 CB TYR A 37 78.557 -1.930 -0.231 1.00 0.00 C ATOM 615 CG TYR A 37 77.766 -2.514 -1.384 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.425 -2.201 -1.561 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.364 -3.375 -2.297 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.701 -2.730 -2.613 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.648 -3.907 -3.351 1.00 0.00 C ATOM 620 CZ TYR A 37 76.317 -3.582 -3.504 1.00 0.00 C ATOM 621 OH TYR A 37 75.598 -4.115 -4.552 1.00 0.00 O ATOM 0 H TYR A 37 79.786 -1.293 1.804 1.00 0.00 H new ATOM 0 HA TYR A 37 77.292 -2.501 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.296 -0.877 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.618 -1.972 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.939 -1.533 -0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.406 -3.632 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.658 -2.477 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.128 -4.574 -4.052 1.00 0.00 H new ATOM 0 HH TYR A 37 76.180 -4.694 -5.087 1.00 0.00 H new ATOM 631 N VAL A 38 79.858 -4.523 1.092 1.00 0.00 N ATOM 632 CA VAL A 38 80.238 -5.919 0.930 1.00 0.00 C ATOM 633 C VAL A 38 80.179 -6.681 2.257 1.00 0.00 C ATOM 634 O VAL A 38 80.600 -7.834 2.340 1.00 0.00 O ATOM 635 CB VAL A 38 81.640 -6.059 0.293 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.645 -5.465 -1.109 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.705 -5.399 1.155 1.00 0.00 C ATOM 0 H VAL A 38 80.633 -3.894 1.302 1.00 0.00 H new ATOM 0 HA VAL A 38 79.510 -6.364 0.251 1.00 0.00 H new ATOM 0 HB VAL A 38 81.876 -7.121 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.638 -5.571 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.919 -5.990 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.382 -4.409 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.680 -5.514 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.478 -4.339 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.722 -5.871 2.138 1.00 0.00 H new ATOM 647 N GLY A 39 79.651 -6.031 3.293 1.00 0.00 N ATOM 648 CA GLY A 39 79.408 -6.715 4.554 1.00 0.00 C ATOM 649 C GLY A 39 80.475 -6.467 5.606 1.00 0.00 C ATOM 650 O GLY A 39 80.541 -7.198 6.595 1.00 0.00 O ATOM 0 H GLY A 39 79.388 -5.046 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.443 -6.397 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.339 -7.787 4.367 1.00 0.00 H new ATOM 654 N GLU A 40 81.301 -5.443 5.394 1.00 0.00 N ATOM 655 CA GLU A 40 82.367 -5.075 6.336 1.00 0.00 C ATOM 656 C GLU A 40 83.283 -6.264 6.636 1.00 0.00 C ATOM 657 O GLU A 40 83.291 -6.783 7.753 1.00 0.00 O ATOM 658 CB GLU A 40 81.778 -4.538 7.645 1.00 0.00 C ATOM 659 CG GLU A 40 80.861 -3.342 7.469 1.00 0.00 C ATOM 660 CD GLU A 40 80.271 -2.879 8.783 1.00 0.00 C ATOM 661 OE1 GLU A 40 79.548 -3.669 9.425 1.00 0.00 O ATOM 662 OE2 GLU A 40 80.529 -1.727 9.189 1.00 0.00 O ATOM 0 H GLU A 40 81.254 -4.845 4.569 1.00 0.00 H new ATOM 0 HA GLU A 40 82.959 -4.292 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.224 -5.338 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 40 82.595 -4.261 8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 40 81.418 -2.523 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 40 80.056 -3.601 6.782 1.00 0.00 H new ATOM 669 N PRO A 41 84.058 -6.723 5.639 1.00 0.00 N ATOM 670 CA PRO A 41 84.961 -7.858 5.796 1.00 0.00 C ATOM 671 C PRO A 41 86.241 -7.471 6.527 1.00 0.00 C ATOM 672 O PRO A 41 86.571 -6.285 6.638 1.00 0.00 O ATOM 673 CB PRO A 41 85.286 -8.277 4.352 1.00 0.00 C ATOM 674 CG PRO A 41 84.468 -7.393 3.468 1.00 0.00 C ATOM 675 CD PRO A 41 84.124 -6.181 4.283 1.00 0.00 C ATOM 0 HA PRO A 41 84.509 -8.653 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.349 -8.160 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 41 85.042 -9.326 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 41 85.026 -7.114 2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 41 83.566 -7.905 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.882 -5.403 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.176 -5.740 3.975 1.00 0.00 H new ATOM 683 N GLU A 42 86.954 -8.474 7.026 1.00 0.00 N ATOM 684 CA GLU A 42 88.231 -8.246 7.686 1.00 0.00 C ATOM 685 C GLU A 42 89.263 -7.803 6.662 1.00 0.00 C ATOM 686 O GLU A 42 89.313 -8.330 5.549 1.00 0.00 O ATOM 687 CB GLU A 42 88.704 -9.509 8.408 1.00 0.00 C ATOM 688 CG GLU A 42 87.773 -9.954 9.525 1.00 0.00 C ATOM 689 CD GLU A 42 88.261 -11.206 10.223 1.00 0.00 C ATOM 690 OE1 GLU A 42 87.999 -12.312 9.711 1.00 0.00 O ATOM 691 OE2 GLU A 42 88.918 -11.091 11.282 1.00 0.00 O ATOM 0 H GLU A 42 86.668 -9.452 6.985 1.00 0.00 H new ATOM 0 HA GLU A 42 88.105 -7.460 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.801 -10.317 7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.696 -9.331 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 42 87.676 -9.150 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 42 86.779 -10.134 9.115 1.00 0.00 H new ATOM 698 N LEU A 43 90.078 -6.837 7.037 1.00 0.00 N ATOM 699 CA LEU A 43 91.008 -6.230 6.104 1.00 0.00 C ATOM 700 C LEU A 43 92.449 -6.592 6.447 1.00 0.00 C ATOM 701 O LEU A 43 92.855 -6.531 7.607 1.00 0.00 O ATOM 702 CB LEU A 43 90.830 -4.711 6.118 1.00 0.00 C ATOM 703 CG LEU A 43 89.447 -4.207 5.700 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.373 -2.694 5.832 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.137 -4.628 4.271 1.00 0.00 C ATOM 0 H LEU A 43 90.115 -6.455 7.982 1.00 0.00 H new ATOM 0 HA LEU A 43 90.795 -6.614 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.042 -4.347 7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.574 -4.269 5.456 1.00 0.00 H new ATOM 0 HG LEU A 43 88.703 -4.651 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.383 -2.350 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.556 -2.410 6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.126 -2.236 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.150 -4.261 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.885 -4.209 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.154 -5.716 4.200 1.00 0.00 H new ATOM 717 N LYS A 44 93.217 -6.969 5.433 1.00 0.00 N ATOM 718 CA LYS A 44 94.625 -7.283 5.620 1.00 0.00 C ATOM 719 C LYS A 44 95.485 -6.144 5.091 1.00 0.00 C ATOM 720 O LYS A 44 95.199 -5.575 4.038 1.00 0.00 O ATOM 721 CB LYS A 44 94.996 -8.593 4.915 1.00 0.00 C ATOM 722 CG LYS A 44 96.472 -8.942 5.037 1.00 0.00 C ATOM 723 CD LYS A 44 96.813 -10.231 4.310 1.00 0.00 C ATOM 724 CE LYS A 44 98.309 -10.501 4.330 1.00 0.00 C ATOM 725 NZ LYS A 44 99.073 -9.434 3.631 1.00 0.00 N ATOM 0 H LYS A 44 92.887 -7.064 4.473 1.00 0.00 H new ATOM 0 HA LYS A 44 94.809 -7.408 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.401 -9.405 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 44 94.733 -8.517 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 44 97.072 -8.127 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 44 96.736 -9.039 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 44 96.285 -11.063 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 44 96.466 -10.171 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 44 98.651 -10.576 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 44 98.511 -11.462 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 100.045 -9.760 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 98.613 -9.215 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 99.096 -8.579 4.223 1.00 0.00 H new ATOM 739 N THR A 45 96.534 -5.817 5.820 1.00 0.00 N ATOM 740 CA THR A 45 97.417 -4.733 5.435 1.00 0.00 C ATOM 741 C THR A 45 98.743 -5.265 4.903 1.00 0.00 C ATOM 742 O THR A 45 99.279 -6.248 5.415 1.00 0.00 O ATOM 743 CB THR A 45 97.678 -3.788 6.623 1.00 0.00 C ATOM 744 OG1 THR A 45 98.026 -4.544 7.791 1.00 0.00 O ATOM 745 CG2 THR A 45 96.455 -2.937 6.921 1.00 0.00 C ATOM 0 H THR A 45 96.796 -6.288 6.686 1.00 0.00 H new ATOM 0 HA THR A 45 96.920 -4.175 4.641 1.00 0.00 H new ATOM 0 HB THR A 45 98.505 -3.132 6.353 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.734 -4.061 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.666 -2.279 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 45 96.207 -2.337 6.045 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.613 -3.584 7.168 1.00 0.00 H new ATOM 753 N TYR A 46 99.258 -4.619 3.870 1.00 0.00 N ATOM 754 CA TYR A 46 100.557 -4.973 3.327 1.00 0.00 C ATOM 755 C TYR A 46 101.448 -3.741 3.310 1.00 0.00 C ATOM 756 O TYR A 46 100.958 -2.609 3.257 1.00 0.00 O ATOM 757 CB TYR A 46 100.441 -5.586 1.920 1.00 0.00 C ATOM 758 CG TYR A 46 100.159 -4.600 0.802 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.947 -3.927 0.719 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.111 -4.357 -0.181 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.694 -3.040 -0.310 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.864 -3.474 -1.214 1.00 0.00 C ATOM 763 CZ TYR A 46 99.654 -2.818 -1.274 1.00 0.00 C ATOM 764 OH TYR A 46 99.404 -1.940 -2.305 1.00 0.00 O ATOM 0 H TYR A 46 98.795 -3.846 3.391 1.00 0.00 H new ATOM 0 HA TYR A 46 101.003 -5.734 3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.369 -6.111 1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.647 -6.333 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.191 -4.100 1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.061 -4.868 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.747 -2.522 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.615 -3.299 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 46 100.185 -1.899 -2.896 1.00 0.00 H new ATOM 774 N VAL A 47 102.745 -3.957 3.369 1.00 0.00 N ATOM 775 CA VAL A 47 103.681 -2.858 3.469 1.00 0.00 C ATOM 776 C VAL A 47 104.509 -2.724 2.200 1.00 0.00 C ATOM 777 O VAL A 47 105.304 -3.603 1.865 1.00 0.00 O ATOM 778 CB VAL A 47 104.619 -3.033 4.679 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.604 -1.878 4.770 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.815 -3.151 5.966 1.00 0.00 C ATOM 0 H VAL A 47 103.174 -4.882 3.349 1.00 0.00 H new ATOM 0 HA VAL A 47 103.095 -1.949 3.606 1.00 0.00 H new ATOM 0 HB VAL A 47 105.185 -3.954 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.256 -2.023 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.206 -1.840 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.057 -0.942 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.494 -3.274 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.220 -2.249 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.154 -4.015 5.904 1.00 0.00 H new ATOM 790 N ILE A 48 104.305 -1.630 1.491 1.00 0.00 N ATOM 791 CA ILE A 48 105.118 -1.319 0.333 1.00 0.00 C ATOM 792 C ILE A 48 106.103 -0.211 0.690 1.00 0.00 C ATOM 793 O ILE A 48 105.727 0.947 0.870 1.00 0.00 O ATOM 794 CB ILE A 48 104.257 -0.930 -0.899 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.151 -0.468 -2.055 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.227 0.138 -0.542 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.392 -0.140 -3.322 1.00 0.00 C ATOM 0 H ILE A 48 103.582 -0.941 1.698 1.00 0.00 H new ATOM 0 HA ILE A 48 105.670 -2.215 0.051 1.00 0.00 H new ATOM 0 HB ILE A 48 103.710 -1.816 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.710 0.413 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 48 105.881 -1.248 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.641 0.388 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.565 -0.241 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.738 1.031 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 48 105.093 0.179 -4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.854 -1.025 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 48 103.681 0.662 -3.123 1.00 0.00 H new ATOM 809 N GLU A 49 107.360 -0.584 0.857 1.00 0.00 N ATOM 810 CA GLU A 49 108.386 0.371 1.235 1.00 0.00 C ATOM 811 C GLU A 49 108.948 1.068 0.005 1.00 0.00 C ATOM 812 O GLU A 49 109.535 0.429 -0.872 1.00 0.00 O ATOM 813 CB GLU A 49 109.501 -0.321 2.020 1.00 0.00 C ATOM 814 CG GLU A 49 110.649 0.601 2.394 1.00 0.00 C ATOM 815 CD GLU A 49 111.622 -0.047 3.352 1.00 0.00 C ATOM 816 OE1 GLU A 49 112.311 -1.006 2.955 1.00 0.00 O ATOM 817 OE2 GLU A 49 111.688 0.392 4.520 1.00 0.00 O ATOM 0 H GLU A 49 107.694 -1.540 0.737 1.00 0.00 H new ATOM 0 HA GLU A 49 107.933 1.126 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.080 -0.750 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 49 109.890 -1.149 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 49 111.179 0.901 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 49 110.249 1.509 2.846 1.00 0.00 H new ATOM 1177 N LYS A 72 108.206 3.069 4.697 1.00 0.00 N ATOM 1178 CA LYS A 72 107.257 1.980 4.532 1.00 0.00 C ATOM 1179 C LYS A 72 105.829 2.507 4.471 1.00 0.00 C ATOM 1180 O LYS A 72 105.325 3.080 5.441 1.00 0.00 O ATOM 1181 CB LYS A 72 107.394 0.970 5.676 1.00 0.00 C ATOM 1182 CG LYS A 72 108.663 0.134 5.610 1.00 0.00 C ATOM 1183 CD LYS A 72 108.720 -0.889 6.735 1.00 0.00 C ATOM 1184 CE LYS A 72 109.878 -1.862 6.554 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.195 -1.173 6.550 1.00 0.00 N ATOM 0 HA LYS A 72 107.481 1.479 3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.372 1.505 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.531 0.304 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 72 108.712 -0.378 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.533 0.788 5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 72 108.823 -0.374 7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 72 107.782 -1.443 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 72 109.859 -2.600 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 72 109.751 -2.405 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 111.953 -1.874 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.225 -0.486 5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.329 -0.676 7.454 1.00 0.00 H new ATOM 1199 N ILE A 73 105.191 2.326 3.324 1.00 0.00 N ATOM 1200 CA ILE A 73 103.808 2.729 3.143 1.00 0.00 C ATOM 1201 C ILE A 73 102.884 1.545 3.400 1.00 0.00 C ATOM 1202 O ILE A 73 102.862 0.580 2.636 1.00 0.00 O ATOM 1203 CB ILE A 73 103.558 3.280 1.721 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.537 4.417 1.413 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.119 3.762 1.584 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.442 4.935 -0.006 1.00 0.00 C ATOM 0 H ILE A 73 105.615 1.899 2.500 1.00 0.00 H new ATOM 0 HA ILE A 73 103.598 3.525 3.858 1.00 0.00 H new ATOM 0 HB ILE A 73 103.722 2.477 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.353 5.240 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.554 4.069 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.959 4.147 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.438 2.931 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.930 4.553 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 73 105.165 5.738 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.656 4.125 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.437 5.315 -0.188 1.00 0.00 H new ATOM 1218 N LYS A 74 102.143 1.616 4.491 1.00 0.00 N ATOM 1219 CA LYS A 74 101.241 0.543 4.878 1.00 0.00 C ATOM 1220 C LYS A 74 99.859 0.761 4.267 1.00 0.00 C ATOM 1221 O LYS A 74 99.178 1.740 4.578 1.00 0.00 O ATOM 1222 CB LYS A 74 101.149 0.466 6.407 1.00 0.00 C ATOM 1223 CG LYS A 74 100.316 -0.695 6.925 1.00 0.00 C ATOM 1224 CD LYS A 74 100.333 -0.749 8.445 1.00 0.00 C ATOM 1225 CE LYS A 74 99.479 -1.887 8.973 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.489 -1.955 10.458 1.00 0.00 N ATOM 0 H LYS A 74 102.148 2.411 5.130 1.00 0.00 H new ATOM 0 HA LYS A 74 101.633 -0.402 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.156 0.387 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.725 1.398 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.289 -0.595 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.701 -1.631 6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.358 -0.871 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.969 0.197 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.454 -1.762 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 74 99.842 -2.831 8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 98.893 -2.747 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 100.463 -2.101 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.118 -1.065 10.849 1.00 0.00 H new ATOM 1240 N LYS A 75 99.457 -0.143 3.387 1.00 0.00 N ATOM 1241 CA LYS A 75 98.149 -0.061 2.750 1.00 0.00 C ATOM 1242 C LYS A 75 97.311 -1.282 3.105 1.00 0.00 C ATOM 1243 O LYS A 75 97.831 -2.267 3.627 1.00 0.00 O ATOM 1244 CB LYS A 75 98.283 0.077 1.232 1.00 0.00 C ATOM 1245 CG LYS A 75 98.921 1.388 0.797 1.00 0.00 C ATOM 1246 CD LYS A 75 99.027 1.479 -0.717 1.00 0.00 C ATOM 1247 CE LYS A 75 99.685 2.779 -1.158 1.00 0.00 C ATOM 1248 NZ LYS A 75 98.850 3.972 -0.851 1.00 0.00 N ATOM 0 H LYS A 75 100.018 -0.944 3.096 1.00 0.00 H new ATOM 0 HA LYS A 75 97.644 0.830 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.879 -0.752 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.295 -0.005 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.331 2.224 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 75 99.914 1.475 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.603 0.634 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.032 1.407 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.652 2.879 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 75 99.877 2.740 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 99.246 4.806 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 97.878 3.810 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 98.842 4.135 0.176 1.00 0.00 H new ATOM 1262 N VAL A 76 96.022 -1.220 2.818 1.00 0.00 N ATOM 1263 CA VAL A 76 95.102 -2.271 3.222 1.00 0.00 C ATOM 1264 C VAL A 76 94.318 -2.792 2.018 1.00 0.00 C ATOM 1265 O VAL A 76 94.086 -2.058 1.056 1.00 0.00 O ATOM 1266 CB VAL A 76 94.131 -1.751 4.309 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.203 -0.677 3.758 1.00 0.00 C ATOM 1268 CG2 VAL A 76 93.335 -2.890 4.912 1.00 0.00 C ATOM 0 H VAL A 76 95.588 -0.452 2.306 1.00 0.00 H new ATOM 0 HA VAL A 76 95.684 -3.094 3.638 1.00 0.00 H new ATOM 0 HB VAL A 76 94.732 -1.298 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.534 -0.334 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.794 0.163 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.615 -1.090 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.660 -2.499 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.755 -3.382 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 76 94.016 -3.610 5.366 1.00 0.00 H new ATOM 1278 N TYR A 77 93.935 -4.061 2.059 1.00 0.00 N ATOM 1279 CA TYR A 77 93.170 -4.665 0.979 1.00 0.00 C ATOM 1280 C TYR A 77 92.357 -5.849 1.489 1.00 0.00 C ATOM 1281 O TYR A 77 92.599 -6.355 2.588 1.00 0.00 O ATOM 1282 CB TYR A 77 94.105 -5.129 -0.147 1.00 0.00 C ATOM 1283 CG TYR A 77 95.013 -6.277 0.240 1.00 0.00 C ATOM 1284 CD1 TYR A 77 96.212 -6.045 0.898 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.668 -7.591 -0.050 1.00 0.00 C ATOM 1286 CE1 TYR A 77 97.040 -7.087 1.257 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.493 -8.638 0.305 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.677 -8.380 0.958 1.00 0.00 C ATOM 1289 OH TYR A 77 97.500 -9.419 1.322 1.00 0.00 O ATOM 0 H TYR A 77 94.143 -4.693 2.832 1.00 0.00 H new ATOM 0 HA TYR A 77 92.487 -3.911 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.503 -5.429 -1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.718 -4.286 -0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.502 -5.031 1.133 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.739 -7.796 -0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.969 -6.889 1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 77 95.212 -9.654 0.072 1.00 0.00 H new ATOM 0 HH TYR A 77 97.100 -10.268 1.039 1.00 0.00 H new ATOM 1299 N PHE A 78 91.394 -6.279 0.690 1.00 0.00 N ATOM 1300 CA PHE A 78 90.675 -7.515 0.956 1.00 0.00 C ATOM 1301 C PHE A 78 90.558 -8.316 -0.333 1.00 0.00 C ATOM 1302 O PHE A 78 90.568 -7.746 -1.429 1.00 0.00 O ATOM 1303 CB PHE A 78 89.291 -7.250 1.571 1.00 0.00 C ATOM 1304 CG PHE A 78 88.312 -6.545 0.667 1.00 0.00 C ATOM 1305 CD1 PHE A 78 88.283 -5.161 0.596 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.408 -7.269 -0.096 1.00 0.00 C ATOM 1307 CE1 PHE A 78 87.374 -4.515 -0.219 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.499 -6.627 -0.915 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.482 -5.248 -0.977 1.00 0.00 C ATOM 0 H PHE A 78 91.091 -5.788 -0.151 1.00 0.00 H new ATOM 0 HA PHE A 78 91.237 -8.093 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.858 -8.203 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.421 -6.655 2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.979 -4.581 1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.415 -8.348 -0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 78 87.361 -3.436 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.803 -7.203 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.773 -4.744 -1.617 1.00 0.00 H new ATOM 1319 N GLU A 79 90.460 -9.630 -0.204 1.00 0.00 N ATOM 1320 CA GLU A 79 90.435 -10.508 -1.363 1.00 0.00 C ATOM 1321 C GLU A 79 89.009 -10.968 -1.643 1.00 0.00 C ATOM 1322 O GLU A 79 88.325 -11.471 -0.751 1.00 0.00 O ATOM 1323 CB GLU A 79 91.343 -11.718 -1.118 1.00 0.00 C ATOM 1324 CG GLU A 79 92.735 -11.337 -0.632 1.00 0.00 C ATOM 1325 CD GLU A 79 93.632 -12.534 -0.401 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.386 -13.286 0.563 1.00 0.00 O ATOM 1327 OE2 GLU A 79 94.597 -12.722 -1.173 1.00 0.00 O ATOM 0 H GLU A 79 90.396 -10.112 0.693 1.00 0.00 H new ATOM 0 HA GLU A 79 90.801 -9.960 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.875 -12.372 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 79 91.432 -12.290 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 79 93.201 -10.677 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.647 -10.772 0.296 1.00 0.00 H new ATOM 1334 N THR A 80 88.560 -10.777 -2.877 1.00 0.00 N ATOM 1335 CA THR A 80 87.218 -11.172 -3.268 1.00 0.00 C ATOM 1336 C THR A 80 87.179 -12.647 -3.649 1.00 0.00 C ATOM 1337 O THR A 80 88.215 -13.311 -3.713 1.00 0.00 O ATOM 1338 CB THR A 80 86.700 -10.334 -4.459 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.541 -10.522 -5.606 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.650 -8.857 -4.098 1.00 0.00 C ATOM 0 H THR A 80 89.109 -10.350 -3.623 1.00 0.00 H new ATOM 0 HA THR A 80 86.573 -10.996 -2.407 1.00 0.00 H new ATOM 0 HB THR A 80 85.691 -10.672 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 80 87.124 -10.106 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 80 86.283 -8.286 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.981 -8.712 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.650 -8.513 -3.835 1.00 0.00 H new ATOM 1348 N LEU A 81 85.980 -13.150 -3.924 1.00 0.00 N ATOM 1349 CA LEU A 81 85.805 -14.544 -4.310 1.00 0.00 C ATOM 1350 C LEU A 81 86.350 -14.785 -5.716 1.00 0.00 C ATOM 1351 O LEU A 81 86.522 -15.927 -6.145 1.00 0.00 O ATOM 1352 CB LEU A 81 84.323 -14.949 -4.246 1.00 0.00 C ATOM 1353 CG LEU A 81 83.709 -15.040 -2.841 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.510 -13.660 -2.230 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.390 -15.790 -2.892 1.00 0.00 C ATOM 0 H LEU A 81 85.115 -12.612 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 81 86.364 -15.159 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.745 -14.230 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.210 -15.917 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 81 84.405 -15.588 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.074 -13.762 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.472 -13.154 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.841 -13.075 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 81 81.965 -15.848 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.698 -15.264 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.559 -16.797 -3.273 1.00 0.00 H new ATOM 1367 N ASP A 82 86.640 -13.698 -6.421 1.00 0.00 N ATOM 1368 CA ASP A 82 87.151 -13.774 -7.784 1.00 0.00 C ATOM 1369 C ASP A 82 88.674 -13.777 -7.783 1.00 0.00 C ATOM 1370 O ASP A 82 89.299 -13.739 -8.844 1.00 0.00 O ATOM 1371 CB ASP A 82 86.657 -12.586 -8.613 1.00 0.00 C ATOM 1372 CG ASP A 82 85.166 -12.355 -8.492 1.00 0.00 C ATOM 1373 OD1 ASP A 82 84.389 -13.075 -9.151 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.769 -11.440 -7.742 1.00 0.00 O ATOM 0 H ASP A 82 86.529 -12.747 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 82 86.785 -14.701 -8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.185 -11.686 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 82 86.909 -12.752 -9.660 1.00 0.00 H new ATOM 1379 N ASN A 83 89.257 -13.812 -6.580 1.00 0.00 N ATOM 1380 CA ASN A 83 90.712 -13.779 -6.397 1.00 0.00 C ATOM 1381 C ASN A 83 91.248 -12.389 -6.741 1.00 0.00 C ATOM 1382 O ASN A 83 92.430 -12.204 -7.027 1.00 0.00 O ATOM 1383 CB ASN A 83 91.395 -14.860 -7.251 1.00 0.00 C ATOM 1384 CG ASN A 83 92.849 -15.094 -6.881 1.00 0.00 C ATOM 1385 OD1 ASN A 83 93.245 -14.955 -5.722 1.00 0.00 O ATOM 1386 ND2 ASN A 83 93.654 -15.454 -7.869 1.00 0.00 N ATOM 0 H ASN A 83 88.734 -13.864 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 83 90.940 -13.991 -5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 83 90.846 -15.796 -7.146 1.00 0.00 H new ATOM 0 HB3 ASN A 83 91.337 -14.573 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 83 94.642 -15.627 -7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 83 93.286 -15.558 -8.815 1.00 0.00 H new ATOM 1393 N VAL A 84 90.359 -11.405 -6.696 1.00 0.00 N ATOM 1394 CA VAL A 84 90.728 -10.025 -6.964 1.00 0.00 C ATOM 1395 C VAL A 84 90.902 -9.277 -5.649 1.00 0.00 C ATOM 1396 O VAL A 84 90.103 -9.433 -4.727 1.00 0.00 O ATOM 1397 CB VAL A 84 89.667 -9.314 -7.835 1.00 0.00 C ATOM 1398 CG1 VAL A 84 90.040 -7.861 -8.080 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.483 -10.045 -9.157 1.00 0.00 C ATOM 0 H VAL A 84 89.373 -11.540 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 84 91.668 -10.027 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 84 88.722 -9.332 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.275 -7.388 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 84 90.113 -7.338 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 84 91.000 -7.814 -8.594 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.732 -9.530 -9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.429 -10.063 -9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.155 -11.067 -8.965 1.00 0.00 H new ATOM 1409 N ARG A 85 91.951 -8.481 -5.554 1.00 0.00 N ATOM 1410 CA ARG A 85 92.249 -7.778 -4.323 1.00 0.00 C ATOM 1411 C ARG A 85 91.951 -6.292 -4.451 1.00 0.00 C ATOM 1412 O ARG A 85 92.523 -5.597 -5.294 1.00 0.00 O ATOM 1413 CB ARG A 85 93.708 -8.005 -3.934 1.00 0.00 C ATOM 1414 CG ARG A 85 94.028 -9.472 -3.714 1.00 0.00 C ATOM 1415 CD ARG A 85 95.473 -9.694 -3.313 1.00 0.00 C ATOM 1416 NE ARG A 85 95.737 -11.105 -3.036 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.828 -11.753 -3.429 1.00 0.00 C ATOM 1418 NH1 ARG A 85 97.800 -11.111 -4.064 1.00 0.00 N ATOM 1419 NH2 ARG A 85 96.955 -13.042 -3.164 1.00 0.00 N ATOM 0 H ARG A 85 92.609 -8.306 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 85 91.608 -8.175 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.355 -7.608 -4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.929 -7.447 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.373 -9.872 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.818 -10.028 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.131 -9.348 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.703 -9.099 -2.429 1.00 0.00 H new ATOM 0 HE ARG A 85 95.038 -11.626 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.713 -10.113 -4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.635 -11.616 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.217 -13.534 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.791 -13.544 -3.464 1.00 0.00 H new ATOM 1433 N VAL A 86 91.039 -5.817 -3.619 1.00 0.00 N ATOM 1434 CA VAL A 86 90.690 -4.408 -3.586 1.00 0.00 C ATOM 1435 C VAL A 86 91.590 -3.680 -2.597 1.00 0.00 C ATOM 1436 O VAL A 86 91.498 -3.896 -1.391 1.00 0.00 O ATOM 1437 CB VAL A 86 89.209 -4.200 -3.200 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.868 -2.721 -3.144 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.300 -4.924 -4.180 1.00 0.00 C ATOM 0 H VAL A 86 90.524 -6.392 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 86 90.835 -4.000 -4.586 1.00 0.00 H new ATOM 0 HB VAL A 86 89.051 -4.620 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.820 -2.599 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.496 -2.231 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 86 89.043 -2.270 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.260 -4.768 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.463 -4.533 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.524 -5.991 -4.165 1.00 0.00 H new ATOM 1449 N VAL A 87 92.465 -2.834 -3.121 1.00 0.00 N ATOM 1450 CA VAL A 87 93.485 -2.177 -2.314 1.00 0.00 C ATOM 1451 C VAL A 87 93.141 -0.708 -2.079 1.00 0.00 C ATOM 1452 O VAL A 87 92.637 -0.026 -2.972 1.00 0.00 O ATOM 1453 CB VAL A 87 94.872 -2.270 -2.990 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.957 -1.685 -2.094 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.199 -3.711 -3.355 1.00 0.00 C ATOM 0 H VAL A 87 92.489 -2.584 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 87 93.517 -2.694 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 87 94.837 -1.683 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.923 -1.763 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.736 -0.637 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.989 -2.236 -1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.179 -3.753 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 87 95.206 -4.322 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.446 -4.092 -4.045 1.00 0.00 H new ATOM 1465 N THR A 88 93.402 -0.239 -0.871 1.00 0.00 N ATOM 1466 CA THR A 88 93.198 1.154 -0.510 1.00 0.00 C ATOM 1467 C THR A 88 94.242 1.564 0.531 1.00 0.00 C ATOM 1468 O THR A 88 94.751 0.717 1.267 1.00 0.00 O ATOM 1469 CB THR A 88 91.772 1.369 0.042 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.814 0.914 -0.920 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.509 2.834 0.359 1.00 0.00 C ATOM 0 H THR A 88 93.762 -0.815 -0.110 1.00 0.00 H new ATOM 0 HA THR A 88 93.312 1.775 -1.399 1.00 0.00 H new ATOM 0 HB THR A 88 91.680 0.799 0.967 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.957 0.749 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.496 2.947 0.745 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.223 3.178 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.620 3.428 -0.548 1.00 0.00 H new ATOM 1479 N ASP A 89 94.593 2.842 0.575 1.00 0.00 N ATOM 1480 CA ASP A 89 95.590 3.316 1.532 1.00 0.00 C ATOM 1481 C ASP A 89 95.056 3.224 2.958 1.00 0.00 C ATOM 1482 O ASP A 89 93.986 3.749 3.265 1.00 0.00 O ATOM 1483 CB ASP A 89 96.004 4.752 1.226 1.00 0.00 C ATOM 1484 CG ASP A 89 97.213 5.175 2.034 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.039 5.621 3.186 1.00 0.00 O ATOM 1486 OD2 ASP A 89 98.346 5.047 1.520 1.00 0.00 O ATOM 0 H ASP A 89 94.208 3.565 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 89 96.467 2.675 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.226 4.847 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.172 5.423 1.439 1.00 0.00 H new ATOM 1491 N TYR A 90 95.818 2.570 3.826 1.00 0.00 N ATOM 1492 CA TYR A 90 95.378 2.307 5.191 1.00 0.00 C ATOM 1493 C TYR A 90 95.519 3.548 6.059 1.00 0.00 C ATOM 1494 O TYR A 90 94.738 3.755 6.987 1.00 0.00 O ATOM 1495 CB TYR A 90 96.180 1.145 5.788 1.00 0.00 C ATOM 1496 CG TYR A 90 95.680 0.675 7.138 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.418 0.114 7.272 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.472 0.787 8.275 1.00 0.00 C ATOM 1499 CE1 TYR A 90 93.956 -0.322 8.497 1.00 0.00 C ATOM 1500 CE2 TYR A 90 96.017 0.349 9.507 1.00 0.00 C ATOM 1501 CZ TYR A 90 94.758 -0.205 9.610 1.00 0.00 C ATOM 1502 OH TYR A 90 94.297 -0.646 10.831 1.00 0.00 O ATOM 0 H TYR A 90 96.747 2.211 3.608 1.00 0.00 H new ATOM 0 HA TYR A 90 94.323 2.033 5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.156 0.306 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.222 1.449 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.786 0.017 6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.457 1.222 8.196 1.00 0.00 H new ATOM 0 HE1 TYR A 90 92.969 -0.753 8.582 1.00 0.00 H new ATOM 0 HE2 TYR A 90 96.644 0.440 10.382 1.00 0.00 H new ATOM 0 HH TYR A 90 94.983 -0.493 11.514 1.00 0.00 H new ATOM 1512 N SER A 91 96.493 4.385 5.744 1.00 0.00 N ATOM 1513 CA SER A 91 96.725 5.588 6.521 1.00 0.00 C ATOM 1514 C SER A 91 95.613 6.596 6.251 1.00 0.00 C ATOM 1515 O SER A 91 95.118 7.252 7.169 1.00 0.00 O ATOM 1516 CB SER A 91 98.093 6.185 6.185 1.00 0.00 C ATOM 1517 OG SER A 91 98.471 7.180 7.123 1.00 0.00 O ATOM 0 H SER A 91 97.132 4.254 4.960 1.00 0.00 H new ATOM 0 HA SER A 91 96.719 5.335 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 91 98.843 5.394 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.067 6.618 5.185 1.00 0.00 H new ATOM 0 HG SER A 91 99.350 7.540 6.881 1.00 0.00 H new ATOM 1523 N GLU A 92 95.208 6.700 4.989 1.00 0.00 N ATOM 1524 CA GLU A 92 94.096 7.567 4.619 1.00 0.00 C ATOM 1525 C GLU A 92 92.778 7.009 5.152 1.00 0.00 C ATOM 1526 O GLU A 92 91.908 7.764 5.586 1.00 0.00 O ATOM 1527 CB GLU A 92 94.016 7.749 3.103 1.00 0.00 C ATOM 1528 CG GLU A 92 95.237 8.424 2.504 1.00 0.00 C ATOM 1529 CD GLU A 92 95.010 8.894 1.080 1.00 0.00 C ATOM 1530 OE1 GLU A 92 95.100 8.068 0.148 1.00 0.00 O ATOM 1531 OE2 GLU A 92 94.738 10.101 0.889 1.00 0.00 O ATOM 0 H GLU A 92 95.631 6.197 4.209 1.00 0.00 H new ATOM 0 HA GLU A 92 94.273 8.543 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.885 6.773 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.131 8.339 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.515 9.277 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.076 7.729 2.523 1.00 0.00 H new ATOM 1538 N PHE A 93 92.642 5.685 5.124 1.00 0.00 N ATOM 1539 CA PHE A 93 91.457 5.017 5.655 1.00 0.00 C ATOM 1540 C PHE A 93 91.313 5.293 7.152 1.00 0.00 C ATOM 1541 O PHE A 93 90.235 5.654 7.629 1.00 0.00 O ATOM 1542 CB PHE A 93 91.540 3.508 5.393 1.00 0.00 C ATOM 1543 CG PHE A 93 90.362 2.731 5.915 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.116 2.850 5.321 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.504 1.878 6.999 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.034 2.135 5.798 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.426 1.161 7.481 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.189 1.289 6.879 1.00 0.00 C ATOM 0 H PHE A 93 93.342 5.051 4.737 1.00 0.00 H new ATOM 0 HA PHE A 93 90.577 5.412 5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.626 3.340 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.450 3.120 5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.989 3.509 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.469 1.773 7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.068 2.238 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.550 0.501 8.327 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.345 0.729 7.253 1.00 0.00 H new ATOM 1558 N GLN A 94 92.411 5.138 7.882 1.00 0.00 N ATOM 1559 CA GLN A 94 92.427 5.406 9.315 1.00 0.00 C ATOM 1560 C GLN A 94 92.195 6.886 9.597 1.00 0.00 C ATOM 1561 O GLN A 94 91.608 7.249 10.617 1.00 0.00 O ATOM 1562 CB GLN A 94 93.749 4.941 9.930 1.00 0.00 C ATOM 1563 CG GLN A 94 93.823 3.437 10.156 1.00 0.00 C ATOM 1564 CD GLN A 94 92.861 2.960 11.231 1.00 0.00 C ATOM 1565 OE1 GLN A 94 92.559 3.686 12.179 1.00 0.00 O ATOM 1566 NE2 GLN A 94 92.373 1.740 11.090 1.00 0.00 N ATOM 0 H GLN A 94 93.305 4.827 7.503 1.00 0.00 H new ATOM 0 HA GLN A 94 91.613 4.845 9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.569 5.242 9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.896 5.450 10.882 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.602 2.922 9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.840 3.165 10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 94 92.648 1.170 10.290 1.00 0.00 H new ATOM 0 HE22 GLN A 94 91.721 1.368 11.781 1.00 0.00 H new ATOM 1575 N LYS A 95 92.644 7.738 8.682 1.00 0.00 N ATOM 1576 CA LYS A 95 92.413 9.173 8.791 1.00 0.00 C ATOM 1577 C LYS A 95 90.918 9.473 8.655 1.00 0.00 C ATOM 1578 O LYS A 95 90.388 10.360 9.324 1.00 0.00 O ATOM 1579 CB LYS A 95 93.213 9.919 7.717 1.00 0.00 C ATOM 1580 CG LYS A 95 93.175 11.434 7.849 1.00 0.00 C ATOM 1581 CD LYS A 95 93.883 11.909 9.108 1.00 0.00 C ATOM 1582 CE LYS A 95 93.947 13.426 9.171 1.00 0.00 C ATOM 1583 NZ LYS A 95 94.686 13.899 10.371 1.00 0.00 N ATOM 0 H LYS A 95 93.171 7.458 7.855 1.00 0.00 H new ATOM 0 HA LYS A 95 92.749 9.515 9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 95 94.251 9.588 7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.828 9.642 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 95 93.644 11.887 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 95 92.139 11.772 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 95 93.361 11.529 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 95 94.893 11.500 9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 95 94.432 13.807 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 95 92.936 13.832 9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 94.708 14.939 10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 94.209 13.557 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 95.659 13.533 10.346 1.00 0.00 H new ATOM 1597 N ILE A 96 90.241 8.713 7.799 1.00 0.00 N ATOM 1598 CA ILE A 96 88.796 8.836 7.637 1.00 0.00 C ATOM 1599 C ILE A 96 88.078 8.385 8.900 1.00 0.00 C ATOM 1600 O ILE A 96 87.088 8.989 9.319 1.00 0.00 O ATOM 1601 CB ILE A 96 88.286 8.010 6.438 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.865 8.569 5.142 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.761 8.002 6.389 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.424 7.820 3.913 1.00 0.00 C ATOM 0 H ILE A 96 90.671 8.004 7.206 1.00 0.00 H new ATOM 0 HA ILE A 96 88.581 9.888 7.449 1.00 0.00 H new ATOM 0 HB ILE A 96 88.619 6.979 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.573 9.615 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.953 8.546 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.428 7.413 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.370 7.564 7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.395 9.024 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.874 8.273 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.740 6.779 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.338 7.864 3.830 1.00 0.00 H new ATOM 1616 N LEU A 97 88.593 7.329 9.514 1.00 0.00 N ATOM 1617 CA LEU A 97 88.043 6.839 10.769 1.00 0.00 C ATOM 1618 C LEU A 97 88.195 7.896 11.858 1.00 0.00 C ATOM 1619 O LEU A 97 87.415 7.936 12.807 1.00 0.00 O ATOM 1620 CB LEU A 97 88.722 5.534 11.190 1.00 0.00 C ATOM 1621 CG LEU A 97 88.588 4.381 10.190 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.224 3.119 10.745 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.126 4.133 9.847 1.00 0.00 C ATOM 0 H LEU A 97 89.389 6.796 9.164 1.00 0.00 H new ATOM 0 HA LEU A 97 86.982 6.635 10.623 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.781 5.730 11.355 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.304 5.217 12.145 1.00 0.00 H new ATOM 0 HG LEU A 97 89.112 4.660 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.119 2.310 10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.282 3.299 10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 97 88.728 2.840 11.675 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.054 3.310 9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.578 3.878 10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.698 5.033 9.406 1.00 0.00 H new ATOM 1635 N LYS A 98 89.194 8.763 11.697 1.00 0.00 N ATOM 1636 CA LYS A 98 89.405 9.872 12.619 1.00 0.00 C ATOM 1637 C LYS A 98 88.447 11.022 12.322 1.00 0.00 C ATOM 1638 O LYS A 98 88.126 11.808 13.211 1.00 0.00 O ATOM 1639 CB LYS A 98 90.848 10.377 12.552 1.00 0.00 C ATOM 1640 CG LYS A 98 91.869 9.384 13.081 1.00 0.00 C ATOM 1641 CD LYS A 98 93.273 9.964 13.046 1.00 0.00 C ATOM 1642 CE LYS A 98 94.292 8.996 13.625 1.00 0.00 C ATOM 1643 NZ LYS A 98 95.660 9.578 13.641 1.00 0.00 N ATOM 0 H LYS A 98 89.870 8.716 10.934 1.00 0.00 H new ATOM 0 HA LYS A 98 89.208 9.499 13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.091 10.618 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.926 11.303 13.122 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.613 9.106 14.104 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.835 8.472 12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.542 10.205 12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 98 93.296 10.897 13.609 1.00 0.00 H new ATOM 0 HE2 LYS A 98 94.000 8.725 14.640 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.295 8.077 13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 96.326 8.888 14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 95.949 9.813 12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 95.663 10.441 14.222 1.00 0.00 H new ATOM 1657 N LYS A 99 88.002 11.132 11.068 1.00 0.00 N ATOM 1658 CA LYS A 99 87.008 12.139 10.707 1.00 0.00 C ATOM 1659 C LYS A 99 85.718 11.890 11.473 1.00 0.00 C ATOM 1660 O LYS A 99 85.178 12.786 12.123 1.00 0.00 O ATOM 1661 CB LYS A 99 86.676 12.124 9.208 1.00 0.00 C ATOM 1662 CG LYS A 99 87.807 12.519 8.274 1.00 0.00 C ATOM 1663 CD LYS A 99 87.235 13.060 6.969 1.00 0.00 C ATOM 1664 CE LYS A 99 88.284 13.224 5.881 1.00 0.00 C ATOM 1665 NZ LYS A 99 88.574 11.943 5.179 1.00 0.00 N ATOM 0 H LYS A 99 88.311 10.542 10.295 1.00 0.00 H new ATOM 0 HA LYS A 99 87.439 13.108 10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 99 86.342 11.122 8.940 1.00 0.00 H new ATOM 0 HB3 LYS A 99 85.836 12.797 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 99 88.434 13.274 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 99 88.443 11.657 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 99 86.455 12.387 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.763 14.024 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 99 87.941 13.963 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 99 89.203 13.611 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 88.870 12.142 4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 89.336 11.439 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 87.718 11.352 5.168 1.00 0.00 H new ATOM 1679 N ARG A 100 85.240 10.654 11.394 1.00 0.00 N ATOM 1680 CA ARG A 100 83.948 10.300 11.959 1.00 0.00 C ATOM 1681 C ARG A 100 84.077 9.935 13.432 1.00 0.00 C ATOM 1682 O ARG A 100 83.151 10.140 14.218 1.00 0.00 O ATOM 1683 CB ARG A 100 83.338 9.123 11.192 1.00 0.00 C ATOM 1684 CG ARG A 100 83.619 9.149 9.698 1.00 0.00 C ATOM 1685 CD ARG A 100 82.674 8.236 8.938 1.00 0.00 C ATOM 1686 NE ARG A 100 81.334 8.811 8.856 1.00 0.00 N ATOM 1687 CZ ARG A 100 80.205 8.111 8.868 1.00 0.00 C ATOM 1688 NH1 ARG A 100 80.222 6.789 8.992 1.00 0.00 N ATOM 1689 NH2 ARG A 100 79.046 8.744 8.761 1.00 0.00 N ATOM 0 H ARG A 100 85.730 9.881 10.943 1.00 0.00 H new ATOM 0 HA ARG A 100 83.295 11.168 11.871 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.723 8.192 11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 100 82.259 9.120 11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 100 83.519 10.169 9.326 1.00 0.00 H new ATOM 0 HG3 ARG A 100 84.649 8.842 9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 100 83.060 8.064 7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.626 7.266 9.432 1.00 0.00 H new ATOM 0 HE ARG A 100 81.259 9.826 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 100 81.111 6.296 9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 100 79.346 6.266 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 100 79.026 9.760 8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 100 78.174 8.216 8.769 1.00 0.00 H new ATOM 1703 N GLY A 101 85.230 9.400 13.803 1.00 0.00 N ATOM 1704 CA GLY A 101 85.425 8.931 15.157 1.00 0.00 C ATOM 1705 C GLY A 101 84.852 7.542 15.345 1.00 0.00 C ATOM 1706 O GLY A 101 84.077 7.299 16.272 1.00 0.00 O ATOM 0 H GLY A 101 86.035 9.282 13.188 1.00 0.00 H new ATOM 0 HA2 GLY A 101 86.489 8.923 15.392 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.950 9.620 15.855 1.00 0.00 H new