USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 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 32 TYR OH : rot 180:sc= -0.145 USER MOD Set 1.2: A 36 LYS NZ :NH3+ -123:sc= 1 (180deg=-0.731!) USER MOD Single : A 2 ASN : amide:sc= 1.12 K(o=1.1,f=-0.021) USER MOD Single : A 3 SER OG : rot -111:sc= 1.11 USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= 1.12 (180deg=-0.157) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.236 K(o=0.24,f=-1.3) USER MOD Single : A 25 HIS : no HD1:sc= 1.11 K(o=1.1,f=-5.6!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.85 (180deg=1.29) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.104) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.848 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.926 (180deg=0.802) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 167:sc= 1.56 USER MOD Single : A 83 ASN : amide:sc= -0.328 K(o=-0.33,f=-1) USER MOD Single : A 88 THR OG1 : rot 123:sc= 0.832 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.00944 K(o=0.0094,f=-0.88) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.11) USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= -0.0327 (180deg=-0.217) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.459 -9.795 -5.450 1.00 0.00 N ATOM 21 CA ASN A 2 81.708 -10.106 -6.132 1.00 0.00 C ATOM 22 C ASN A 2 82.384 -8.813 -6.547 1.00 0.00 C ATOM 23 O ASN A 2 81.829 -7.731 -6.339 1.00 0.00 O ATOM 24 CB ASN A 2 81.462 -10.965 -7.382 1.00 0.00 C ATOM 25 CG ASN A 2 81.032 -12.383 -7.065 1.00 0.00 C ATOM 26 OD1 ASN A 2 79.840 -12.678 -6.958 1.00 0.00 O ATOM 27 ND2 ASN A 2 81.999 -13.270 -6.911 1.00 0.00 N ATOM 0 HA ASN A 2 82.342 -10.668 -5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.696 -10.490 -7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.374 -10.995 -7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 2 81.771 -14.241 -6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 2 82.973 -12.984 -7.008 1.00 0.00 H new ATOM 34 N SER A 3 83.560 -8.913 -7.150 1.00 0.00 N ATOM 35 CA SER A 3 84.243 -7.734 -7.671 1.00 0.00 C ATOM 36 C SER A 3 83.422 -7.104 -8.795 1.00 0.00 C ATOM 37 O SER A 3 83.456 -5.891 -9.006 1.00 0.00 O ATOM 38 CB SER A 3 85.636 -8.106 -8.173 1.00 0.00 C ATOM 39 OG SER A 3 85.569 -9.181 -9.094 1.00 0.00 O ATOM 0 H SER A 3 84.060 -9.791 -7.291 1.00 0.00 H new ATOM 0 HA SER A 3 84.349 -7.006 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.099 -7.242 -8.649 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.269 -8.382 -7.330 1.00 0.00 H new ATOM 0 HG SER A 3 85.965 -9.982 -8.691 1.00 0.00 H new ATOM 45 N GLU A 4 82.675 -7.946 -9.504 1.00 0.00 N ATOM 46 CA GLU A 4 81.782 -7.491 -10.561 1.00 0.00 C ATOM 47 C GLU A 4 80.671 -6.625 -9.970 1.00 0.00 C ATOM 48 O GLU A 4 80.278 -5.618 -10.555 1.00 0.00 O ATOM 49 CB GLU A 4 81.192 -8.696 -11.299 1.00 0.00 C ATOM 50 CG GLU A 4 80.263 -8.331 -12.444 1.00 0.00 C ATOM 51 CD GLU A 4 79.835 -9.542 -13.246 1.00 0.00 C ATOM 52 OE1 GLU A 4 79.066 -10.370 -12.715 1.00 0.00 O ATOM 53 OE2 GLU A 4 80.279 -9.682 -14.405 1.00 0.00 O ATOM 0 H GLU A 4 82.672 -8.956 -9.362 1.00 0.00 H new ATOM 0 HA GLU A 4 82.346 -6.889 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 4 82.008 -9.305 -11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.646 -9.313 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.380 -7.831 -12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.763 -7.620 -13.102 1.00 0.00 H new ATOM 60 N VAL A 5 80.195 -7.014 -8.792 1.00 0.00 N ATOM 61 CA VAL A 5 79.195 -6.233 -8.073 1.00 0.00 C ATOM 62 C VAL A 5 79.764 -4.866 -7.716 1.00 0.00 C ATOM 63 O VAL A 5 79.092 -3.845 -7.848 1.00 0.00 O ATOM 64 CB VAL A 5 78.733 -6.956 -6.784 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.763 -6.095 -5.986 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.100 -8.296 -7.121 1.00 0.00 C ATOM 0 H VAL A 5 80.486 -7.867 -8.314 1.00 0.00 H new ATOM 0 HA VAL A 5 78.330 -6.114 -8.725 1.00 0.00 H new ATOM 0 HB VAL A 5 79.613 -7.132 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.457 -6.630 -5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.251 -5.162 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.886 -5.876 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.782 -8.789 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.236 -8.138 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.828 -8.923 -7.636 1.00 0.00 H new ATOM 76 N ILE A 6 81.020 -4.859 -7.284 1.00 0.00 N ATOM 77 CA ILE A 6 81.719 -3.619 -6.968 1.00 0.00 C ATOM 78 C ILE A 6 81.845 -2.747 -8.216 1.00 0.00 C ATOM 79 O ILE A 6 81.612 -1.538 -8.162 1.00 0.00 O ATOM 80 CB ILE A 6 83.119 -3.899 -6.381 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.994 -4.759 -5.119 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.844 -2.594 -6.072 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.323 -5.185 -4.535 1.00 0.00 C ATOM 0 H ILE A 6 81.577 -5.702 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 6 81.133 -3.089 -6.217 1.00 0.00 H new ATOM 0 HB ILE A 6 83.706 -4.444 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.438 -4.202 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.409 -5.648 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.829 -2.814 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.956 -2.014 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.267 -2.020 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.152 -5.790 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.873 -5.771 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.903 -4.302 -4.267 1.00 0.00 H new ATOM 95 N LYS A 7 82.200 -3.376 -9.338 1.00 0.00 N ATOM 96 CA LYS A 7 82.260 -2.687 -10.627 1.00 0.00 C ATOM 97 C LYS A 7 80.954 -1.958 -10.910 1.00 0.00 C ATOM 98 O LYS A 7 80.942 -0.756 -11.168 1.00 0.00 O ATOM 99 CB LYS A 7 82.518 -3.679 -11.768 1.00 0.00 C ATOM 100 CG LYS A 7 83.958 -4.143 -11.908 1.00 0.00 C ATOM 101 CD LYS A 7 84.082 -5.128 -13.063 1.00 0.00 C ATOM 102 CE LYS A 7 85.530 -5.406 -13.433 1.00 0.00 C ATOM 103 NZ LYS A 7 86.297 -5.998 -12.310 1.00 0.00 N ATOM 0 H LYS A 7 82.451 -4.364 -9.379 1.00 0.00 H new ATOM 0 HA LYS A 7 83.080 -1.970 -10.572 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.884 -4.553 -11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.209 -3.218 -12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.609 -3.286 -12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.288 -4.614 -10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.592 -6.064 -12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.557 -4.733 -13.932 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.560 -6.083 -14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.007 -4.477 -13.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.097 -6.546 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.656 -5.239 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.677 -6.625 -11.759 1.00 0.00 H new ATOM 117 N GLU A 8 79.851 -2.693 -10.838 1.00 0.00 N ATOM 118 CA GLU A 8 78.545 -2.152 -11.182 1.00 0.00 C ATOM 119 C GLU A 8 78.057 -1.140 -10.148 1.00 0.00 C ATOM 120 O GLU A 8 77.258 -0.257 -10.464 1.00 0.00 O ATOM 121 CB GLU A 8 77.536 -3.284 -11.348 1.00 0.00 C ATOM 122 CG GLU A 8 77.909 -4.251 -12.459 1.00 0.00 C ATOM 123 CD GLU A 8 76.800 -5.223 -12.783 1.00 0.00 C ATOM 124 OE1 GLU A 8 75.898 -4.857 -13.570 1.00 0.00 O ATOM 125 OE2 GLU A 8 76.821 -6.354 -12.267 1.00 0.00 O ATOM 0 H GLU A 8 79.837 -3.669 -10.543 1.00 0.00 H new ATOM 0 HA GLU A 8 78.643 -1.621 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.454 -3.832 -10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.554 -2.860 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 8 78.165 -3.686 -13.356 1.00 0.00 H new ATOM 0 HG3 GLU A 8 78.800 -4.807 -12.167 1.00 0.00 H new ATOM 132 N PHE A 9 78.535 -1.269 -8.917 1.00 0.00 N ATOM 133 CA PHE A 9 78.237 -0.293 -7.877 1.00 0.00 C ATOM 134 C PHE A 9 78.903 1.038 -8.208 1.00 0.00 C ATOM 135 O PHE A 9 78.298 2.104 -8.090 1.00 0.00 O ATOM 136 CB PHE A 9 78.713 -0.807 -6.514 1.00 0.00 C ATOM 137 CG PHE A 9 78.525 0.174 -5.389 1.00 0.00 C ATOM 138 CD1 PHE A 9 77.261 0.447 -4.893 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.617 0.821 -4.828 1.00 0.00 C ATOM 140 CE1 PHE A 9 77.089 1.349 -3.858 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.449 1.722 -3.793 1.00 0.00 C ATOM 142 CZ PHE A 9 78.184 1.987 -3.308 1.00 0.00 C ATOM 0 H PHE A 9 79.131 -2.040 -8.614 1.00 0.00 H new ATOM 0 HA PHE A 9 77.158 -0.143 -7.830 1.00 0.00 H new ATOM 0 HB2 PHE A 9 78.175 -1.725 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.770 -1.066 -6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.401 -0.049 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.609 0.618 -5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 9 76.098 1.554 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 9 80.307 2.218 -3.364 1.00 0.00 H new ATOM 0 HZ PHE A 9 78.051 2.692 -2.500 1.00 0.00 H new ATOM 152 N LEU A 10 80.153 0.963 -8.647 1.00 0.00 N ATOM 153 CA LEU A 10 80.904 2.147 -9.036 1.00 0.00 C ATOM 154 C LEU A 10 80.380 2.698 -10.356 1.00 0.00 C ATOM 155 O LEU A 10 80.364 3.909 -10.571 1.00 0.00 O ATOM 156 CB LEU A 10 82.388 1.808 -9.159 1.00 0.00 C ATOM 157 CG LEU A 10 83.026 1.259 -7.884 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.431 0.761 -8.166 1.00 0.00 C ATOM 159 CD2 LEU A 10 83.045 2.322 -6.795 1.00 0.00 C ATOM 0 H LEU A 10 80.669 0.089 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 10 80.778 2.909 -8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.514 1.076 -9.956 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.928 2.705 -9.462 1.00 0.00 H new ATOM 0 HG LEU A 10 82.426 0.419 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.871 0.373 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.393 -0.032 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 10 85.040 1.583 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.503 1.912 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.621 3.182 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 10 82.024 2.634 -6.573 1.00 0.00 H new ATOM 171 N GLU A 11 79.949 1.796 -11.228 1.00 0.00 N ATOM 172 CA GLU A 11 79.377 2.167 -12.519 1.00 0.00 C ATOM 173 C GLU A 11 78.082 2.955 -12.321 1.00 0.00 C ATOM 174 O GLU A 11 77.750 3.840 -13.113 1.00 0.00 O ATOM 175 CB GLU A 11 79.109 0.902 -13.342 1.00 0.00 C ATOM 176 CG GLU A 11 78.680 1.167 -14.776 1.00 0.00 C ATOM 177 CD GLU A 11 79.757 1.850 -15.593 1.00 0.00 C ATOM 178 OE1 GLU A 11 80.850 1.267 -15.752 1.00 0.00 O ATOM 179 OE2 GLU A 11 79.503 2.960 -16.106 1.00 0.00 O ATOM 0 H GLU A 11 79.985 0.790 -11.063 1.00 0.00 H new ATOM 0 HA GLU A 11 80.084 2.800 -13.054 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.012 0.291 -13.352 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.334 0.317 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.413 0.223 -15.251 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.784 1.787 -14.774 1.00 0.00 H new ATOM 186 N ASP A 12 77.362 2.628 -11.253 1.00 0.00 N ATOM 187 CA ASP A 12 76.113 3.308 -10.924 1.00 0.00 C ATOM 188 C ASP A 12 76.368 4.778 -10.614 1.00 0.00 C ATOM 189 O ASP A 12 75.839 5.666 -11.283 1.00 0.00 O ATOM 190 CB ASP A 12 75.442 2.637 -9.720 1.00 0.00 C ATOM 191 CG ASP A 12 74.102 3.257 -9.364 1.00 0.00 C ATOM 192 OD1 ASP A 12 74.081 4.344 -8.750 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.060 2.643 -9.681 1.00 0.00 O ATOM 0 H ASP A 12 77.623 1.892 -10.597 1.00 0.00 H new ATOM 0 HA ASP A 12 75.451 3.239 -11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.300 1.578 -9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 12 76.106 2.702 -8.858 1.00 0.00 H new ATOM 198 N ILE A 13 77.201 5.027 -9.612 1.00 0.00 N ATOM 199 CA ILE A 13 77.479 6.389 -9.164 1.00 0.00 C ATOM 200 C ILE A 13 78.438 7.112 -10.108 1.00 0.00 C ATOM 201 O ILE A 13 78.538 8.340 -10.081 1.00 0.00 O ATOM 202 CB ILE A 13 78.060 6.403 -7.734 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.287 5.488 -7.638 1.00 0.00 C ATOM 204 CG2 ILE A 13 76.995 5.984 -6.730 1.00 0.00 C ATOM 205 CD1 ILE A 13 79.917 5.447 -6.261 1.00 0.00 C ATOM 0 H ILE A 13 77.698 4.304 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 13 76.525 6.917 -9.166 1.00 0.00 H new ATOM 0 HB ILE A 13 78.378 7.419 -7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 13 78.997 4.477 -7.924 1.00 0.00 H new ATOM 0 HG13 ILE A 13 80.034 5.822 -8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.417 5.998 -5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.155 6.677 -6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.650 4.977 -6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.778 4.779 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.240 6.449 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.187 5.084 -5.538 1.00 0.00 H new ATOM 217 N GLY A 14 79.136 6.351 -10.938 1.00 0.00 N ATOM 218 CA GLY A 14 80.081 6.938 -11.866 1.00 0.00 C ATOM 219 C GLY A 14 81.389 7.286 -11.191 1.00 0.00 C ATOM 220 O GLY A 14 81.917 8.386 -11.362 1.00 0.00 O ATOM 0 H GLY A 14 79.065 5.335 -10.986 1.00 0.00 H new ATOM 0 HA2 GLY A 14 80.268 6.242 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 14 79.648 7.837 -12.305 1.00 0.00 H new ATOM 224 N GLU A 15 81.908 6.348 -10.413 1.00 0.00 N ATOM 225 CA GLU A 15 83.144 6.566 -9.684 1.00 0.00 C ATOM 226 C GLU A 15 84.328 5.970 -10.429 1.00 0.00 C ATOM 227 O GLU A 15 84.158 5.220 -11.392 1.00 0.00 O ATOM 228 CB GLU A 15 83.062 5.972 -8.278 1.00 0.00 C ATOM 229 CG GLU A 15 83.122 7.018 -7.178 1.00 0.00 C ATOM 230 CD GLU A 15 84.322 7.929 -7.319 1.00 0.00 C ATOM 231 OE1 GLU A 15 85.464 7.424 -7.290 1.00 0.00 O ATOM 232 OE2 GLU A 15 84.130 9.151 -7.484 1.00 0.00 O ATOM 0 H GLU A 15 81.490 5.428 -10.272 1.00 0.00 H new ATOM 0 HA GLU A 15 83.290 7.643 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.134 5.408 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 15 83.880 5.265 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 15 82.210 7.615 -7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 15 83.157 6.521 -6.208 1.00 0.00 H new ATOM 239 N ASP A 16 85.522 6.302 -9.970 1.00 0.00 N ATOM 240 CA ASP A 16 86.745 5.855 -10.614 1.00 0.00 C ATOM 241 C ASP A 16 87.284 4.625 -9.912 1.00 0.00 C ATOM 242 O ASP A 16 87.303 4.564 -8.682 1.00 0.00 O ATOM 243 CB ASP A 16 87.819 6.942 -10.572 1.00 0.00 C ATOM 244 CG ASP A 16 87.345 8.286 -11.080 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.828 9.079 -10.268 1.00 0.00 O ATOM 246 OD2 ASP A 16 87.523 8.572 -12.281 1.00 0.00 O ATOM 0 H ASP A 16 85.671 6.885 -9.146 1.00 0.00 H new ATOM 0 HA ASP A 16 86.505 5.625 -11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 16 88.169 7.054 -9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 16 88.673 6.619 -11.167 1.00 0.00 H new ATOM 251 N TYR A 17 87.729 3.653 -10.682 1.00 0.00 N ATOM 252 CA TYR A 17 88.393 2.498 -10.115 1.00 0.00 C ATOM 253 C TYR A 17 89.663 2.190 -10.889 1.00 0.00 C ATOM 254 O TYR A 17 89.626 1.888 -12.079 1.00 0.00 O ATOM 255 CB TYR A 17 87.460 1.275 -10.059 1.00 0.00 C ATOM 256 CG TYR A 17 86.743 0.937 -11.352 1.00 0.00 C ATOM 257 CD1 TYR A 17 85.553 1.568 -11.693 1.00 0.00 C ATOM 258 CD2 TYR A 17 87.240 -0.035 -12.216 1.00 0.00 C ATOM 259 CE1 TYR A 17 84.882 1.244 -12.857 1.00 0.00 C ATOM 260 CE2 TYR A 17 86.577 -0.358 -13.383 1.00 0.00 C ATOM 261 CZ TYR A 17 85.397 0.283 -13.698 1.00 0.00 C ATOM 262 OH TYR A 17 84.726 -0.041 -14.858 1.00 0.00 O ATOM 0 H TYR A 17 87.643 3.640 -11.698 1.00 0.00 H new ATOM 0 HA TYR A 17 88.665 2.735 -9.086 1.00 0.00 H new ATOM 0 HB2 TYR A 17 88.045 0.408 -9.752 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.713 1.446 -9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 17 85.146 2.324 -11.038 1.00 0.00 H new ATOM 0 HD2 TYR A 17 88.160 -0.545 -11.969 1.00 0.00 H new ATOM 0 HE1 TYR A 17 83.957 1.743 -13.106 1.00 0.00 H new ATOM 0 HE2 TYR A 17 86.980 -1.109 -14.046 1.00 0.00 H new ATOM 0 HH TYR A 17 85.222 -0.736 -15.340 1.00 0.00 H new ATOM 272 N ILE A 18 90.797 2.310 -10.214 1.00 0.00 N ATOM 273 CA ILE A 18 92.064 1.948 -10.815 1.00 0.00 C ATOM 274 C ILE A 18 92.272 0.459 -10.615 1.00 0.00 C ATOM 275 O ILE A 18 92.785 0.015 -9.585 1.00 0.00 O ATOM 276 CB ILE A 18 93.243 2.729 -10.193 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.976 4.234 -10.259 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.543 2.384 -10.911 1.00 0.00 C ATOM 279 CD1 ILE A 18 94.044 5.074 -9.589 1.00 0.00 C ATOM 0 H ILE A 18 90.862 2.653 -9.256 1.00 0.00 H new ATOM 0 HA ILE A 18 92.036 2.201 -11.875 1.00 0.00 H new ATOM 0 HB ILE A 18 93.340 2.441 -9.146 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.894 4.534 -11.304 1.00 0.00 H new ATOM 0 HG13 ILE A 18 92.015 4.444 -9.790 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.365 2.941 -10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.737 1.315 -10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 18 94.458 2.648 -11.965 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.785 6.129 -9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 18 94.112 4.803 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 18 95.004 4.894 -10.072 1.00 0.00 H new ATOM 291 N GLU A 19 91.837 -0.309 -11.593 1.00 0.00 N ATOM 292 CA GLU A 19 91.796 -1.746 -11.451 1.00 0.00 C ATOM 293 C GLU A 19 92.937 -2.406 -12.204 1.00 0.00 C ATOM 294 O GLU A 19 92.924 -2.504 -13.430 1.00 0.00 O ATOM 295 CB GLU A 19 90.453 -2.297 -11.929 1.00 0.00 C ATOM 296 CG GLU A 19 90.249 -3.760 -11.572 1.00 0.00 C ATOM 297 CD GLU A 19 88.931 -4.309 -12.068 1.00 0.00 C ATOM 298 OE1 GLU A 19 87.894 -4.087 -11.405 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.928 -4.986 -13.116 1.00 0.00 O ATOM 0 H GLU A 19 91.508 0.040 -12.493 1.00 0.00 H new ATOM 0 HA GLU A 19 91.911 -1.979 -10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.648 -1.707 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.383 -2.180 -13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.064 -4.349 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.300 -3.875 -10.489 1.00 0.00 H new ATOM 306 N LEU A 20 93.927 -2.843 -11.449 1.00 0.00 N ATOM 307 CA LEU A 20 95.020 -3.624 -11.987 1.00 0.00 C ATOM 308 C LEU A 20 94.551 -5.064 -12.143 1.00 0.00 C ATOM 309 O LEU A 20 93.379 -5.362 -11.910 1.00 0.00 O ATOM 310 CB LEU A 20 96.229 -3.560 -11.050 1.00 0.00 C ATOM 311 CG LEU A 20 96.767 -2.155 -10.772 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.906 -2.211 -9.769 1.00 0.00 C ATOM 313 CD2 LEU A 20 97.227 -1.492 -12.061 1.00 0.00 C ATOM 0 H LEU A 20 93.994 -2.666 -10.447 1.00 0.00 H new ATOM 0 HA LEU A 20 95.321 -3.224 -12.955 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.957 -4.021 -10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 20 97.032 -4.161 -11.478 1.00 0.00 H new ATOM 0 HG LEU A 20 95.960 -1.557 -10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 20 98.277 -1.203 -9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.547 -2.644 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.712 -2.826 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 20 97.606 -0.494 -11.842 1.00 0.00 H new ATOM 0 HD22 LEU A 20 98.018 -2.089 -12.515 1.00 0.00 H new ATOM 0 HD23 LEU A 20 96.387 -1.417 -12.752 1.00 0.00 H new ATOM 325 N GLU A 21 95.448 -5.954 -12.514 1.00 0.00 N ATOM 326 CA GLU A 21 95.082 -7.347 -12.691 1.00 0.00 C ATOM 327 C GLU A 21 94.770 -7.979 -11.334 1.00 0.00 C ATOM 328 O GLU A 21 95.674 -8.310 -10.564 1.00 0.00 O ATOM 329 CB GLU A 21 96.197 -8.096 -13.421 1.00 0.00 C ATOM 330 CG GLU A 21 96.507 -7.494 -14.786 1.00 0.00 C ATOM 331 CD GLU A 21 97.650 -8.183 -15.500 1.00 0.00 C ATOM 332 OE1 GLU A 21 98.808 -8.019 -15.069 1.00 0.00 O ATOM 333 OE2 GLU A 21 97.396 -8.869 -16.512 1.00 0.00 O ATOM 0 H GLU A 21 96.429 -5.742 -12.698 1.00 0.00 H new ATOM 0 HA GLU A 21 94.184 -7.412 -13.305 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.099 -8.085 -12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 21 95.909 -9.140 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 21 95.614 -7.546 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 21 96.749 -6.438 -14.663 1.00 0.00 H new ATOM 340 N ASN A 22 93.472 -8.090 -11.045 1.00 0.00 N ATOM 341 CA ASN A 22 92.968 -8.624 -9.775 1.00 0.00 C ATOM 342 C ASN A 22 93.217 -7.655 -8.622 1.00 0.00 C ATOM 343 O ASN A 22 93.363 -8.078 -7.474 1.00 0.00 O ATOM 344 CB ASN A 22 93.584 -9.990 -9.430 1.00 0.00 C ATOM 345 CG ASN A 22 93.107 -11.112 -10.330 1.00 0.00 C ATOM 346 OD1 ASN A 22 92.893 -10.928 -11.527 1.00 0.00 O ATOM 347 ND2 ASN A 22 92.913 -12.282 -9.745 1.00 0.00 N ATOM 0 H ASN A 22 92.734 -7.810 -11.690 1.00 0.00 H new ATOM 0 HA ASN A 22 91.894 -8.755 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 22 94.670 -9.918 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 22 93.344 -10.237 -8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 22 92.573 -13.075 -10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 22 93.103 -12.392 -8.749 1.00 0.00 H new ATOM 354 N GLU A 23 93.248 -6.359 -8.913 1.00 0.00 N ATOM 355 CA GLU A 23 93.416 -5.350 -7.869 1.00 0.00 C ATOM 356 C GLU A 23 92.620 -4.086 -8.167 1.00 0.00 C ATOM 357 O GLU A 23 92.937 -3.355 -9.095 1.00 0.00 O ATOM 358 CB GLU A 23 94.888 -4.985 -7.686 1.00 0.00 C ATOM 359 CG GLU A 23 95.519 -5.607 -6.455 1.00 0.00 C ATOM 360 CD GLU A 23 96.918 -5.091 -6.197 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.067 -3.876 -5.940 1.00 0.00 O ATOM 362 OE2 GLU A 23 97.870 -5.891 -6.245 1.00 0.00 O ATOM 0 H GLU A 23 93.160 -5.982 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 23 93.036 -5.791 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.444 -5.301 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.980 -3.901 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 23 94.893 -5.401 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.551 -6.690 -6.575 1.00 0.00 H new ATOM 369 N ILE A 24 91.619 -3.810 -7.352 1.00 0.00 N ATOM 370 CA ILE A 24 90.796 -2.622 -7.528 1.00 0.00 C ATOM 371 C ILE A 24 91.220 -1.539 -6.545 1.00 0.00 C ATOM 372 O ILE A 24 90.995 -1.666 -5.346 1.00 0.00 O ATOM 373 CB ILE A 24 89.295 -2.928 -7.316 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.855 -4.110 -8.185 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.455 -1.696 -7.632 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.408 -4.509 -7.983 1.00 0.00 C ATOM 0 H ILE A 24 91.353 -4.393 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 24 90.940 -2.279 -8.553 1.00 0.00 H new ATOM 0 HB ILE A 24 89.143 -3.197 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.010 -3.856 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.493 -4.967 -7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.401 -1.925 -7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.748 -0.878 -6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.615 -1.403 -8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.169 -5.352 -8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.251 -4.795 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.761 -3.667 -8.229 1.00 0.00 H new ATOM 388 N HIS A 25 91.859 -0.492 -7.043 1.00 0.00 N ATOM 389 CA HIS A 25 92.278 0.616 -6.193 1.00 0.00 C ATOM 390 C HIS A 25 91.248 1.735 -6.240 1.00 0.00 C ATOM 391 O HIS A 25 90.977 2.299 -7.303 1.00 0.00 O ATOM 392 CB HIS A 25 93.654 1.145 -6.609 1.00 0.00 C ATOM 393 CG HIS A 25 94.787 0.224 -6.264 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.791 0.562 -5.380 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.077 -1.028 -6.697 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.648 -0.440 -5.289 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.236 -1.416 -6.075 1.00 0.00 N ATOM 0 H HIS A 25 92.099 -0.384 -8.028 1.00 0.00 H new ATOM 0 HA HIS A 25 92.354 0.246 -5.171 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.655 1.320 -7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.823 2.109 -6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.502 -1.611 -7.401 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.536 -0.457 -4.675 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.704 -2.314 -6.200 1.00 0.00 H new ATOM 406 N LEU A 26 90.677 2.045 -5.086 1.00 0.00 N ATOM 407 CA LEU A 26 89.620 3.045 -4.995 1.00 0.00 C ATOM 408 C LEU A 26 90.059 4.234 -4.150 1.00 0.00 C ATOM 409 O LEU A 26 91.138 4.224 -3.557 1.00 0.00 O ATOM 410 CB LEU A 26 88.363 2.428 -4.375 1.00 0.00 C ATOM 411 CG LEU A 26 87.739 1.284 -5.170 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.537 0.716 -4.431 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.338 1.766 -6.553 1.00 0.00 C ATOM 0 H LEU A 26 90.928 1.617 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 26 89.403 3.392 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.611 2.063 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.616 3.212 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 26 88.478 0.490 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.104 -0.099 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 26 86.853 0.340 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.791 1.499 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.894 0.942 -7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.612 2.574 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.219 2.129 -7.082 1.00 0.00 H new ATOM 425 N LYS A 27 89.218 5.262 -4.113 1.00 0.00 N ATOM 426 CA LYS A 27 89.431 6.391 -3.221 1.00 0.00 C ATOM 427 C LYS A 27 89.104 5.971 -1.793 1.00 0.00 C ATOM 428 O LYS A 27 88.218 5.142 -1.582 1.00 0.00 O ATOM 429 CB LYS A 27 88.556 7.585 -3.621 1.00 0.00 C ATOM 430 CG LYS A 27 88.819 8.111 -5.022 1.00 0.00 C ATOM 431 CD LYS A 27 87.939 9.315 -5.322 1.00 0.00 C ATOM 432 CE LYS A 27 88.097 9.791 -6.757 1.00 0.00 C ATOM 433 NZ LYS A 27 87.675 8.754 -7.733 1.00 0.00 N ATOM 0 H LYS A 27 88.382 5.335 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 27 90.475 6.697 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.508 7.294 -3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.715 8.393 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.868 8.389 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.628 7.325 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.896 9.057 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 27 88.191 10.127 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 27 87.505 10.694 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.138 10.058 -6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 87.603 9.177 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 88.377 7.987 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.749 8.371 -7.454 1.00 0.00 H new ATOM 447 N PRO A 28 89.815 6.534 -0.802 1.00 0.00 N ATOM 448 CA PRO A 28 89.624 6.197 0.615 1.00 0.00 C ATOM 449 C PRO A 28 88.157 6.179 1.048 1.00 0.00 C ATOM 450 O PRO A 28 87.696 5.201 1.635 1.00 0.00 O ATOM 451 CB PRO A 28 90.381 7.307 1.337 1.00 0.00 C ATOM 452 CG PRO A 28 91.462 7.694 0.390 1.00 0.00 C ATOM 453 CD PRO A 28 90.881 7.534 -0.989 1.00 0.00 C ATOM 0 HA PRO A 28 89.978 5.190 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.729 8.151 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.790 6.958 2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 28 91.782 8.722 0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.340 7.061 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.485 8.476 -1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.631 7.192 -1.703 1.00 0.00 H new ATOM 461 N GLU A 29 87.424 7.249 0.752 1.00 0.00 N ATOM 462 CA GLU A 29 86.025 7.347 1.164 1.00 0.00 C ATOM 463 C GLU A 29 85.144 6.390 0.361 1.00 0.00 C ATOM 464 O GLU A 29 84.182 5.830 0.886 1.00 0.00 O ATOM 465 CB GLU A 29 85.517 8.785 1.021 1.00 0.00 C ATOM 466 CG GLU A 29 84.112 8.989 1.568 1.00 0.00 C ATOM 467 CD GLU A 29 83.624 10.416 1.432 1.00 0.00 C ATOM 468 OE1 GLU A 29 83.080 10.764 0.361 1.00 0.00 O ATOM 469 OE2 GLU A 29 83.765 11.193 2.400 1.00 0.00 O ATOM 0 H GLU A 29 87.771 8.055 0.232 1.00 0.00 H new ATOM 0 HA GLU A 29 85.968 7.060 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.201 9.457 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.532 9.064 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.425 8.325 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 29 84.093 8.703 2.620 1.00 0.00 H new ATOM 476 N VAL A 30 85.487 6.187 -0.905 1.00 0.00 N ATOM 477 CA VAL A 30 84.724 5.287 -1.762 1.00 0.00 C ATOM 478 C VAL A 30 84.879 3.846 -1.283 1.00 0.00 C ATOM 479 O VAL A 30 83.898 3.111 -1.158 1.00 0.00 O ATOM 480 CB VAL A 30 85.157 5.402 -3.240 1.00 0.00 C ATOM 481 CG1 VAL A 30 84.344 4.464 -4.121 1.00 0.00 C ATOM 482 CG2 VAL A 30 85.015 6.839 -3.720 1.00 0.00 C ATOM 0 H VAL A 30 86.285 6.631 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 30 83.676 5.579 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 30 86.204 5.109 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.669 4.565 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.493 3.436 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 30 83.287 4.719 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.323 6.906 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.975 7.152 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.645 7.489 -3.113 1.00 0.00 H new ATOM 492 N PHE A 31 86.116 3.459 -0.994 1.00 0.00 N ATOM 493 CA PHE A 31 86.402 2.147 -0.425 1.00 0.00 C ATOM 494 C PHE A 31 85.711 2.000 0.921 1.00 0.00 C ATOM 495 O PHE A 31 85.199 0.937 1.256 1.00 0.00 O ATOM 496 CB PHE A 31 87.908 1.963 -0.257 1.00 0.00 C ATOM 497 CG PHE A 31 88.302 0.696 0.456 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.290 -0.521 -0.206 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.692 0.726 1.786 1.00 0.00 C ATOM 500 CE1 PHE A 31 88.658 -1.683 0.444 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.062 -0.433 2.441 1.00 0.00 C ATOM 502 CZ PHE A 31 89.044 -1.640 1.769 1.00 0.00 C ATOM 0 H PHE A 31 86.941 4.039 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 31 86.025 1.382 -1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.375 1.972 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.307 2.815 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 31 87.989 -0.562 -1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.707 1.667 2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 31 88.644 -2.625 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.365 -0.395 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.331 -2.548 2.279 1.00 0.00 H new ATOM 512 N TYR A 32 85.704 3.084 1.678 1.00 0.00 N ATOM 513 CA TYR A 32 85.051 3.130 2.976 1.00 0.00 C ATOM 514 C TYR A 32 83.569 2.759 2.866 1.00 0.00 C ATOM 515 O TYR A 32 83.026 2.066 3.730 1.00 0.00 O ATOM 516 CB TYR A 32 85.239 4.528 3.574 1.00 0.00 C ATOM 517 CG TYR A 32 84.350 4.842 4.750 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.371 4.063 5.899 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.484 5.924 4.702 1.00 0.00 C ATOM 520 CE1 TYR A 32 83.551 4.358 6.969 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.662 6.225 5.764 1.00 0.00 C ATOM 522 CZ TYR A 32 82.700 5.441 6.894 1.00 0.00 C ATOM 523 OH TYR A 32 81.873 5.732 7.949 1.00 0.00 O ATOM 0 H TYR A 32 86.152 3.960 1.409 1.00 0.00 H new ATOM 0 HA TYR A 32 85.507 2.394 3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.278 4.638 3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 32 85.059 5.268 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.038 3.215 5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 32 83.454 6.541 3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 32 83.575 3.746 7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.992 7.070 5.711 1.00 0.00 H new ATOM 0 HH TYR A 32 81.339 6.526 7.737 1.00 0.00 H new ATOM 533 N GLU A 33 82.920 3.206 1.799 1.00 0.00 N ATOM 534 CA GLU A 33 81.522 2.867 1.571 1.00 0.00 C ATOM 535 C GLU A 33 81.377 1.431 1.065 1.00 0.00 C ATOM 536 O GLU A 33 80.429 0.732 1.429 1.00 0.00 O ATOM 537 CB GLU A 33 80.870 3.848 0.595 1.00 0.00 C ATOM 538 CG GLU A 33 80.702 5.247 1.167 1.00 0.00 C ATOM 539 CD GLU A 33 80.025 5.244 2.525 1.00 0.00 C ATOM 540 OE1 GLU A 33 79.101 4.432 2.741 1.00 0.00 O ATOM 541 OE2 GLU A 33 80.418 6.051 3.391 1.00 0.00 O ATOM 0 H GLU A 33 83.336 3.800 1.082 1.00 0.00 H new ATOM 0 HA GLU A 33 81.005 2.943 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.474 3.904 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.893 3.463 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 33 81.680 5.720 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 33 80.116 5.851 0.474 1.00 0.00 H new ATOM 548 N VAL A 34 82.319 0.991 0.236 1.00 0.00 N ATOM 549 CA VAL A 34 82.315 -0.383 -0.263 1.00 0.00 C ATOM 550 C VAL A 34 82.559 -1.363 0.885 1.00 0.00 C ATOM 551 O VAL A 34 82.020 -2.468 0.902 1.00 0.00 O ATOM 552 CB VAL A 34 83.378 -0.595 -1.369 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.374 -2.035 -1.864 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.138 0.361 -2.529 1.00 0.00 C ATOM 0 H VAL A 34 83.093 1.562 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 34 81.334 -0.570 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 34 84.357 -0.386 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 34 84.130 -2.155 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.596 -2.706 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.393 -2.276 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.894 0.198 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.149 0.181 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.199 1.389 -2.172 1.00 0.00 H new ATOM 564 N TRP A 35 83.356 -0.930 1.853 1.00 0.00 N ATOM 565 CA TRP A 35 83.631 -1.709 3.055 1.00 0.00 C ATOM 566 C TRP A 35 82.333 -2.059 3.784 1.00 0.00 C ATOM 567 O TRP A 35 82.165 -3.174 4.279 1.00 0.00 O ATOM 568 CB TRP A 35 84.576 -0.916 3.963 1.00 0.00 C ATOM 569 CG TRP A 35 84.832 -1.547 5.296 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.509 -2.704 5.545 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.428 -1.033 6.568 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.543 -2.948 6.897 1.00 0.00 N ATOM 573 CE2 TRP A 35 84.886 -1.934 7.546 1.00 0.00 C ATOM 574 CE3 TRP A 35 83.718 0.101 6.971 1.00 0.00 C ATOM 575 CZ2 TRP A 35 84.660 -1.734 8.905 1.00 0.00 C ATOM 576 CZ3 TRP A 35 83.494 0.300 8.319 1.00 0.00 C ATOM 577 CH2 TRP A 35 83.962 -0.613 9.273 1.00 0.00 C ATOM 0 H TRP A 35 83.831 -0.028 1.828 1.00 0.00 H new ATOM 0 HA TRP A 35 84.110 -2.647 2.775 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.528 -0.784 3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.159 0.079 4.120 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.953 -3.336 4.790 1.00 0.00 H new ATOM 0 HE1 TRP A 35 85.984 -3.751 7.344 1.00 0.00 H new ATOM 0 HE3 TRP A 35 83.351 0.808 6.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.021 -2.436 9.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 82.949 1.174 8.643 1.00 0.00 H new ATOM 0 HH2 TRP A 35 83.769 -0.430 10.320 1.00 0.00 H new ATOM 588 N LYS A 36 81.409 -1.107 3.833 1.00 0.00 N ATOM 589 CA LYS A 36 80.098 -1.354 4.419 1.00 0.00 C ATOM 590 C LYS A 36 79.299 -2.284 3.515 1.00 0.00 C ATOM 591 O LYS A 36 78.647 -3.219 3.979 1.00 0.00 O ATOM 592 CB LYS A 36 79.323 -0.048 4.592 1.00 0.00 C ATOM 593 CG LYS A 36 80.082 1.049 5.313 1.00 0.00 C ATOM 594 CD LYS A 36 79.270 2.330 5.315 1.00 0.00 C ATOM 595 CE LYS A 36 80.066 3.515 5.823 1.00 0.00 C ATOM 596 NZ LYS A 36 79.359 4.797 5.563 1.00 0.00 N ATOM 0 H LYS A 36 81.543 -0.161 3.476 1.00 0.00 H new ATOM 0 HA LYS A 36 80.244 -1.812 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.030 0.318 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.404 -0.256 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.294 0.742 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.042 1.219 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 36 78.920 2.537 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 36 78.385 2.196 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 80.241 3.405 6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 81.043 3.532 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 79.971 5.424 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 78.482 4.609 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 79.129 5.256 6.467 1.00 0.00 H new ATOM 610 N TYR A 37 79.383 -2.017 2.216 1.00 0.00 N ATOM 611 CA TYR A 37 78.637 -2.756 1.203 1.00 0.00 C ATOM 612 C TYR A 37 78.975 -4.246 1.249 1.00 0.00 C ATOM 613 O TYR A 37 78.098 -5.098 1.092 1.00 0.00 O ATOM 614 CB TYR A 37 78.963 -2.185 -0.184 1.00 0.00 C ATOM 615 CG TYR A 37 77.980 -2.567 -1.270 1.00 0.00 C ATOM 616 CD1 TYR A 37 78.081 -3.780 -1.941 1.00 0.00 C ATOM 617 CD2 TYR A 37 76.951 -1.705 -1.626 1.00 0.00 C ATOM 618 CE1 TYR A 37 77.184 -4.119 -2.935 1.00 0.00 C ATOM 619 CE2 TYR A 37 76.051 -2.038 -2.618 1.00 0.00 C ATOM 620 CZ TYR A 37 76.170 -3.246 -3.269 1.00 0.00 C ATOM 621 OH TYR A 37 75.270 -3.582 -4.257 1.00 0.00 O ATOM 0 H TYR A 37 79.973 -1.278 1.834 1.00 0.00 H new ATOM 0 HA TYR A 37 77.571 -2.647 1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 37 79.003 -1.098 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.957 -2.523 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 37 78.872 -4.467 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.853 -0.757 -1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 37 77.276 -5.064 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 37 75.257 -1.355 -2.882 1.00 0.00 H new ATOM 0 HH TYR A 37 74.619 -2.857 -4.367 1.00 0.00 H new ATOM 631 N VAL A 38 80.247 -4.555 1.478 1.00 0.00 N ATOM 632 CA VAL A 38 80.700 -5.941 1.505 1.00 0.00 C ATOM 633 C VAL A 38 80.443 -6.600 2.860 1.00 0.00 C ATOM 634 O VAL A 38 80.838 -7.744 3.084 1.00 0.00 O ATOM 635 CB VAL A 38 82.192 -6.067 1.133 1.00 0.00 C ATOM 636 CG1 VAL A 38 82.431 -5.557 -0.280 1.00 0.00 C ATOM 637 CG2 VAL A 38 83.072 -5.324 2.125 1.00 0.00 C ATOM 0 H VAL A 38 80.981 -3.867 1.647 1.00 0.00 H new ATOM 0 HA VAL A 38 80.113 -6.467 0.752 1.00 0.00 H new ATOM 0 HB VAL A 38 82.461 -7.122 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 38 83.488 -5.653 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.839 -6.143 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.137 -4.509 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 38 84.117 -5.432 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.804 -4.268 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.927 -5.739 3.122 1.00 0.00 H new ATOM 647 N GLY A 39 79.793 -5.876 3.766 1.00 0.00 N ATOM 648 CA GLY A 39 79.319 -6.483 4.999 1.00 0.00 C ATOM 649 C GLY A 39 80.196 -6.219 6.207 1.00 0.00 C ATOM 650 O GLY A 39 80.041 -6.887 7.232 1.00 0.00 O ATOM 0 H GLY A 39 79.586 -4.882 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.314 -6.115 5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.240 -7.560 4.852 1.00 0.00 H new ATOM 654 N GLU A 40 81.101 -5.248 6.097 1.00 0.00 N ATOM 655 CA GLU A 40 82.005 -4.890 7.197 1.00 0.00 C ATOM 656 C GLU A 40 82.832 -6.100 7.658 1.00 0.00 C ATOM 657 O GLU A 40 82.566 -6.687 8.710 1.00 0.00 O ATOM 658 CB GLU A 40 81.219 -4.299 8.378 1.00 0.00 C ATOM 659 CG GLU A 40 82.092 -3.858 9.546 1.00 0.00 C ATOM 660 CD GLU A 40 81.287 -3.442 10.761 1.00 0.00 C ATOM 661 OE1 GLU A 40 80.966 -4.319 11.599 1.00 0.00 O ATOM 662 OE2 GLU A 40 80.975 -2.242 10.892 1.00 0.00 O ATOM 0 H GLU A 40 81.231 -4.690 5.253 1.00 0.00 H new ATOM 0 HA GLU A 40 82.694 -4.133 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 40 80.643 -3.444 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.504 -5.041 8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 40 82.760 -4.674 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 40 82.719 -3.025 9.230 1.00 0.00 H new ATOM 669 N PRO A 41 83.816 -6.522 6.850 1.00 0.00 N ATOM 670 CA PRO A 41 84.726 -7.593 7.204 1.00 0.00 C ATOM 671 C PRO A 41 86.055 -7.065 7.742 1.00 0.00 C ATOM 672 O PRO A 41 86.310 -5.854 7.725 1.00 0.00 O ATOM 673 CB PRO A 41 84.934 -8.277 5.857 1.00 0.00 C ATOM 674 CG PRO A 41 84.860 -7.166 4.850 1.00 0.00 C ATOM 675 CD PRO A 41 84.107 -6.021 5.499 1.00 0.00 C ATOM 0 HA PRO A 41 84.341 -8.240 7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 41 85.897 -8.785 5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.168 -9.030 5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 41 85.860 -6.849 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.349 -7.499 3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.708 -5.112 5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.194 -5.782 4.954 1.00 0.00 H new ATOM 683 N GLU A 42 86.897 -7.968 8.223 1.00 0.00 N ATOM 684 CA GLU A 42 88.242 -7.601 8.635 1.00 0.00 C ATOM 685 C GLU A 42 89.106 -7.373 7.403 1.00 0.00 C ATOM 686 O GLU A 42 88.923 -8.029 6.377 1.00 0.00 O ATOM 687 CB GLU A 42 88.861 -8.679 9.523 1.00 0.00 C ATOM 688 CG GLU A 42 88.082 -8.938 10.800 1.00 0.00 C ATOM 689 CD GLU A 42 88.809 -9.877 11.734 1.00 0.00 C ATOM 690 OE1 GLU A 42 88.984 -11.061 11.377 1.00 0.00 O ATOM 691 OE2 GLU A 42 89.229 -9.430 12.824 1.00 0.00 O ATOM 0 H GLU A 42 86.673 -8.957 8.337 1.00 0.00 H new ATOM 0 HA GLU A 42 88.188 -6.681 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.932 -9.607 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.878 -8.385 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 42 87.899 -7.992 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 42 87.108 -9.359 10.550 1.00 0.00 H new ATOM 698 N LEU A 43 90.040 -6.445 7.501 1.00 0.00 N ATOM 699 CA LEU A 43 90.833 -6.051 6.350 1.00 0.00 C ATOM 700 C LEU A 43 92.291 -6.468 6.509 1.00 0.00 C ATOM 701 O LEU A 43 92.792 -6.611 7.630 1.00 0.00 O ATOM 702 CB LEU A 43 90.734 -4.538 6.151 1.00 0.00 C ATOM 703 CG LEU A 43 89.317 -3.998 5.942 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.330 -2.480 5.873 1.00 0.00 C ATOM 705 CD2 LEU A 43 88.703 -4.580 4.679 1.00 0.00 C ATOM 0 H LEU A 43 90.268 -5.951 8.364 1.00 0.00 H new ATOM 0 HA LEU A 43 90.437 -6.560 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.169 -4.044 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.342 -4.261 5.290 1.00 0.00 H new ATOM 0 HG LEU A 43 88.707 -4.301 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.314 -2.114 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.728 -2.077 6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 43 89.957 -2.159 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 43 87.696 -4.184 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.314 -4.308 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.658 -5.666 4.763 1.00 0.00 H new ATOM 717 N LYS A 44 92.959 -6.658 5.380 1.00 0.00 N ATOM 718 CA LYS A 44 94.366 -7.034 5.359 1.00 0.00 C ATOM 719 C LYS A 44 95.217 -5.810 5.053 1.00 0.00 C ATOM 720 O LYS A 44 94.803 -4.940 4.288 1.00 0.00 O ATOM 721 CB LYS A 44 94.613 -8.104 4.294 1.00 0.00 C ATOM 722 CG LYS A 44 93.772 -9.358 4.466 1.00 0.00 C ATOM 723 CD LYS A 44 93.952 -10.295 3.284 1.00 0.00 C ATOM 724 CE LYS A 44 93.138 -11.567 3.440 1.00 0.00 C ATOM 725 NZ LYS A 44 93.609 -12.398 4.576 1.00 0.00 N ATOM 0 H LYS A 44 92.542 -6.556 4.455 1.00 0.00 H new ATOM 0 HA LYS A 44 94.637 -7.435 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.412 -7.677 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.667 -8.381 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 44 94.056 -9.868 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.721 -9.086 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 44 93.655 -9.784 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.007 -10.550 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 44 92.090 -11.309 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 44 93.194 -12.148 2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 93.143 -13.327 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 94.639 -12.525 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 93.376 -11.925 5.472 1.00 0.00 H new ATOM 739 N THR A 45 96.396 -5.742 5.641 1.00 0.00 N ATOM 740 CA THR A 45 97.275 -4.605 5.436 1.00 0.00 C ATOM 741 C THR A 45 98.669 -5.053 5.009 1.00 0.00 C ATOM 742 O THR A 45 99.208 -6.032 5.532 1.00 0.00 O ATOM 743 CB THR A 45 97.373 -3.740 6.707 1.00 0.00 C ATOM 744 OG1 THR A 45 97.667 -4.559 7.845 1.00 0.00 O ATOM 745 CG2 THR A 45 96.079 -2.978 6.950 1.00 0.00 C ATOM 0 H THR A 45 96.768 -6.459 6.264 1.00 0.00 H new ATOM 0 HA THR A 45 96.841 -4.004 4.636 1.00 0.00 H new ATOM 0 HB THR A 45 98.179 -3.021 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.728 -3.997 8.645 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.176 -2.376 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.875 -2.327 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.258 -3.685 7.071 1.00 0.00 H new ATOM 753 N TYR A 46 99.242 -4.336 4.052 1.00 0.00 N ATOM 754 CA TYR A 46 100.578 -4.638 3.562 1.00 0.00 C ATOM 755 C TYR A 46 101.393 -3.354 3.455 1.00 0.00 C ATOM 756 O TYR A 46 100.844 -2.286 3.180 1.00 0.00 O ATOM 757 CB TYR A 46 100.508 -5.345 2.199 1.00 0.00 C ATOM 758 CG TYR A 46 100.022 -4.468 1.060 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.696 -4.064 0.975 1.00 0.00 C ATOM 760 CD2 TYR A 46 100.898 -4.048 0.067 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.258 -3.265 -0.065 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.466 -3.250 -0.976 1.00 0.00 C ATOM 763 CZ TYR A 46 99.147 -2.860 -1.037 1.00 0.00 C ATOM 764 OH TYR A 46 98.718 -2.062 -2.074 1.00 0.00 O ATOM 0 H TYR A 46 98.799 -3.537 3.598 1.00 0.00 H new ATOM 0 HA TYR A 46 101.067 -5.309 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.498 -5.726 1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.847 -6.207 2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 46 97.995 -4.379 1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 46 101.934 -4.350 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.223 -2.960 -0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.161 -2.934 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 46 99.471 -1.867 -2.670 1.00 0.00 H new ATOM 774 N VAL A 47 102.689 -3.454 3.693 1.00 0.00 N ATOM 775 CA VAL A 47 103.567 -2.294 3.633 1.00 0.00 C ATOM 776 C VAL A 47 104.458 -2.357 2.397 1.00 0.00 C ATOM 777 O VAL A 47 105.277 -3.264 2.258 1.00 0.00 O ATOM 778 CB VAL A 47 104.457 -2.195 4.892 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.287 -0.920 4.866 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.613 -2.260 6.156 1.00 0.00 C ATOM 0 H VAL A 47 103.159 -4.327 3.930 1.00 0.00 H new ATOM 0 HA VAL A 47 102.931 -1.410 3.581 1.00 0.00 H new ATOM 0 HB VAL A 47 105.138 -3.046 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 47 105.906 -0.871 5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 47 105.926 -0.920 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.624 -0.055 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.260 -2.188 7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 47 102.903 -1.433 6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.070 -3.205 6.183 1.00 0.00 H new ATOM 790 N ILE A 48 104.285 -1.402 1.498 1.00 0.00 N ATOM 791 CA ILE A 48 105.141 -1.304 0.322 1.00 0.00 C ATOM 792 C ILE A 48 106.093 -0.127 0.457 1.00 0.00 C ATOM 793 O ILE A 48 105.712 0.940 0.942 1.00 0.00 O ATOM 794 CB ILE A 48 104.334 -1.165 -0.987 1.00 0.00 C ATOM 795 CG1 ILE A 48 103.213 -0.129 -0.831 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.777 -2.515 -1.409 1.00 0.00 C ATOM 797 CD1 ILE A 48 102.420 0.112 -2.099 1.00 0.00 C ATOM 0 H ILE A 48 103.562 -0.684 1.557 1.00 0.00 H new ATOM 0 HA ILE A 48 105.705 -2.235 0.266 1.00 0.00 H new ATOM 0 HB ILE A 48 105.004 -0.812 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 48 102.533 -0.459 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 48 103.647 0.815 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 48 103.210 -2.402 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 48 104.598 -3.213 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.122 -2.899 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 48 101.647 0.856 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.087 0.474 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 48 101.955 -0.820 -2.420 1.00 0.00 H new ATOM 809 N GLU A 49 107.330 -0.328 0.033 1.00 0.00 N ATOM 810 CA GLU A 49 108.355 0.694 0.152 1.00 0.00 C ATOM 811 C GLU A 49 108.835 1.121 -1.227 1.00 0.00 C ATOM 812 O GLU A 49 109.794 0.559 -1.757 1.00 0.00 O ATOM 813 CB GLU A 49 109.538 0.159 0.960 1.00 0.00 C ATOM 814 CG GLU A 49 109.135 -0.517 2.257 1.00 0.00 C ATOM 815 CD GLU A 49 110.296 -1.222 2.920 1.00 0.00 C ATOM 816 OE1 GLU A 49 110.725 -2.280 2.408 1.00 0.00 O ATOM 817 OE2 GLU A 49 110.791 -0.722 3.948 1.00 0.00 O ATOM 0 H GLU A 49 107.649 -1.195 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 49 107.928 1.556 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 49 110.093 -0.551 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.215 0.983 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 108.726 0.227 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.341 -1.237 2.058 1.00 0.00 H new ATOM 1177 N LYS A 72 108.040 3.562 3.804 1.00 0.00 N ATOM 1178 CA LYS A 72 107.119 2.508 4.192 1.00 0.00 C ATOM 1179 C LYS A 72 105.678 2.993 4.124 1.00 0.00 C ATOM 1180 O LYS A 72 105.183 3.657 5.038 1.00 0.00 O ATOM 1181 CB LYS A 72 107.449 2.005 5.599 1.00 0.00 C ATOM 1182 CG LYS A 72 108.894 1.559 5.756 1.00 0.00 C ATOM 1183 CD LYS A 72 109.171 1.049 7.159 1.00 0.00 C ATOM 1184 CE LYS A 72 110.657 0.823 7.387 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.222 -0.201 6.469 1.00 0.00 N ATOM 0 HA LYS A 72 107.231 1.682 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.241 2.797 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.790 1.171 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.114 0.774 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.559 2.393 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 72 108.795 1.766 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 72 108.631 0.116 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.190 1.764 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 72 110.820 0.512 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.258 -0.211 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 110.844 -1.137 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 110.959 0.028 5.489 1.00 0.00 H new ATOM 1199 N ILE A 73 105.018 2.676 3.024 1.00 0.00 N ATOM 1200 CA ILE A 73 103.625 3.033 2.841 1.00 0.00 C ATOM 1201 C ILE A 73 102.741 1.817 3.065 1.00 0.00 C ATOM 1202 O ILE A 73 102.738 0.875 2.268 1.00 0.00 O ATOM 1203 CB ILE A 73 103.366 3.623 1.438 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.197 4.894 1.242 1.00 0.00 C ATOM 1205 CG2 ILE A 73 101.881 3.918 1.248 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.034 5.527 -0.123 1.00 0.00 C ATOM 0 H ILE A 73 105.429 2.169 2.240 1.00 0.00 H new ATOM 0 HA ILE A 73 103.380 3.801 3.575 1.00 0.00 H new ATOM 0 HB ILE A 73 103.666 2.891 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 73 103.917 5.621 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.249 4.656 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.717 4.333 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.310 2.996 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.554 4.636 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.653 6.422 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.342 4.818 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 73 102.989 5.798 -0.276 1.00 0.00 H new ATOM 1218 N LYS A 74 102.013 1.833 4.166 1.00 0.00 N ATOM 1219 CA LYS A 74 101.128 0.737 4.516 1.00 0.00 C ATOM 1220 C LYS A 74 99.754 0.968 3.902 1.00 0.00 C ATOM 1221 O LYS A 74 99.175 2.043 4.052 1.00 0.00 O ATOM 1222 CB LYS A 74 101.031 0.618 6.041 1.00 0.00 C ATOM 1223 CG LYS A 74 100.225 -0.574 6.529 1.00 0.00 C ATOM 1224 CD LYS A 74 100.387 -0.762 8.030 1.00 0.00 C ATOM 1225 CE LYS A 74 99.628 -1.980 8.528 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.961 -2.299 9.940 1.00 0.00 N ATOM 0 H LYS A 74 102.018 2.600 4.839 1.00 0.00 H new ATOM 0 HA LYS A 74 101.529 -0.197 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.038 0.553 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.583 1.530 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.172 -0.429 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.550 -1.475 6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.445 -0.868 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 74 100.029 0.127 8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.556 -1.802 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 74 99.862 -2.837 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.423 -3.136 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 100.979 -2.494 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.714 -1.491 10.546 1.00 0.00 H new ATOM 1240 N LYS A 75 99.250 -0.025 3.184 1.00 0.00 N ATOM 1241 CA LYS A 75 97.940 0.080 2.561 1.00 0.00 C ATOM 1242 C LYS A 75 97.047 -1.074 2.995 1.00 0.00 C ATOM 1243 O LYS A 75 97.527 -2.069 3.541 1.00 0.00 O ATOM 1244 CB LYS A 75 98.060 0.132 1.037 1.00 0.00 C ATOM 1245 CG LYS A 75 98.912 1.291 0.546 1.00 0.00 C ATOM 1246 CD LYS A 75 98.686 1.577 -0.928 1.00 0.00 C ATOM 1247 CE LYS A 75 99.509 2.771 -1.381 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.002 3.350 -2.652 1.00 0.00 N ATOM 0 H LYS A 75 99.728 -0.911 3.019 1.00 0.00 H new ATOM 0 HA LYS A 75 97.481 1.011 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.490 -0.804 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.064 0.211 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.681 2.183 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 75 99.965 1.064 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 75 98.954 0.701 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 75 97.628 1.770 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 75 99.496 3.536 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 75 100.548 2.467 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 99.593 4.162 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 99.039 2.629 -3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 98.019 3.665 -2.522 1.00 0.00 H new ATOM 1262 N VAL A 76 95.753 -0.937 2.747 1.00 0.00 N ATOM 1263 CA VAL A 76 94.774 -1.898 3.229 1.00 0.00 C ATOM 1264 C VAL A 76 93.917 -2.424 2.079 1.00 0.00 C ATOM 1265 O VAL A 76 93.582 -1.681 1.155 1.00 0.00 O ATOM 1266 CB VAL A 76 93.879 -1.263 4.320 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.129 -0.051 3.784 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.908 -2.281 4.891 1.00 0.00 C ATOM 0 H VAL A 76 95.356 -0.165 2.212 1.00 0.00 H new ATOM 0 HA VAL A 76 95.313 -2.738 3.667 1.00 0.00 H new ATOM 0 HB VAL A 76 94.533 -0.926 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.509 0.372 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.844 0.698 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.496 -0.354 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.292 -1.807 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.269 -2.661 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.465 -3.106 5.334 1.00 0.00 H new ATOM 1278 N TYR A 77 93.591 -3.709 2.122 1.00 0.00 N ATOM 1279 CA TYR A 77 92.773 -4.316 1.084 1.00 0.00 C ATOM 1280 C TYR A 77 92.045 -5.549 1.612 1.00 0.00 C ATOM 1281 O TYR A 77 92.340 -6.037 2.704 1.00 0.00 O ATOM 1282 CB TYR A 77 93.641 -4.698 -0.120 1.00 0.00 C ATOM 1283 CG TYR A 77 94.542 -5.895 0.097 1.00 0.00 C ATOM 1284 CD1 TYR A 77 95.665 -5.816 0.911 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.272 -7.106 -0.530 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.493 -6.908 1.093 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.092 -8.200 -0.350 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.200 -8.096 0.461 1.00 0.00 C ATOM 1289 OH TYR A 77 97.023 -9.184 0.629 1.00 0.00 O ATOM 0 H TYR A 77 93.880 -4.348 2.862 1.00 0.00 H new ATOM 0 HA TYR A 77 92.028 -3.585 0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 77 92.989 -4.902 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.258 -3.841 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 77 95.895 -4.886 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.405 -7.191 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.364 -6.830 1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.866 -9.134 -0.843 1.00 0.00 H new ATOM 0 HH TYR A 77 96.673 -9.942 0.115 1.00 0.00 H new ATOM 1299 N PHE A 78 91.093 -6.042 0.834 1.00 0.00 N ATOM 1300 CA PHE A 78 90.445 -7.310 1.132 1.00 0.00 C ATOM 1301 C PHE A 78 90.340 -8.137 -0.142 1.00 0.00 C ATOM 1302 O PHE A 78 90.386 -7.592 -1.249 1.00 0.00 O ATOM 1303 CB PHE A 78 89.059 -7.105 1.768 1.00 0.00 C ATOM 1304 CG PHE A 78 88.022 -6.504 0.857 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.864 -5.130 0.772 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.192 -7.317 0.098 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.902 -4.578 -0.052 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.230 -6.770 -0.729 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.085 -5.399 -0.803 1.00 0.00 C ATOM 0 H PHE A 78 90.752 -5.582 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 78 91.053 -7.846 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.693 -8.068 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.169 -6.463 2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.501 -4.483 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.299 -8.390 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 78 86.789 -3.505 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.592 -7.414 -1.317 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.333 -4.969 -1.448 1.00 0.00 H new ATOM 1319 N GLU A 79 90.211 -9.444 0.016 1.00 0.00 N ATOM 1320 CA GLU A 79 90.175 -10.353 -1.120 1.00 0.00 C ATOM 1321 C GLU A 79 88.760 -10.871 -1.340 1.00 0.00 C ATOM 1322 O GLU A 79 88.091 -11.290 -0.394 1.00 0.00 O ATOM 1323 CB GLU A 79 91.118 -11.536 -0.885 1.00 0.00 C ATOM 1324 CG GLU A 79 92.529 -11.134 -0.490 1.00 0.00 C ATOM 1325 CD GLU A 79 93.412 -12.329 -0.198 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.072 -13.116 0.710 1.00 0.00 O ATOM 1327 OE2 GLU A 79 94.455 -12.484 -0.872 1.00 0.00 O ATOM 0 H GLU A 79 90.129 -9.902 0.924 1.00 0.00 H new ATOM 0 HA GLU A 79 90.499 -9.806 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.700 -12.171 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 79 91.163 -12.137 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.974 -10.545 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.488 -10.493 0.391 1.00 0.00 H new ATOM 1334 N THR A 80 88.307 -10.832 -2.582 1.00 0.00 N ATOM 1335 CA THR A 80 87.007 -11.377 -2.932 1.00 0.00 C ATOM 1336 C THR A 80 87.124 -12.875 -3.189 1.00 0.00 C ATOM 1337 O THR A 80 88.230 -13.403 -3.329 1.00 0.00 O ATOM 1338 CB THR A 80 86.434 -10.692 -4.189 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.348 -10.843 -5.281 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.176 -9.211 -3.936 1.00 0.00 C ATOM 0 H THR A 80 88.821 -10.428 -3.365 1.00 0.00 H new ATOM 0 HA THR A 80 86.332 -11.193 -2.096 1.00 0.00 H new ATOM 0 HB THR A 80 85.485 -11.168 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.901 -10.599 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.772 -8.753 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.460 -9.100 -3.121 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.111 -8.720 -3.667 1.00 0.00 H new ATOM 1348 N LEU A 81 85.990 -13.560 -3.257 1.00 0.00 N ATOM 1349 CA LEU A 81 85.980 -14.991 -3.541 1.00 0.00 C ATOM 1350 C LEU A 81 86.440 -15.255 -4.972 1.00 0.00 C ATOM 1351 O LEU A 81 86.884 -16.353 -5.300 1.00 0.00 O ATOM 1352 CB LEU A 81 84.584 -15.587 -3.325 1.00 0.00 C ATOM 1353 CG LEU A 81 83.479 -15.043 -4.237 1.00 0.00 C ATOM 1354 CD1 LEU A 81 82.528 -16.161 -4.629 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.714 -13.922 -3.548 1.00 0.00 C ATOM 0 H LEU A 81 85.066 -13.150 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 81 86.672 -15.472 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.645 -16.666 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.292 -15.414 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 81 83.943 -14.639 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 81 81.747 -15.764 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.079 -16.938 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.075 -16.585 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 81 81.935 -13.551 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 81 82.259 -14.301 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.399 -13.110 -3.304 1.00 0.00 H new ATOM 1367 N ASP A 82 86.336 -14.232 -5.810 1.00 0.00 N ATOM 1368 CA ASP A 82 86.759 -14.319 -7.206 1.00 0.00 C ATOM 1369 C ASP A 82 88.222 -13.897 -7.366 1.00 0.00 C ATOM 1370 O ASP A 82 88.676 -13.602 -8.472 1.00 0.00 O ATOM 1371 CB ASP A 82 85.841 -13.468 -8.096 1.00 0.00 C ATOM 1372 CG ASP A 82 85.508 -12.125 -7.481 1.00 0.00 C ATOM 1373 OD1 ASP A 82 86.297 -11.177 -7.641 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.454 -12.014 -6.821 1.00 0.00 O ATOM 0 H ASP A 82 85.958 -13.322 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 82 86.679 -15.359 -7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 82 86.322 -13.311 -9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 82 84.917 -14.015 -8.285 1.00 0.00 H new ATOM 1379 N ASN A 83 88.943 -13.873 -6.240 1.00 0.00 N ATOM 1380 CA ASN A 83 90.404 -13.685 -6.222 1.00 0.00 C ATOM 1381 C ASN A 83 90.811 -12.259 -6.610 1.00 0.00 C ATOM 1382 O ASN A 83 91.956 -12.007 -6.993 1.00 0.00 O ATOM 1383 CB ASN A 83 91.090 -14.706 -7.148 1.00 0.00 C ATOM 1384 CG ASN A 83 92.594 -14.789 -6.933 1.00 0.00 C ATOM 1385 OD1 ASN A 83 93.092 -14.604 -5.821 1.00 0.00 O ATOM 1386 ND2 ASN A 83 93.329 -15.056 -8.002 1.00 0.00 N ATOM 0 H ASN A 83 88.533 -13.983 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 83 90.736 -13.850 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 83 90.650 -15.690 -6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 83 90.891 -14.438 -8.186 1.00 0.00 H new ATOM 0 HD21 ASN A 83 94.344 -15.115 -7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 83 92.880 -15.203 -8.906 1.00 0.00 H new ATOM 1393 N VAL A 84 89.889 -11.319 -6.490 1.00 0.00 N ATOM 1394 CA VAL A 84 90.200 -9.926 -6.768 1.00 0.00 C ATOM 1395 C VAL A 84 90.453 -9.172 -5.465 1.00 0.00 C ATOM 1396 O VAL A 84 89.706 -9.305 -4.495 1.00 0.00 O ATOM 1397 CB VAL A 84 89.083 -9.233 -7.580 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.385 -7.754 -7.774 1.00 0.00 C ATOM 1399 CG2 VAL A 84 88.910 -9.916 -8.929 1.00 0.00 C ATOM 0 H VAL A 84 88.925 -11.492 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 84 91.104 -9.908 -7.377 1.00 0.00 H new ATOM 0 HB VAL A 84 88.153 -9.319 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.583 -7.291 -8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.462 -7.268 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.327 -7.642 -8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.120 -9.418 -9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 84 89.844 -9.859 -9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.642 -10.961 -8.776 1.00 0.00 H new ATOM 1409 N ARG A 85 91.524 -8.402 -5.448 1.00 0.00 N ATOM 1410 CA ARG A 85 91.935 -7.677 -4.260 1.00 0.00 C ATOM 1411 C ARG A 85 91.540 -6.211 -4.369 1.00 0.00 C ATOM 1412 O ARG A 85 92.025 -5.497 -5.242 1.00 0.00 O ATOM 1413 CB ARG A 85 93.449 -7.798 -4.098 1.00 0.00 C ATOM 1414 CG ARG A 85 93.941 -9.236 -4.056 1.00 0.00 C ATOM 1415 CD ARG A 85 95.397 -9.337 -4.475 1.00 0.00 C ATOM 1416 NE ARG A 85 95.591 -8.944 -5.873 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.764 -8.994 -6.510 1.00 0.00 C ATOM 1418 NH1 ARG A 85 97.845 -9.449 -5.891 1.00 0.00 N ATOM 1419 NH2 ARG A 85 96.856 -8.600 -7.774 1.00 0.00 N ATOM 0 H ARG A 85 92.132 -8.261 -6.254 1.00 0.00 H new ATOM 0 HA ARG A 85 91.437 -8.104 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 85 93.937 -7.279 -4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.750 -7.292 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.823 -9.633 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.328 -9.851 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.005 -8.701 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.745 -10.360 -4.334 1.00 0.00 H new ATOM 0 HE ARG A 85 94.779 -8.611 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.784 -9.763 -4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.738 -9.485 -6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.029 -8.257 -8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.754 -8.640 -8.257 1.00 0.00 H new ATOM 1433 N VAL A 86 90.650 -5.764 -3.500 1.00 0.00 N ATOM 1434 CA VAL A 86 90.239 -4.366 -3.491 1.00 0.00 C ATOM 1435 C VAL A 86 91.120 -3.581 -2.530 1.00 0.00 C ATOM 1436 O VAL A 86 91.015 -3.736 -1.315 1.00 0.00 O ATOM 1437 CB VAL A 86 88.757 -4.209 -3.097 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.320 -2.755 -3.192 1.00 0.00 C ATOM 1439 CG2 VAL A 86 87.880 -5.090 -3.974 1.00 0.00 C ATOM 0 H VAL A 86 90.198 -6.344 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 86 90.354 -3.974 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 86 88.644 -4.527 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.271 -2.671 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 86 88.927 -2.148 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.449 -2.402 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 86 86.836 -4.968 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.002 -4.801 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.172 -6.133 -3.850 1.00 0.00 H new ATOM 1449 N VAL A 87 91.989 -2.745 -3.085 1.00 0.00 N ATOM 1450 CA VAL A 87 93.034 -2.088 -2.312 1.00 0.00 C ATOM 1451 C VAL A 87 92.793 -0.584 -2.209 1.00 0.00 C ATOM 1452 O VAL A 87 92.319 0.050 -3.155 1.00 0.00 O ATOM 1453 CB VAL A 87 94.424 -2.318 -2.945 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.527 -1.842 -2.015 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.624 -3.782 -3.310 1.00 0.00 C ATOM 0 H VAL A 87 91.989 -2.505 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 87 93.006 -2.528 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 87 94.474 -1.732 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.497 -2.014 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.403 -0.777 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.474 -2.393 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.611 -3.915 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.544 -4.395 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 87 93.860 -4.086 -4.026 1.00 0.00 H new ATOM 1465 N THR A 88 93.118 -0.022 -1.054 1.00 0.00 N ATOM 1466 CA THR A 88 93.021 1.409 -0.832 1.00 0.00 C ATOM 1467 C THR A 88 94.068 1.849 0.196 1.00 0.00 C ATOM 1468 O THR A 88 94.529 1.045 1.009 1.00 0.00 O ATOM 1469 CB THR A 88 91.599 1.789 -0.369 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.660 1.393 -1.374 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.462 3.284 -0.115 1.00 0.00 C ATOM 0 H THR A 88 93.456 -0.546 -0.247 1.00 0.00 H new ATOM 0 HA THR A 88 93.217 1.928 -1.770 1.00 0.00 H new ATOM 0 HB THR A 88 91.402 1.273 0.571 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.001 0.782 -0.983 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.445 3.506 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.165 3.587 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.678 3.830 -1.033 1.00 0.00 H new ATOM 1479 N ASP A 89 94.468 3.111 0.131 1.00 0.00 N ATOM 1480 CA ASP A 89 95.500 3.639 1.015 1.00 0.00 C ATOM 1481 C ASP A 89 95.041 3.676 2.471 1.00 0.00 C ATOM 1482 O ASP A 89 94.067 4.345 2.830 1.00 0.00 O ATOM 1483 CB ASP A 89 95.949 5.019 0.540 1.00 0.00 C ATOM 1484 CG ASP A 89 96.923 4.923 -0.619 1.00 0.00 C ATOM 1485 OD1 ASP A 89 96.544 4.392 -1.690 1.00 0.00 O ATOM 1486 OD2 ASP A 89 98.082 5.356 -0.455 1.00 0.00 O ATOM 0 H ASP A 89 94.092 3.792 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 89 96.354 2.963 0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 89 95.078 5.601 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 89 96.418 5.554 1.366 1.00 0.00 H new ATOM 1491 N TYR A 90 95.790 2.959 3.299 1.00 0.00 N ATOM 1492 CA TYR A 90 95.455 2.735 4.703 1.00 0.00 C ATOM 1493 C TYR A 90 95.497 4.031 5.509 1.00 0.00 C ATOM 1494 O TYR A 90 94.652 4.254 6.375 1.00 0.00 O ATOM 1495 CB TYR A 90 96.443 1.708 5.265 1.00 0.00 C ATOM 1496 CG TYR A 90 96.277 1.348 6.725 1.00 0.00 C ATOM 1497 CD1 TYR A 90 95.202 0.586 7.159 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.229 1.733 7.660 1.00 0.00 C ATOM 1499 CE1 TYR A 90 95.079 0.221 8.486 1.00 0.00 C ATOM 1500 CE2 TYR A 90 97.109 1.380 8.989 1.00 0.00 C ATOM 1501 CZ TYR A 90 96.033 0.623 9.397 1.00 0.00 C ATOM 1502 OH TYR A 90 95.918 0.252 10.716 1.00 0.00 O ATOM 0 H TYR A 90 96.660 2.510 3.012 1.00 0.00 H new ATOM 0 HA TYR A 90 94.434 2.360 4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.360 0.795 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.453 2.090 5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.450 0.274 6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 90 98.078 2.319 7.342 1.00 0.00 H new ATOM 0 HE1 TYR A 90 94.239 -0.377 8.808 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.854 1.695 9.704 1.00 0.00 H new ATOM 0 HH TYR A 90 96.672 0.616 11.225 1.00 0.00 H new ATOM 1512 N SER A 91 96.469 4.883 5.201 1.00 0.00 N ATOM 1513 CA SER A 91 96.668 6.136 5.926 1.00 0.00 C ATOM 1514 C SER A 91 95.393 6.985 5.947 1.00 0.00 C ATOM 1515 O SER A 91 94.877 7.331 7.017 1.00 0.00 O ATOM 1516 CB SER A 91 97.818 6.924 5.283 1.00 0.00 C ATOM 1517 OG SER A 91 98.067 8.141 5.967 1.00 0.00 O ATOM 0 H SER A 91 97.138 4.728 4.447 1.00 0.00 H new ATOM 0 HA SER A 91 96.919 5.895 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 91 98.722 6.315 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 91 97.577 7.135 4.241 1.00 0.00 H new ATOM 0 HG SER A 91 98.806 8.616 5.532 1.00 0.00 H new ATOM 1523 N GLU A 92 94.872 7.295 4.766 1.00 0.00 N ATOM 1524 CA GLU A 92 93.719 8.176 4.646 1.00 0.00 C ATOM 1525 C GLU A 92 92.450 7.479 5.139 1.00 0.00 C ATOM 1526 O GLU A 92 91.572 8.111 5.732 1.00 0.00 O ATOM 1527 CB GLU A 92 93.558 8.623 3.189 1.00 0.00 C ATOM 1528 CG GLU A 92 92.633 9.816 3.004 1.00 0.00 C ATOM 1529 CD GLU A 92 93.110 11.044 3.752 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.303 11.392 3.637 1.00 0.00 O ATOM 1531 OE2 GLU A 92 92.297 11.656 4.474 1.00 0.00 O ATOM 0 H GLU A 92 95.231 6.948 3.877 1.00 0.00 H new ATOM 0 HA GLU A 92 93.882 9.055 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.540 8.872 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.176 7.787 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 92 92.555 10.049 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 92 91.633 9.552 3.347 1.00 0.00 H new ATOM 1538 N PHE A 93 92.373 6.171 4.910 1.00 0.00 N ATOM 1539 CA PHE A 93 91.227 5.382 5.349 1.00 0.00 C ATOM 1540 C PHE A 93 91.127 5.373 6.877 1.00 0.00 C ATOM 1541 O PHE A 93 90.039 5.518 7.442 1.00 0.00 O ATOM 1542 CB PHE A 93 91.336 3.952 4.812 1.00 0.00 C ATOM 1543 CG PHE A 93 90.183 3.068 5.196 1.00 0.00 C ATOM 1544 CD1 PHE A 93 88.937 3.243 4.615 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.346 2.063 6.136 1.00 0.00 C ATOM 1546 CE1 PHE A 93 87.876 2.432 4.967 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.288 1.248 6.490 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.051 1.433 5.905 1.00 0.00 C ATOM 0 H PHE A 93 93.091 5.635 4.423 1.00 0.00 H new ATOM 0 HA PHE A 93 90.320 5.839 4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.408 3.987 3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.261 3.506 5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.794 4.021 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.311 1.915 6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 93 86.909 2.579 4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.428 0.467 7.223 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.222 0.798 6.180 1.00 0.00 H new ATOM 1558 N GLN A 94 92.269 5.216 7.538 1.00 0.00 N ATOM 1559 CA GLN A 94 92.309 5.214 8.995 1.00 0.00 C ATOM 1560 C GLN A 94 91.926 6.570 9.559 1.00 0.00 C ATOM 1561 O GLN A 94 91.347 6.652 10.645 1.00 0.00 O ATOM 1562 CB GLN A 94 93.688 4.799 9.505 1.00 0.00 C ATOM 1563 CG GLN A 94 93.874 3.296 9.552 1.00 0.00 C ATOM 1564 CD GLN A 94 92.898 2.624 10.499 1.00 0.00 C ATOM 1565 OE1 GLN A 94 92.483 3.205 11.501 1.00 0.00 O ATOM 1566 NE2 GLN A 94 92.519 1.396 10.186 1.00 0.00 N ATOM 0 H GLN A 94 93.176 5.089 7.089 1.00 0.00 H new ATOM 0 HA GLN A 94 91.578 4.483 9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.453 5.234 8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.839 5.210 10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.746 2.885 8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.894 3.068 9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 94 92.885 0.948 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 94 91.860 0.897 10.784 1.00 0.00 H new ATOM 1575 N LYS A 95 92.242 7.634 8.829 1.00 0.00 N ATOM 1576 CA LYS A 95 91.817 8.969 9.230 1.00 0.00 C ATOM 1577 C LYS A 95 90.298 9.029 9.308 1.00 0.00 C ATOM 1578 O LYS A 95 89.742 9.553 10.265 1.00 0.00 O ATOM 1579 CB LYS A 95 92.303 10.031 8.250 1.00 0.00 C ATOM 1580 CG LYS A 95 93.807 10.099 8.080 1.00 0.00 C ATOM 1581 CD LYS A 95 94.170 11.181 7.084 1.00 0.00 C ATOM 1582 CE LYS A 95 95.632 11.138 6.687 1.00 0.00 C ATOM 1583 NZ LYS A 95 95.920 12.119 5.609 1.00 0.00 N ATOM 0 H LYS A 95 92.785 7.599 7.966 1.00 0.00 H new ATOM 0 HA LYS A 95 92.254 9.172 10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 95 91.850 9.842 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 95 91.945 11.005 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 95 94.280 10.304 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 95 94.186 9.136 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 95 93.552 11.072 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 95 93.942 12.157 7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 95 96.255 11.353 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 95 95.892 10.135 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 96.949 12.205 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 95.489 11.794 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 95.524 13.045 5.868 1.00 0.00 H new ATOM 1597 N ILE A 96 89.638 8.469 8.296 1.00 0.00 N ATOM 1598 CA ILE A 96 88.176 8.458 8.233 1.00 0.00 C ATOM 1599 C ILE A 96 87.585 7.815 9.485 1.00 0.00 C ATOM 1600 O ILE A 96 86.704 8.382 10.135 1.00 0.00 O ATOM 1601 CB ILE A 96 87.671 7.694 6.990 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.253 8.305 5.714 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.148 7.707 6.940 1.00 0.00 C ATOM 1604 CD1 ILE A 96 87.857 7.572 4.451 1.00 0.00 C ATOM 0 H ILE A 96 90.094 8.015 7.505 1.00 0.00 H new ATOM 0 HA ILE A 96 87.851 9.496 8.167 1.00 0.00 H new ATOM 0 HB ILE A 96 88.006 6.659 7.061 1.00 0.00 H new ATOM 0 HG12 ILE A 96 87.928 9.343 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.340 8.316 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 96 85.808 7.164 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 96 85.750 7.229 7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 96 85.794 8.737 6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.307 8.064 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.206 6.541 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 96 86.772 7.583 4.349 1.00 0.00 H new ATOM 1616 N LEU A 97 88.090 6.636 9.826 1.00 0.00 N ATOM 1617 CA LEU A 97 87.624 5.918 11.006 1.00 0.00 C ATOM 1618 C LEU A 97 87.939 6.708 12.275 1.00 0.00 C ATOM 1619 O LEU A 97 87.150 6.725 13.225 1.00 0.00 O ATOM 1620 CB LEU A 97 88.270 4.533 11.075 1.00 0.00 C ATOM 1621 CG LEU A 97 87.999 3.626 9.871 1.00 0.00 C ATOM 1622 CD1 LEU A 97 88.714 2.295 10.034 1.00 0.00 C ATOM 1623 CD2 LEU A 97 86.503 3.407 9.690 1.00 0.00 C ATOM 0 H LEU A 97 88.822 6.157 9.302 1.00 0.00 H new ATOM 0 HA LEU A 97 86.543 5.799 10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.348 4.657 11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 97 87.917 4.030 11.975 1.00 0.00 H new ATOM 0 HG LEU A 97 88.385 4.119 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 97 88.510 1.664 9.169 1.00 0.00 H new ATOM 0 HD12 LEU A 97 89.788 2.466 10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 97 88.358 1.799 10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 97 86.331 2.760 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.093 2.938 10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.012 4.366 9.526 1.00 0.00 H new ATOM 1635 N LYS A 98 89.090 7.372 12.269 1.00 0.00 N ATOM 1636 CA LYS A 98 89.532 8.173 13.403 1.00 0.00 C ATOM 1637 C LYS A 98 88.616 9.377 13.601 1.00 0.00 C ATOM 1638 O LYS A 98 88.249 9.707 14.729 1.00 0.00 O ATOM 1639 CB LYS A 98 90.973 8.639 13.185 1.00 0.00 C ATOM 1640 CG LYS A 98 91.597 9.311 14.396 1.00 0.00 C ATOM 1641 CD LYS A 98 92.981 9.853 14.074 1.00 0.00 C ATOM 1642 CE LYS A 98 93.648 10.460 15.298 1.00 0.00 C ATOM 1643 NZ LYS A 98 92.829 11.541 15.903 1.00 0.00 N ATOM 0 H LYS A 98 89.739 7.370 11.482 1.00 0.00 H new ATOM 0 HA LYS A 98 89.489 7.556 14.300 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.583 7.780 12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.996 9.334 12.345 1.00 0.00 H new ATOM 0 HG2 LYS A 98 90.955 10.124 14.734 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.665 8.596 15.216 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.604 9.049 13.682 1.00 0.00 H new ATOM 0 HD3 LYS A 98 92.903 10.607 13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 98 93.822 9.680 16.039 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.623 10.858 15.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 93.395 12.049 16.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 92.527 12.204 15.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 91.991 11.127 16.360 1.00 0.00 H new ATOM 1657 N LYS A 99 88.240 10.012 12.498 1.00 0.00 N ATOM 1658 CA LYS A 99 87.362 11.180 12.533 1.00 0.00 C ATOM 1659 C LYS A 99 85.985 10.805 13.070 1.00 0.00 C ATOM 1660 O LYS A 99 85.364 11.576 13.799 1.00 0.00 O ATOM 1661 CB LYS A 99 87.235 11.793 11.135 1.00 0.00 C ATOM 1662 CG LYS A 99 88.559 12.279 10.568 1.00 0.00 C ATOM 1663 CD LYS A 99 88.437 12.677 9.105 1.00 0.00 C ATOM 1664 CE LYS A 99 89.803 12.968 8.501 1.00 0.00 C ATOM 1665 NZ LYS A 99 89.716 13.360 7.070 1.00 0.00 N ATOM 0 H LYS A 99 88.531 9.737 11.560 1.00 0.00 H new ATOM 0 HA LYS A 99 87.803 11.919 13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 99 86.808 11.052 10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.536 12.629 11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 99 88.911 13.132 11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 99 89.308 11.493 10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.952 11.877 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 99 87.801 13.558 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 99 90.284 13.767 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 99 90.435 12.085 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 90.671 13.548 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 89.281 12.589 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 89.135 14.218 6.980 1.00 0.00 H new ATOM 1679 N ARG A 100 85.518 9.614 12.710 1.00 0.00 N ATOM 1680 CA ARG A 100 84.245 9.105 13.211 1.00 0.00 C ATOM 1681 C ARG A 100 84.312 8.818 14.707 1.00 0.00 C ATOM 1682 O ARG A 100 83.317 8.954 15.419 1.00 0.00 O ATOM 1683 CB ARG A 100 83.842 7.824 12.479 1.00 0.00 C ATOM 1684 CG ARG A 100 82.946 8.050 11.274 1.00 0.00 C ATOM 1685 CD ARG A 100 82.548 6.731 10.632 1.00 0.00 C ATOM 1686 NE ARG A 100 81.959 5.796 11.596 1.00 0.00 N ATOM 1687 CZ ARG A 100 81.567 4.551 11.300 1.00 0.00 C ATOM 1688 NH1 ARG A 100 81.628 4.100 10.057 1.00 0.00 N ATOM 1689 NH2 ARG A 100 81.099 3.759 12.257 1.00 0.00 N ATOM 0 H ARG A 100 86.002 8.982 12.072 1.00 0.00 H new ATOM 0 HA ARG A 100 83.499 9.879 13.029 1.00 0.00 H new ATOM 0 HB2 ARG A 100 84.744 7.305 12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 100 83.330 7.165 13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.052 8.594 11.579 1.00 0.00 H new ATOM 0 HG3 ARG A 100 83.464 8.672 10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 100 81.834 6.921 9.831 1.00 0.00 H new ATOM 0 HD3 ARG A 100 83.425 6.273 10.175 1.00 0.00 H new ATOM 0 HE ARG A 100 81.840 6.116 12.557 1.00 0.00 H new ATOM 0 HH11 ARG A 100 81.977 4.703 9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 100 81.326 3.149 9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 100 81.038 4.099 13.217 1.00 0.00 H new ATOM 0 HH22 ARG A 100 80.800 2.810 12.033 1.00 0.00 H new ATOM 1703 N GLY A 101 85.484 8.412 15.173 1.00 0.00 N ATOM 1704 CA GLY A 101 85.623 8.013 16.559 1.00 0.00 C ATOM 1705 C GLY A 101 85.102 6.609 16.770 1.00 0.00 C ATOM 1706 O GLY A 101 84.500 6.301 17.804 1.00 0.00 O ATOM 0 H GLY A 101 86.338 8.352 14.619 1.00 0.00 H new ATOM 0 HA2 GLY A 101 86.671 8.064 16.853 1.00 0.00 H new ATOM 0 HA3 GLY A 101 85.078 8.708 17.198 1.00 0.00 H new