USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 893 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 111 CYS SG : rot 102:sc= -0.393 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.121 K(o=-0.51,f=-2.6!) USER MOD Set 2.1: A 104 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0102) USER MOD Set 2.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.75) USER MOD Single : A 11 LYS NZ :NH3+ 132:sc= -1.62 (180deg=-4.51!) USER MOD Single : A 12 GLN : amide:sc= -2.98 X(o=-3,f=-2.7) USER MOD Single : A 15 GLN : amide:sc= -4.71! C(o=-4.7!,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.0264 USER MOD Single : A 20 ASN : amide:sc= -1.49 K(o=-1.5,f=-2) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.124 (180deg=-0.86) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -44:sc= 0.341 USER MOD Single : A 36 MET CE :methyl -160:sc= -3.38 (180deg=-3.89) USER MOD Single : A 37 GLN : amide:sc= -0.0564 K(o=-0.056,f=-3.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00569 USER MOD Single : A 44 ASN : amide:sc= -3.08 K(o=-3.1,f=-2.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 166:sc= -0.52 USER MOD Single : A 61 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.98) USER MOD Single : A 74 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.11) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.891 K(o=-0.89,f=-2.4) USER MOD Single : A 102 TYR OH : rot -20:sc= -0.351 USER MOD Single : A 103 MET CE :methyl 132:sc= -0.137 (180deg=-0.954) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.634 USER MOD Single : A 113 LYS NZ :NH3+ -135:sc= 0.338 (180deg=-0.188) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -119:sc= -0.846 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 123 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.924 -13.631 15.067 1.00 0.00 N ATOM 79 CA GLU A 8 111.387 -14.136 13.771 1.00 0.00 C ATOM 80 C GLU A 8 112.031 -13.345 12.629 1.00 0.00 C ATOM 81 O GLU A 8 112.395 -13.888 11.605 1.00 0.00 O ATOM 82 CB GLU A 8 109.867 -13.961 13.730 1.00 0.00 C ATOM 83 CG GLU A 8 109.335 -14.485 12.394 1.00 0.00 C ATOM 84 CD GLU A 8 107.810 -14.590 12.454 1.00 0.00 C ATOM 85 OE1 GLU A 8 107.321 -15.322 13.298 1.00 0.00 O ATOM 86 OE2 GLU A 8 107.158 -13.941 11.654 1.00 0.00 O ATOM 0 HA GLU A 8 111.619 -15.196 13.665 1.00 0.00 H new ATOM 0 HB2 GLU A 8 109.405 -14.501 14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.607 -12.909 13.851 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.632 -13.817 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.768 -15.461 12.176 1.00 0.00 H new ATOM 93 N GLN A 9 112.198 -12.068 12.803 1.00 0.00 N ATOM 94 CA GLN A 9 112.841 -11.259 11.736 1.00 0.00 C ATOM 95 C GLN A 9 114.277 -11.779 11.548 1.00 0.00 C ATOM 96 O GLN A 9 114.920 -11.574 10.531 1.00 0.00 O ATOM 97 CB GLN A 9 112.886 -9.794 12.168 1.00 0.00 C ATOM 98 CG GLN A 9 111.464 -9.243 12.275 1.00 0.00 C ATOM 99 CD GLN A 9 111.524 -7.777 12.708 1.00 0.00 C ATOM 100 OE1 GLN A 9 111.872 -7.477 13.833 1.00 0.00 O ATOM 101 NE2 GLN A 9 111.205 -6.843 11.854 1.00 0.00 N ATOM 0 H GLN A 9 111.918 -11.550 13.636 1.00 0.00 H new ATOM 0 HA GLN A 9 112.280 -11.340 10.805 1.00 0.00 H new ATOM 0 HB2 GLN A 9 113.394 -9.704 13.128 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.459 -9.210 11.448 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.954 -9.331 11.316 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.889 -9.824 12.996 1.00 0.00 H new ATOM 0 HE21 GLN A 9 110.913 -7.094 10.909 1.00 0.00 H new ATOM 0 HE22 GLN A 9 111.248 -5.862 12.131 1.00 0.00 H new ATOM 110 N PHE A 10 114.782 -12.430 12.557 1.00 0.00 N ATOM 111 CA PHE A 10 116.176 -12.956 12.520 1.00 0.00 C ATOM 112 C PHE A 10 116.303 -14.107 11.498 1.00 0.00 C ATOM 113 O PHE A 10 117.182 -14.105 10.663 1.00 0.00 O ATOM 114 CB PHE A 10 116.505 -13.478 13.931 1.00 0.00 C ATOM 115 CG PHE A 10 117.971 -13.286 14.269 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.969 -13.748 13.401 1.00 0.00 C ATOM 117 CD2 PHE A 10 118.326 -12.624 15.457 1.00 0.00 C ATOM 118 CE1 PHE A 10 120.319 -13.553 13.720 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.676 -12.428 15.773 1.00 0.00 C ATOM 120 CZ PHE A 10 120.672 -12.894 14.905 1.00 0.00 C ATOM 0 H PHE A 10 114.278 -12.624 13.423 1.00 0.00 H new ATOM 0 HA PHE A 10 116.866 -12.167 12.219 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.890 -12.957 14.665 1.00 0.00 H new ATOM 0 HB3 PHE A 10 116.251 -14.536 13.997 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.698 -14.254 12.486 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.557 -12.266 16.126 1.00 0.00 H new ATOM 0 HE1 PHE A 10 121.088 -13.911 13.052 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.949 -11.918 16.685 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.713 -12.745 15.150 1.00 0.00 H new ATOM 130 N LYS A 11 115.462 -15.108 11.576 1.00 0.00 N ATOM 131 CA LYS A 11 115.592 -16.255 10.622 1.00 0.00 C ATOM 132 C LYS A 11 115.442 -15.782 9.172 1.00 0.00 C ATOM 133 O LYS A 11 116.145 -16.245 8.296 1.00 0.00 O ATOM 134 CB LYS A 11 114.542 -17.336 10.938 1.00 0.00 C ATOM 135 CG LYS A 11 113.162 -16.909 10.422 1.00 0.00 C ATOM 136 CD LYS A 11 112.064 -17.815 11.000 1.00 0.00 C ATOM 137 CE LYS A 11 112.064 -19.176 10.293 1.00 0.00 C ATOM 138 NZ LYS A 11 113.214 -19.990 10.772 1.00 0.00 N ATOM 0 H LYS A 11 114.700 -15.182 12.250 1.00 0.00 H new ATOM 0 HA LYS A 11 116.587 -16.683 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.833 -18.280 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.498 -17.506 12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 11 112.969 -15.873 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.144 -16.956 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.224 -17.954 12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 11 111.091 -17.338 10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.128 -19.699 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.129 -19.036 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.885 -20.945 11.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.931 -20.053 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 113.631 -19.541 11.612 1.00 0.00 H new ATOM 152 N GLN A 12 114.540 -14.877 8.893 1.00 0.00 N ATOM 153 CA GLN A 12 114.401 -14.430 7.476 1.00 0.00 C ATOM 154 C GLN A 12 115.728 -13.817 7.014 1.00 0.00 C ATOM 155 O GLN A 12 116.053 -13.811 5.842 1.00 0.00 O ATOM 156 CB GLN A 12 113.253 -13.428 7.325 1.00 0.00 C ATOM 157 CG GLN A 12 113.382 -12.332 8.370 1.00 0.00 C ATOM 158 CD GLN A 12 112.215 -11.353 8.223 1.00 0.00 C ATOM 159 OE1 GLN A 12 111.120 -11.745 7.869 1.00 0.00 O ATOM 160 NE2 GLN A 12 112.401 -10.089 8.486 1.00 0.00 N ATOM 0 H GLN A 12 113.910 -14.438 9.564 1.00 0.00 H new ATOM 0 HA GLN A 12 114.163 -15.290 6.850 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.267 -12.993 6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 12 112.296 -13.938 7.437 1.00 0.00 H new ATOM 0 HG2 GLN A 12 113.384 -12.766 9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 12 114.330 -11.807 8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 12 113.320 -9.760 8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 12 111.628 -9.430 8.395 1.00 0.00 H new ATOM 169 N VAL A 13 116.520 -13.312 7.916 1.00 0.00 N ATOM 170 CA VAL A 13 117.828 -12.745 7.485 1.00 0.00 C ATOM 171 C VAL A 13 118.730 -13.897 7.037 1.00 0.00 C ATOM 172 O VAL A 13 119.458 -13.790 6.074 1.00 0.00 O ATOM 173 CB VAL A 13 118.491 -11.986 8.639 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.930 -11.611 8.266 1.00 0.00 C ATOM 175 CG2 VAL A 13 117.696 -10.716 8.931 1.00 0.00 C ATOM 0 H VAL A 13 116.325 -13.267 8.916 1.00 0.00 H new ATOM 0 HA VAL A 13 117.670 -12.046 6.664 1.00 0.00 H new ATOM 0 HB VAL A 13 118.507 -12.624 9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.392 -11.072 9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.500 -12.517 8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.923 -10.977 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 13 118.165 -10.174 9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 13 117.679 -10.085 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.676 -10.981 9.208 1.00 0.00 H new ATOM 185 N ARG A 14 118.700 -14.997 7.735 1.00 0.00 N ATOM 186 CA ARG A 14 119.571 -16.141 7.346 1.00 0.00 C ATOM 187 C ARG A 14 119.316 -16.510 5.885 1.00 0.00 C ATOM 188 O ARG A 14 120.242 -16.718 5.127 1.00 0.00 O ATOM 189 CB ARG A 14 119.255 -17.346 8.237 1.00 0.00 C ATOM 190 CG ARG A 14 119.479 -16.988 9.714 1.00 0.00 C ATOM 191 CD ARG A 14 120.975 -16.980 10.045 1.00 0.00 C ATOM 192 NE ARG A 14 121.151 -16.814 11.516 1.00 0.00 N ATOM 193 CZ ARG A 14 122.277 -16.360 11.995 1.00 0.00 C ATOM 194 NH1 ARG A 14 123.240 -16.011 11.185 1.00 0.00 N ATOM 195 NH2 ARG A 14 122.439 -16.252 13.286 1.00 0.00 N ATOM 0 H ARG A 14 118.113 -15.154 8.554 1.00 0.00 H new ATOM 0 HA ARG A 14 120.616 -15.857 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 14 118.222 -17.660 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 14 119.888 -18.189 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 14 119.049 -16.009 9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 14 118.964 -17.707 10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 14 121.438 -17.910 9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 14 121.473 -16.169 9.513 1.00 0.00 H new ATOM 0 HE ARG A 14 120.389 -17.056 12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 14 123.113 -16.093 10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 14 124.119 -15.656 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 14 121.686 -16.522 13.919 1.00 0.00 H new ATOM 0 HH22 ARG A 14 123.318 -15.897 13.662 1.00 0.00 H new ATOM 209 N GLN A 15 118.082 -16.599 5.466 1.00 0.00 N ATOM 210 CA GLN A 15 117.839 -16.959 4.044 1.00 0.00 C ATOM 211 C GLN A 15 118.438 -15.885 3.129 1.00 0.00 C ATOM 212 O GLN A 15 118.799 -16.170 2.007 1.00 0.00 O ATOM 213 CB GLN A 15 116.345 -17.145 3.757 1.00 0.00 C ATOM 214 CG GLN A 15 115.566 -15.950 4.260 1.00 0.00 C ATOM 215 CD GLN A 15 114.098 -16.080 3.843 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.783 -16.772 2.895 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.182 -15.439 4.516 1.00 0.00 N ATOM 0 H GLN A 15 117.250 -16.441 6.034 1.00 0.00 H new ATOM 0 HA GLN A 15 118.327 -17.913 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.185 -17.268 2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.984 -18.053 4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.642 -15.885 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.989 -15.031 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.446 -14.858 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.202 -15.519 4.246 1.00 0.00 H new ATOM 226 N LEU A 16 118.568 -14.653 3.583 1.00 0.00 N ATOM 227 CA LEU A 16 119.165 -13.613 2.684 1.00 0.00 C ATOM 228 C LEU A 16 120.587 -14.043 2.321 1.00 0.00 C ATOM 229 O LEU A 16 120.985 -14.019 1.174 1.00 0.00 O ATOM 230 CB LEU A 16 119.258 -12.264 3.405 1.00 0.00 C ATOM 231 CG LEU A 16 117.864 -11.754 3.795 1.00 0.00 C ATOM 232 CD1 LEU A 16 118.011 -10.470 4.625 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.041 -11.450 2.532 1.00 0.00 C ATOM 0 H LEU A 16 118.294 -14.333 4.512 1.00 0.00 H new ATOM 0 HA LEU A 16 118.536 -13.512 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.875 -12.366 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.749 -11.535 2.760 1.00 0.00 H new ATOM 0 HG LEU A 16 117.352 -12.519 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 16 117.024 -10.103 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.588 -10.683 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.526 -9.712 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.054 -11.089 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.549 -10.687 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 16 116.937 -12.358 1.938 1.00 0.00 H new ATOM 245 N TYR A 17 121.353 -14.438 3.297 1.00 0.00 N ATOM 246 CA TYR A 17 122.748 -14.877 3.024 1.00 0.00 C ATOM 247 C TYR A 17 122.729 -16.144 2.164 1.00 0.00 C ATOM 248 O TYR A 17 123.544 -16.319 1.281 1.00 0.00 O ATOM 249 CB TYR A 17 123.456 -15.178 4.352 1.00 0.00 C ATOM 250 CG TYR A 17 123.891 -13.890 5.012 1.00 0.00 C ATOM 251 CD1 TYR A 17 123.034 -13.227 5.900 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.161 -13.369 4.745 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.451 -12.041 6.518 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.576 -12.184 5.361 1.00 0.00 C ATOM 255 CZ TYR A 17 124.722 -11.520 6.250 1.00 0.00 C ATOM 256 OH TYR A 17 125.134 -10.353 6.860 1.00 0.00 O ATOM 0 H TYR A 17 121.072 -14.476 4.277 1.00 0.00 H new ATOM 0 HA TYR A 17 123.279 -14.086 2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.786 -15.727 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.322 -15.816 4.175 1.00 0.00 H new ATOM 0 HD1 TYR A 17 122.054 -13.630 6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.822 -13.882 4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.791 -11.528 7.202 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.556 -11.781 5.151 1.00 0.00 H new ATOM 0 HH TYR A 17 126.107 -10.369 6.973 1.00 0.00 H new ATOM 266 N GLU A 18 121.824 -17.042 2.440 1.00 0.00 N ATOM 267 CA GLU A 18 121.777 -18.319 1.664 1.00 0.00 C ATOM 268 C GLU A 18 121.264 -18.088 0.233 1.00 0.00 C ATOM 269 O GLU A 18 121.194 -19.011 -0.553 1.00 0.00 O ATOM 270 CB GLU A 18 120.856 -19.309 2.374 1.00 0.00 C ATOM 271 CG GLU A 18 121.392 -19.582 3.781 1.00 0.00 C ATOM 272 CD GLU A 18 120.475 -20.573 4.500 1.00 0.00 C ATOM 273 OE1 GLU A 18 119.503 -20.997 3.896 1.00 0.00 O ATOM 274 OE2 GLU A 18 120.762 -20.895 5.641 1.00 0.00 O ATOM 0 H GLU A 18 121.115 -16.950 3.167 1.00 0.00 H new ATOM 0 HA GLU A 18 122.790 -18.717 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.845 -18.906 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.798 -20.239 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 18 122.404 -19.984 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.451 -18.651 4.345 1.00 0.00 H new ATOM 281 N ILE A 19 120.904 -16.882 -0.126 1.00 0.00 N ATOM 282 CA ILE A 19 120.403 -16.657 -1.518 1.00 0.00 C ATOM 283 C ILE A 19 121.403 -17.252 -2.513 1.00 0.00 C ATOM 284 O ILE A 19 121.029 -17.776 -3.543 1.00 0.00 O ATOM 285 CB ILE A 19 120.239 -15.154 -1.780 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.062 -14.627 -0.959 1.00 0.00 C ATOM 287 CG2 ILE A 19 119.966 -14.911 -3.270 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.061 -13.097 -0.980 1.00 0.00 C ATOM 0 H ILE A 19 120.934 -16.056 0.472 1.00 0.00 H new ATOM 0 HA ILE A 19 119.434 -17.141 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 19 121.154 -14.636 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.124 -15.006 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.133 -14.986 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 19 119.851 -13.842 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 19 120.801 -15.290 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.052 -15.428 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.221 -12.726 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.993 -12.727 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 19 118.969 -12.747 -2.008 1.00 0.00 H new ATOM 300 N ASN A 20 122.667 -17.181 -2.209 1.00 0.00 N ATOM 301 CA ASN A 20 123.690 -17.747 -3.128 1.00 0.00 C ATOM 302 C ASN A 20 125.050 -17.711 -2.435 1.00 0.00 C ATOM 303 O ASN A 20 125.184 -17.203 -1.340 1.00 0.00 O ATOM 304 CB ASN A 20 123.746 -16.922 -4.417 1.00 0.00 C ATOM 305 CG ASN A 20 124.555 -17.678 -5.471 1.00 0.00 C ATOM 306 OD1 ASN A 20 124.328 -18.849 -5.706 1.00 0.00 O ATOM 307 ND2 ASN A 20 125.497 -17.054 -6.122 1.00 0.00 N ATOM 0 H ASN A 20 123.037 -16.754 -1.360 1.00 0.00 H new ATOM 0 HA ASN A 20 123.429 -18.775 -3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 20 122.737 -16.732 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.201 -15.951 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 20 126.043 -17.548 -6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 20 125.688 -16.072 -5.925 1.00 0.00 H new ATOM 314 N ASP A 21 126.059 -18.252 -3.057 1.00 0.00 N ATOM 315 CA ASP A 21 127.414 -18.257 -2.430 1.00 0.00 C ATOM 316 C ASP A 21 128.182 -17.009 -2.856 1.00 0.00 C ATOM 317 O ASP A 21 129.375 -16.912 -2.661 1.00 0.00 O ATOM 318 CB ASP A 21 128.179 -19.504 -2.877 1.00 0.00 C ATOM 319 CG ASP A 21 127.578 -20.739 -2.201 1.00 0.00 C ATOM 320 OD1 ASP A 21 127.040 -20.592 -1.116 1.00 0.00 O ATOM 321 OD2 ASP A 21 127.665 -21.809 -2.780 1.00 0.00 O ATOM 0 H ASP A 21 126.006 -18.693 -3.975 1.00 0.00 H new ATOM 0 HA ASP A 21 127.309 -18.264 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 21 128.126 -19.607 -3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 21 129.233 -19.410 -2.617 1.00 0.00 H new ATOM 326 N ASP A 22 127.510 -16.049 -3.432 1.00 0.00 N ATOM 327 CA ASP A 22 128.216 -14.809 -3.864 1.00 0.00 C ATOM 328 C ASP A 22 129.002 -14.237 -2.661 1.00 0.00 C ATOM 329 O ASP A 22 128.397 -13.795 -1.704 1.00 0.00 O ATOM 330 CB ASP A 22 127.177 -13.780 -4.320 1.00 0.00 C ATOM 331 CG ASP A 22 127.875 -12.659 -5.094 1.00 0.00 C ATOM 332 OD1 ASP A 22 129.068 -12.776 -5.318 1.00 0.00 O ATOM 333 OD2 ASP A 22 127.205 -11.705 -5.450 1.00 0.00 O ATOM 0 H ASP A 22 126.508 -16.069 -3.621 1.00 0.00 H new ATOM 0 HA ASP A 22 128.900 -15.032 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.427 -14.259 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.653 -13.369 -3.457 1.00 0.00 H new ATOM 338 N PRO A 23 130.330 -14.239 -2.672 1.00 0.00 N ATOM 339 CA PRO A 23 131.087 -13.698 -1.505 1.00 0.00 C ATOM 340 C PRO A 23 130.828 -12.200 -1.282 1.00 0.00 C ATOM 341 O PRO A 23 130.725 -11.740 -0.162 1.00 0.00 O ATOM 342 CB PRO A 23 132.560 -13.957 -1.893 1.00 0.00 C ATOM 343 CG PRO A 23 132.597 -14.631 -3.280 1.00 0.00 C ATOM 344 CD PRO A 23 131.154 -14.764 -3.803 1.00 0.00 C ATOM 0 HA PRO A 23 130.794 -14.168 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.115 -13.019 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.039 -14.595 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.197 -14.039 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.066 -15.613 -3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.001 -14.186 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 23 130.904 -15.799 -4.036 1.00 0.00 H new ATOM 352 N LYS A 24 130.739 -11.436 -2.335 1.00 0.00 N ATOM 353 CA LYS A 24 130.509 -9.975 -2.166 1.00 0.00 C ATOM 354 C LYS A 24 129.191 -9.733 -1.429 1.00 0.00 C ATOM 355 O LYS A 24 129.112 -8.901 -0.548 1.00 0.00 O ATOM 356 CB LYS A 24 130.454 -9.298 -3.536 1.00 0.00 C ATOM 357 CG LYS A 24 130.418 -7.781 -3.346 1.00 0.00 C ATOM 358 CD LYS A 24 130.363 -7.097 -4.711 1.00 0.00 C ATOM 359 CE LYS A 24 130.480 -5.584 -4.526 1.00 0.00 C ATOM 360 NZ LYS A 24 131.794 -5.261 -3.902 1.00 0.00 N ATOM 0 H LYS A 24 130.815 -11.758 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 24 131.329 -9.555 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 24 131.323 -9.582 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.571 -9.629 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 24 129.549 -7.499 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 24 131.301 -7.452 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 24 131.172 -7.461 -5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 24 129.428 -7.342 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 24 130.389 -5.081 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 24 129.667 -5.220 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 132.010 -4.255 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 131.752 -5.460 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 132.538 -5.843 -4.338 1.00 0.00 H new ATOM 374 N ARG A 25 128.154 -10.447 -1.776 1.00 0.00 N ATOM 375 CA ARG A 25 126.854 -10.232 -1.078 1.00 0.00 C ATOM 376 C ARG A 25 127.038 -10.516 0.412 1.00 0.00 C ATOM 377 O ARG A 25 126.523 -9.811 1.256 1.00 0.00 O ATOM 378 CB ARG A 25 125.784 -11.164 -1.652 1.00 0.00 C ATOM 379 CG ARG A 25 124.431 -10.825 -1.016 1.00 0.00 C ATOM 380 CD ARG A 25 123.336 -11.739 -1.578 1.00 0.00 C ATOM 381 NE ARG A 25 123.343 -13.037 -0.842 1.00 0.00 N ATOM 382 CZ ARG A 25 124.154 -13.993 -1.205 1.00 0.00 C ATOM 383 NH1 ARG A 25 124.214 -14.354 -2.455 1.00 0.00 N ATOM 384 NH2 ARG A 25 124.901 -14.587 -0.315 1.00 0.00 N ATOM 0 H ARG A 25 128.150 -11.162 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 25 126.532 -9.201 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.729 -11.052 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.044 -12.203 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.491 -10.941 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 25 124.180 -9.782 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 25 122.362 -11.259 -1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 25 123.502 -11.911 -2.641 1.00 0.00 H new ATOM 0 HE ARG A 25 122.712 -13.178 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 25 123.628 -13.890 -3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 25 124.847 -15.101 -2.740 1.00 0.00 H new ATOM 0 HH21 ARG A 25 124.851 -14.304 0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 25 125.535 -15.334 -0.598 1.00 0.00 H new ATOM 398 N LYS A 26 127.781 -11.537 0.742 1.00 0.00 N ATOM 399 CA LYS A 26 128.009 -11.854 2.177 1.00 0.00 C ATOM 400 C LYS A 26 128.687 -10.652 2.836 1.00 0.00 C ATOM 401 O LYS A 26 128.294 -10.202 3.895 1.00 0.00 O ATOM 402 CB LYS A 26 128.922 -13.080 2.286 1.00 0.00 C ATOM 403 CG LYS A 26 129.112 -13.463 3.755 1.00 0.00 C ATOM 404 CD LYS A 26 130.041 -14.680 3.847 1.00 0.00 C ATOM 405 CE LYS A 26 130.237 -15.087 5.314 1.00 0.00 C ATOM 406 NZ LYS A 26 131.535 -15.806 5.459 1.00 0.00 N ATOM 0 H LYS A 26 128.239 -12.163 0.080 1.00 0.00 H new ATOM 0 HA LYS A 26 127.062 -12.067 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.489 -13.916 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.888 -12.866 1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.536 -12.625 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.148 -13.692 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.619 -15.513 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 26 131.005 -14.446 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 26 130.224 -14.204 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.416 -15.727 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 131.670 -16.083 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 131.529 -16.657 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 132.313 -15.181 5.165 1.00 0.00 H new ATOM 420 N GLU A 27 129.704 -10.128 2.208 1.00 0.00 N ATOM 421 CA GLU A 27 130.418 -8.952 2.777 1.00 0.00 C ATOM 422 C GLU A 27 129.454 -7.767 2.898 1.00 0.00 C ATOM 423 O GLU A 27 129.411 -7.093 3.908 1.00 0.00 O ATOM 424 CB GLU A 27 131.580 -8.571 1.850 1.00 0.00 C ATOM 425 CG GLU A 27 132.424 -7.467 2.496 1.00 0.00 C ATOM 426 CD GLU A 27 133.143 -8.025 3.727 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.292 -9.234 3.803 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.527 -7.235 4.572 1.00 0.00 O ATOM 0 H GLU A 27 130.073 -10.467 1.319 1.00 0.00 H new ATOM 0 HA GLU A 27 130.801 -9.205 3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 27 132.200 -9.445 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.193 -8.230 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 27 133.151 -7.085 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 27 131.788 -6.629 2.782 1.00 0.00 H new ATOM 435 N PHE A 28 128.695 -7.492 1.868 1.00 0.00 N ATOM 436 CA PHE A 28 127.757 -6.337 1.922 1.00 0.00 C ATOM 437 C PHE A 28 126.739 -6.499 3.058 1.00 0.00 C ATOM 438 O PHE A 28 126.528 -5.594 3.841 1.00 0.00 O ATOM 439 CB PHE A 28 126.998 -6.251 0.600 1.00 0.00 C ATOM 440 CG PHE A 28 125.909 -5.211 0.725 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.676 -5.570 1.281 1.00 0.00 C ATOM 442 CD2 PHE A 28 126.143 -3.892 0.326 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.673 -4.610 1.434 1.00 0.00 C ATOM 444 CE2 PHE A 28 125.140 -2.928 0.485 1.00 0.00 C ATOM 445 CZ PHE A 28 123.905 -3.288 1.039 1.00 0.00 C ATOM 0 H PHE A 28 128.686 -8.018 0.994 1.00 0.00 H new ATOM 0 HA PHE A 28 128.339 -5.432 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.679 -5.987 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.566 -7.220 0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.500 -6.589 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 28 127.095 -3.617 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.719 -4.888 1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 28 125.319 -1.907 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.131 -2.545 1.161 1.00 0.00 H new ATOM 455 N LEU A 29 126.082 -7.623 3.140 1.00 0.00 N ATOM 456 CA LEU A 29 125.060 -7.790 4.209 1.00 0.00 C ATOM 457 C LEU A 29 125.735 -7.635 5.564 1.00 0.00 C ATOM 458 O LEU A 29 125.213 -7.005 6.461 1.00 0.00 O ATOM 459 CB LEU A 29 124.428 -9.183 4.111 1.00 0.00 C ATOM 460 CG LEU A 29 123.637 -9.326 2.799 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.380 -10.810 2.524 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.283 -8.610 2.900 1.00 0.00 C ATOM 0 H LEU A 29 126.207 -8.424 2.521 1.00 0.00 H new ATOM 0 HA LEU A 29 124.281 -7.036 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.205 -9.945 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.766 -9.349 4.961 1.00 0.00 H new ATOM 0 HG LEU A 29 124.221 -8.879 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.820 -10.916 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.332 -11.334 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.805 -11.238 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.740 -8.724 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.700 -9.046 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.446 -7.551 3.099 1.00 0.00 H new ATOM 474 N ASP A 30 126.899 -8.190 5.718 1.00 0.00 N ATOM 475 CA ASP A 30 127.605 -8.058 7.015 1.00 0.00 C ATOM 476 C ASP A 30 127.845 -6.573 7.303 1.00 0.00 C ATOM 477 O ASP A 30 127.692 -6.119 8.417 1.00 0.00 O ATOM 478 CB ASP A 30 128.945 -8.795 6.934 1.00 0.00 C ATOM 479 CG ASP A 30 129.689 -8.672 8.266 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.331 -7.808 9.049 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.607 -9.446 8.480 1.00 0.00 O ATOM 0 H ASP A 30 127.391 -8.728 5.004 1.00 0.00 H new ATOM 0 HA ASP A 30 127.004 -8.490 7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.778 -9.846 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.551 -8.379 6.129 1.00 0.00 H new ATOM 486 N ASP A 31 128.228 -5.816 6.309 1.00 0.00 N ATOM 487 CA ASP A 31 128.485 -4.363 6.535 1.00 0.00 C ATOM 488 C ASP A 31 127.169 -3.600 6.744 1.00 0.00 C ATOM 489 O ASP A 31 127.037 -2.834 7.678 1.00 0.00 O ATOM 490 CB ASP A 31 129.226 -3.789 5.327 1.00 0.00 C ATOM 491 CG ASP A 31 130.651 -4.344 5.295 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.261 -4.416 6.349 1.00 0.00 O ATOM 493 OD2 ASP A 31 131.111 -4.682 4.217 1.00 0.00 O ATOM 0 H ASP A 31 128.374 -6.140 5.353 1.00 0.00 H new ATOM 0 HA ASP A 31 129.092 -4.250 7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.702 -4.049 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.249 -2.701 5.384 1.00 0.00 H new ATOM 498 N LEU A 32 126.194 -3.788 5.892 1.00 0.00 N ATOM 499 CA LEU A 32 124.911 -3.047 6.078 1.00 0.00 C ATOM 500 C LEU A 32 124.308 -3.411 7.437 1.00 0.00 C ATOM 501 O LEU A 32 123.950 -2.546 8.205 1.00 0.00 O ATOM 502 CB LEU A 32 123.926 -3.367 4.939 1.00 0.00 C ATOM 503 CG LEU A 32 122.538 -2.783 5.255 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.655 -1.290 5.585 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.636 -2.953 4.029 1.00 0.00 C ATOM 0 H LEU A 32 126.229 -4.413 5.087 1.00 0.00 H new ATOM 0 HA LEU A 32 125.110 -1.976 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.297 -2.954 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.852 -4.446 4.805 1.00 0.00 H new ATOM 0 HG LEU A 32 122.116 -3.307 6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.666 -0.888 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.303 -1.159 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.079 -0.761 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.649 -2.542 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.072 -2.426 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.543 -4.012 3.789 1.00 0.00 H new ATOM 517 N PHE A 33 124.194 -4.675 7.751 1.00 0.00 N ATOM 518 CA PHE A 33 123.607 -5.045 9.074 1.00 0.00 C ATOM 519 C PHE A 33 124.466 -4.441 10.194 1.00 0.00 C ATOM 520 O PHE A 33 123.954 -3.981 11.191 1.00 0.00 O ATOM 521 CB PHE A 33 123.555 -6.577 9.246 1.00 0.00 C ATOM 522 CG PHE A 33 122.362 -7.162 8.499 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.046 -6.746 8.794 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.574 -8.127 7.503 1.00 0.00 C ATOM 525 CE1 PHE A 33 119.965 -7.294 8.088 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.490 -8.667 6.802 1.00 0.00 C ATOM 527 CZ PHE A 33 120.187 -8.250 7.089 1.00 0.00 C ATOM 0 H PHE A 33 124.477 -5.457 7.160 1.00 0.00 H new ATOM 0 HA PHE A 33 122.590 -4.655 9.123 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.478 -7.021 8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.486 -6.827 10.305 1.00 0.00 H new ATOM 0 HD1 PHE A 33 120.872 -6.007 9.562 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.578 -8.454 7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 33 118.958 -6.978 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.661 -9.409 6.036 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.353 -8.664 6.541 1.00 0.00 H new ATOM 537 N SER A 34 125.766 -4.454 10.046 1.00 0.00 N ATOM 538 CA SER A 34 126.649 -3.899 11.118 1.00 0.00 C ATOM 539 C SER A 34 126.350 -2.412 11.371 1.00 0.00 C ATOM 540 O SER A 34 126.205 -1.990 12.499 1.00 0.00 O ATOM 541 CB SER A 34 128.112 -4.042 10.698 1.00 0.00 C ATOM 542 OG SER A 34 128.376 -3.163 9.613 1.00 0.00 O ATOM 0 H SER A 34 126.255 -4.824 9.231 1.00 0.00 H new ATOM 0 HA SER A 34 126.458 -4.456 12.035 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.768 -3.810 11.537 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.320 -5.071 10.406 1.00 0.00 H new ATOM 0 HG SER A 34 127.639 -3.209 8.968 1.00 0.00 H new ATOM 548 N PHE A 35 126.274 -1.607 10.346 1.00 0.00 N ATOM 549 CA PHE A 35 126.003 -0.151 10.572 1.00 0.00 C ATOM 550 C PHE A 35 124.659 0.046 11.283 1.00 0.00 C ATOM 551 O PHE A 35 124.577 0.705 12.300 1.00 0.00 O ATOM 552 CB PHE A 35 125.981 0.570 9.223 1.00 0.00 C ATOM 553 CG PHE A 35 125.710 2.037 9.444 1.00 0.00 C ATOM 554 CD1 PHE A 35 126.774 2.923 9.640 1.00 0.00 C ATOM 555 CD2 PHE A 35 124.392 2.512 9.451 1.00 0.00 C ATOM 556 CE1 PHE A 35 126.522 4.284 9.845 1.00 0.00 C ATOM 557 CE2 PHE A 35 124.140 3.873 9.655 1.00 0.00 C ATOM 558 CZ PHE A 35 125.205 4.759 9.853 1.00 0.00 C ATOM 0 H PHE A 35 126.386 -1.886 9.371 1.00 0.00 H new ATOM 0 HA PHE A 35 126.790 0.262 11.203 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.935 0.438 8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.213 0.140 8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 35 127.790 2.557 9.633 1.00 0.00 H new ATOM 0 HD2 PHE A 35 123.571 1.828 9.299 1.00 0.00 H new ATOM 0 HE1 PHE A 35 127.344 4.968 9.997 1.00 0.00 H new ATOM 0 HE2 PHE A 35 123.124 4.240 9.660 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.011 5.809 10.012 1.00 0.00 H new ATOM 568 N MET A 36 123.609 -0.520 10.758 1.00 0.00 N ATOM 569 CA MET A 36 122.267 -0.375 11.399 1.00 0.00 C ATOM 570 C MET A 36 122.226 -1.162 12.715 1.00 0.00 C ATOM 571 O MET A 36 121.318 -1.019 13.509 1.00 0.00 O ATOM 572 CB MET A 36 121.201 -0.908 10.441 1.00 0.00 C ATOM 573 CG MET A 36 121.487 -2.377 10.130 1.00 0.00 C ATOM 574 SD MET A 36 120.666 -2.839 8.583 1.00 0.00 S ATOM 575 CE MET A 36 119.049 -3.227 9.288 1.00 0.00 C ATOM 0 H MET A 36 123.620 -1.081 9.906 1.00 0.00 H new ATOM 0 HA MET A 36 122.076 0.676 11.616 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.212 -0.805 10.887 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.198 -0.324 9.521 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.562 -2.539 10.046 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.132 -3.008 10.945 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.493 -3.861 8.597 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.181 -3.751 10.234 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.496 -2.304 9.459 1.00 0.00 H new ATOM 585 N GLN A 37 123.195 -2.005 12.941 1.00 0.00 N ATOM 586 CA GLN A 37 123.211 -2.821 14.194 1.00 0.00 C ATOM 587 C GLN A 37 123.098 -1.904 15.406 1.00 0.00 C ATOM 588 O GLN A 37 122.916 -2.358 16.518 1.00 0.00 O ATOM 589 CB GLN A 37 124.512 -3.625 14.286 1.00 0.00 C ATOM 590 CG GLN A 37 124.448 -4.598 15.465 1.00 0.00 C ATOM 591 CD GLN A 37 125.637 -5.556 15.391 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.263 -5.685 14.358 1.00 0.00 O ATOM 593 NE2 GLN A 37 125.980 -6.236 16.450 1.00 0.00 N ATOM 0 H GLN A 37 123.981 -2.167 12.311 1.00 0.00 H new ATOM 0 HA GLN A 37 122.366 -3.509 14.175 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.675 -4.175 13.359 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.358 -2.949 14.408 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.466 -4.049 16.406 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.513 -5.157 15.440 1.00 0.00 H new ATOM 0 HE21 GLN A 37 125.455 -6.128 17.318 1.00 0.00 H new ATOM 0 HE22 GLN A 37 126.774 -6.876 16.410 1.00 0.00 H new ATOM 602 N LYS A 38 123.199 -0.615 15.214 1.00 0.00 N ATOM 603 CA LYS A 38 123.094 0.311 16.379 1.00 0.00 C ATOM 604 C LYS A 38 121.865 -0.089 17.203 1.00 0.00 C ATOM 605 O LYS A 38 121.951 -0.291 18.398 1.00 0.00 O ATOM 606 CB LYS A 38 122.939 1.747 15.873 1.00 0.00 C ATOM 607 CG LYS A 38 122.978 2.713 17.057 1.00 0.00 C ATOM 608 CD LYS A 38 122.823 4.150 16.554 1.00 0.00 C ATOM 609 CE LYS A 38 122.895 5.115 17.739 1.00 0.00 C ATOM 610 NZ LYS A 38 122.836 6.518 17.239 1.00 0.00 N ATOM 0 H LYS A 38 123.348 -0.167 14.310 1.00 0.00 H new ATOM 0 HA LYS A 38 123.990 0.250 16.997 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.738 1.984 15.170 1.00 0.00 H new ATOM 0 HB3 LYS A 38 121.998 1.854 15.334 1.00 0.00 H new ATOM 0 HG2 LYS A 38 122.179 2.475 17.760 1.00 0.00 H new ATOM 0 HG3 LYS A 38 123.919 2.605 17.596 1.00 0.00 H new ATOM 0 HD2 LYS A 38 123.608 4.382 15.834 1.00 0.00 H new ATOM 0 HD3 LYS A 38 121.871 4.264 16.035 1.00 0.00 H new ATOM 0 HE2 LYS A 38 122.070 4.927 18.426 1.00 0.00 H new ATOM 0 HE3 LYS A 38 123.817 4.955 18.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 122.885 7.176 18.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 123.638 6.693 16.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 121.944 6.666 16.725 1.00 0.00 H new ATOM 624 N ARG A 39 120.737 -0.264 16.568 1.00 0.00 N ATOM 625 CA ARG A 39 119.533 -0.718 17.320 1.00 0.00 C ATOM 626 C ARG A 39 119.778 -2.163 17.758 1.00 0.00 C ATOM 627 O ARG A 39 119.460 -2.552 18.865 1.00 0.00 O ATOM 628 CB ARG A 39 118.288 -0.647 16.423 1.00 0.00 C ATOM 629 CG ARG A 39 117.904 0.818 16.147 1.00 0.00 C ATOM 630 CD ARG A 39 117.060 1.380 17.302 1.00 0.00 C ATOM 631 NE ARG A 39 115.645 0.935 17.135 1.00 0.00 N ATOM 632 CZ ARG A 39 114.884 0.746 18.181 1.00 0.00 C ATOM 633 NH1 ARG A 39 114.963 -0.373 18.848 1.00 0.00 N ATOM 634 NH2 ARG A 39 114.050 1.677 18.557 1.00 0.00 N ATOM 0 H ARG A 39 120.598 -0.113 15.569 1.00 0.00 H new ATOM 0 HA ARG A 39 119.363 -0.077 18.185 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.481 -1.162 15.482 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.457 -1.163 16.904 1.00 0.00 H new ATOM 0 HG2 ARG A 39 118.805 1.419 16.021 1.00 0.00 H new ATOM 0 HG3 ARG A 39 117.344 0.884 15.214 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.453 1.033 18.258 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.113 2.469 17.311 1.00 0.00 H new ATOM 0 HE ARG A 39 115.270 0.778 16.200 1.00 0.00 H new ATOM 0 HH11 ARG A 39 115.617 -1.098 18.553 1.00 0.00 H new ATOM 0 HH12 ARG A 39 114.370 -0.523 19.665 1.00 0.00 H new ATOM 0 HH21 ARG A 39 113.992 2.551 18.035 1.00 0.00 H new ATOM 0 HH22 ARG A 39 113.456 1.530 19.373 1.00 0.00 H new ATOM 648 N GLY A 40 120.372 -2.953 16.893 1.00 0.00 N ATOM 649 CA GLY A 40 120.688 -4.379 17.232 1.00 0.00 C ATOM 650 C GLY A 40 119.793 -5.338 16.443 1.00 0.00 C ATOM 651 O GLY A 40 120.055 -6.525 16.398 1.00 0.00 O ATOM 0 H GLY A 40 120.654 -2.667 15.956 1.00 0.00 H new ATOM 0 HA2 GLY A 40 121.735 -4.586 17.010 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.550 -4.542 18.301 1.00 0.00 H new ATOM 655 N THR A 41 118.742 -4.849 15.822 1.00 0.00 N ATOM 656 CA THR A 41 117.831 -5.752 15.037 1.00 0.00 C ATOM 657 C THR A 41 117.932 -5.432 13.533 1.00 0.00 C ATOM 658 O THR A 41 118.297 -4.337 13.156 1.00 0.00 O ATOM 659 CB THR A 41 116.382 -5.550 15.529 1.00 0.00 C ATOM 660 OG1 THR A 41 116.236 -4.224 16.014 1.00 0.00 O ATOM 661 CG2 THR A 41 116.073 -6.541 16.660 1.00 0.00 C ATOM 0 H THR A 41 118.475 -3.865 15.824 1.00 0.00 H new ATOM 0 HA THR A 41 118.127 -6.790 15.187 1.00 0.00 H new ATOM 0 HB THR A 41 115.692 -5.722 14.703 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.317 -4.089 16.326 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.049 -6.394 17.003 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.189 -7.561 16.292 1.00 0.00 H new ATOM 0 HG23 THR A 41 116.761 -6.373 17.489 1.00 0.00 H new ATOM 669 N PRO A 42 117.606 -6.386 12.678 1.00 0.00 N ATOM 670 CA PRO A 42 117.669 -6.163 11.206 1.00 0.00 C ATOM 671 C PRO A 42 116.901 -4.912 10.746 1.00 0.00 C ATOM 672 O PRO A 42 116.643 -3.999 11.505 1.00 0.00 O ATOM 673 CB PRO A 42 117.023 -7.448 10.639 1.00 0.00 C ATOM 674 CG PRO A 42 116.606 -8.350 11.818 1.00 0.00 C ATOM 675 CD PRO A 42 117.171 -7.748 13.110 1.00 0.00 C ATOM 0 HA PRO A 42 118.688 -5.985 10.864 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.155 -7.198 10.029 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.727 -7.972 9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.520 -8.421 11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 42 116.984 -9.362 11.674 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.419 -7.702 13.897 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.004 -8.334 13.499 1.00 0.00 H new ATOM 683 N ILE A 43 116.552 -4.881 9.488 1.00 0.00 N ATOM 684 CA ILE A 43 115.819 -3.717 8.919 1.00 0.00 C ATOM 685 C ILE A 43 114.413 -3.638 9.538 1.00 0.00 C ATOM 686 O ILE A 43 114.191 -4.092 10.642 1.00 0.00 O ATOM 687 CB ILE A 43 115.762 -3.898 7.382 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.649 -2.520 6.684 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.579 -4.807 6.969 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.049 -1.935 6.452 1.00 0.00 C ATOM 0 H ILE A 43 116.748 -5.627 8.821 1.00 0.00 H new ATOM 0 HA ILE A 43 116.326 -2.780 9.149 1.00 0.00 H new ATOM 0 HB ILE A 43 116.686 -4.382 7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.128 -2.626 5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.058 -1.840 7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.565 -4.915 5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.695 -5.788 7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.643 -4.359 7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.962 -0.966 5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.555 -1.812 7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.626 -2.611 5.821 1.00 0.00 H new ATOM 702 N ASN A 44 113.466 -3.065 8.844 1.00 0.00 N ATOM 703 CA ASN A 44 112.090 -2.963 9.410 1.00 0.00 C ATOM 704 C ASN A 44 111.355 -4.286 9.190 1.00 0.00 C ATOM 705 O ASN A 44 111.070 -5.006 10.124 1.00 0.00 O ATOM 706 CB ASN A 44 111.330 -1.832 8.703 1.00 0.00 C ATOM 707 CG ASN A 44 111.772 -0.480 9.271 1.00 0.00 C ATOM 708 OD1 ASN A 44 111.953 -0.340 10.464 1.00 0.00 O ATOM 709 ND2 ASN A 44 111.954 0.527 8.461 1.00 0.00 N ATOM 0 H ASN A 44 113.585 -2.665 7.913 1.00 0.00 H new ATOM 0 HA ASN A 44 112.148 -2.750 10.477 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.521 -1.867 7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.256 -1.961 8.840 1.00 0.00 H new ATOM 0 HD21 ASN A 44 112.248 1.431 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 44 111.802 0.410 7.459 1.00 0.00 H new ATOM 716 N ARG A 45 111.051 -4.621 7.962 1.00 0.00 N ATOM 717 CA ARG A 45 110.341 -5.908 7.699 1.00 0.00 C ATOM 718 C ARG A 45 110.780 -6.475 6.347 1.00 0.00 C ATOM 719 O ARG A 45 111.163 -5.750 5.450 1.00 0.00 O ATOM 720 CB ARG A 45 108.828 -5.672 7.695 1.00 0.00 C ATOM 721 CG ARG A 45 108.360 -5.359 9.119 1.00 0.00 C ATOM 722 CD ARG A 45 106.831 -5.308 9.164 1.00 0.00 C ATOM 723 NE ARG A 45 106.340 -4.249 8.237 1.00 0.00 N ATOM 724 CZ ARG A 45 105.069 -3.948 8.202 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.204 -4.821 7.765 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.665 -2.772 8.604 1.00 0.00 N ATOM 0 H ARG A 45 111.262 -4.063 7.135 1.00 0.00 H new ATOM 0 HA ARG A 45 110.591 -6.622 8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.579 -4.846 7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.312 -6.554 7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.728 -6.120 9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.774 -4.405 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.416 -6.275 8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.493 -5.102 10.180 1.00 0.00 H new ATOM 0 HE ARG A 45 106.997 -3.759 7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.520 -5.739 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.212 -4.586 7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.342 -2.089 8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.673 -2.537 8.577 1.00 0.00 H new ATOM 740 N LEU A 46 110.726 -7.774 6.206 1.00 0.00 N ATOM 741 CA LEU A 46 111.133 -8.436 4.928 1.00 0.00 C ATOM 742 C LEU A 46 110.022 -9.408 4.494 1.00 0.00 C ATOM 743 O LEU A 46 109.991 -10.533 4.952 1.00 0.00 O ATOM 744 CB LEU A 46 112.411 -9.243 5.176 1.00 0.00 C ATOM 745 CG LEU A 46 113.586 -8.298 5.488 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.684 -9.075 6.219 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.166 -7.717 4.188 1.00 0.00 C ATOM 0 H LEU A 46 110.412 -8.416 6.934 1.00 0.00 H new ATOM 0 HA LEU A 46 111.301 -7.684 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.259 -9.932 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.644 -9.847 4.299 1.00 0.00 H new ATOM 0 HG LEU A 46 113.223 -7.483 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.516 -8.407 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.286 -9.479 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.033 -9.893 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 46 114.996 -7.051 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.522 -8.529 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.392 -7.159 3.662 1.00 0.00 H new ATOM 759 N PRO A 47 109.104 -9.008 3.636 1.00 0.00 N ATOM 760 CA PRO A 47 108.019 -9.938 3.222 1.00 0.00 C ATOM 761 C PRO A 47 108.569 -11.188 2.520 1.00 0.00 C ATOM 762 O PRO A 47 109.440 -11.108 1.677 1.00 0.00 O ATOM 763 CB PRO A 47 107.156 -9.071 2.279 1.00 0.00 C ATOM 764 CG PRO A 47 107.777 -7.659 2.201 1.00 0.00 C ATOM 765 CD PRO A 47 109.079 -7.646 3.025 1.00 0.00 C ATOM 0 HA PRO A 47 107.454 -10.336 4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.112 -9.520 1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.132 -9.014 2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.983 -7.394 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.078 -6.917 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.952 -7.469 2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.069 -6.863 3.784 1.00 0.00 H new ATOM 773 N ILE A 48 108.062 -12.343 2.867 1.00 0.00 N ATOM 774 CA ILE A 48 108.540 -13.604 2.235 1.00 0.00 C ATOM 775 C ILE A 48 107.543 -14.010 1.159 1.00 0.00 C ATOM 776 O ILE A 48 106.369 -14.185 1.420 1.00 0.00 O ATOM 777 CB ILE A 48 108.608 -14.713 3.287 1.00 0.00 C ATOM 778 CG1 ILE A 48 109.372 -14.222 4.523 1.00 0.00 C ATOM 779 CG2 ILE A 48 109.319 -15.933 2.699 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.711 -13.604 4.108 1.00 0.00 C ATOM 0 H ILE A 48 107.331 -12.465 3.568 1.00 0.00 H new ATOM 0 HA ILE A 48 109.530 -13.450 1.805 1.00 0.00 H new ATOM 0 HB ILE A 48 107.594 -14.986 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.774 -13.485 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 48 109.543 -15.053 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 48 109.367 -16.723 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.768 -16.291 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 48 110.329 -15.656 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 48 111.243 -13.260 4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 48 111.312 -14.352 3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.531 -12.760 3.442 1.00 0.00 H new ATOM 841 N SER A 52 110.461 -17.858 -1.900 1.00 0.00 N ATOM 842 CA SER A 52 111.540 -16.854 -2.145 1.00 0.00 C ATOM 843 C SER A 52 111.379 -15.711 -1.138 1.00 0.00 C ATOM 844 O SER A 52 110.377 -15.615 -0.456 1.00 0.00 O ATOM 845 CB SER A 52 111.420 -16.328 -3.587 1.00 0.00 C ATOM 846 OG SER A 52 112.408 -16.957 -4.396 1.00 0.00 O ATOM 0 HA SER A 52 112.524 -17.306 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 52 110.425 -16.534 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 52 111.552 -15.246 -3.605 1.00 0.00 H new ATOM 0 HG SER A 52 112.336 -16.627 -5.316 1.00 0.00 H new ATOM 852 N VAL A 53 112.356 -14.846 -1.040 1.00 0.00 N ATOM 853 CA VAL A 53 112.265 -13.704 -0.080 1.00 0.00 C ATOM 854 C VAL A 53 112.727 -12.417 -0.769 1.00 0.00 C ATOM 855 O VAL A 53 113.677 -12.409 -1.526 1.00 0.00 O ATOM 856 CB VAL A 53 113.150 -13.999 1.134 1.00 0.00 C ATOM 857 CG1 VAL A 53 114.560 -14.356 0.665 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.202 -12.768 2.041 1.00 0.00 C ATOM 0 H VAL A 53 113.217 -14.882 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 53 111.233 -13.577 0.248 1.00 0.00 H new ATOM 0 HB VAL A 53 112.734 -14.838 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 53 115.189 -14.566 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 53 114.518 -15.237 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 53 114.980 -13.520 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 53 113.832 -12.979 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 53 113.616 -11.925 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 53 112.195 -12.522 2.378 1.00 0.00 H new ATOM 868 N LEU A 54 112.053 -11.327 -0.512 1.00 0.00 N ATOM 869 CA LEU A 54 112.436 -10.035 -1.151 1.00 0.00 C ATOM 870 C LEU A 54 113.820 -9.604 -0.655 1.00 0.00 C ATOM 871 O LEU A 54 113.965 -9.089 0.434 1.00 0.00 O ATOM 872 CB LEU A 54 111.400 -8.963 -0.768 1.00 0.00 C ATOM 873 CG LEU A 54 111.477 -7.768 -1.744 1.00 0.00 C ATOM 874 CD1 LEU A 54 110.594 -8.032 -2.973 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.990 -6.493 -1.039 1.00 0.00 C ATOM 0 H LEU A 54 111.251 -11.277 0.116 1.00 0.00 H new ATOM 0 HA LEU A 54 112.465 -10.156 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.398 -9.393 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.581 -8.621 0.251 1.00 0.00 H new ATOM 0 HG LEU A 54 112.511 -7.641 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 54 110.656 -7.183 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.939 -8.932 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.560 -8.168 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.045 -5.652 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.958 -6.628 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.620 -6.293 -0.172 1.00 0.00 H new ATOM 887 N ASP A 55 114.839 -9.805 -1.448 1.00 0.00 N ATOM 888 CA ASP A 55 116.205 -9.395 -1.016 1.00 0.00 C ATOM 889 C ASP A 55 116.302 -7.867 -1.005 1.00 0.00 C ATOM 890 O ASP A 55 116.271 -7.230 -2.039 1.00 0.00 O ATOM 891 CB ASP A 55 117.245 -9.959 -1.987 1.00 0.00 C ATOM 892 CG ASP A 55 118.648 -9.672 -1.448 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.751 -8.912 -0.499 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.595 -10.216 -1.993 1.00 0.00 O ATOM 0 H ASP A 55 114.784 -10.234 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 55 116.395 -9.782 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 55 117.102 -11.033 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 55 117.122 -9.508 -2.972 1.00 0.00 H new ATOM 899 N LEU A 56 116.428 -7.274 0.149 1.00 0.00 N ATOM 900 CA LEU A 56 116.541 -5.789 0.215 1.00 0.00 C ATOM 901 C LEU A 56 117.668 -5.327 -0.710 1.00 0.00 C ATOM 902 O LEU A 56 117.736 -4.180 -1.102 1.00 0.00 O ATOM 903 CB LEU A 56 116.845 -5.363 1.659 1.00 0.00 C ATOM 904 CG LEU A 56 118.169 -6.015 2.149 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.324 -5.005 2.072 1.00 0.00 C ATOM 906 CD2 LEU A 56 118.015 -6.475 3.607 1.00 0.00 C ATOM 0 H LEU A 56 116.458 -7.752 1.049 1.00 0.00 H new ATOM 0 HA LEU A 56 115.603 -5.334 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 56 116.924 -4.277 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 56 116.024 -5.657 2.312 1.00 0.00 H new ATOM 0 HG LEU A 56 118.388 -6.869 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 56 120.244 -5.477 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.451 -4.676 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 56 119.098 -4.145 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 56 118.946 -6.931 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 56 117.782 -5.616 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 56 117.208 -7.204 3.675 1.00 0.00 H new ATOM 918 N TYR A 57 118.561 -6.217 -1.051 1.00 0.00 N ATOM 919 CA TYR A 57 119.697 -5.840 -1.941 1.00 0.00 C ATOM 920 C TYR A 57 119.145 -5.337 -3.280 1.00 0.00 C ATOM 921 O TYR A 57 119.639 -4.384 -3.848 1.00 0.00 O ATOM 922 CB TYR A 57 120.577 -7.084 -2.184 1.00 0.00 C ATOM 923 CG TYR A 57 121.999 -6.679 -2.544 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.260 -5.944 -3.712 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.065 -7.049 -1.708 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.570 -5.579 -4.033 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.375 -6.684 -2.035 1.00 0.00 C ATOM 928 CZ TYR A 57 124.627 -5.947 -3.195 1.00 0.00 C ATOM 929 OH TYR A 57 125.920 -5.590 -3.517 1.00 0.00 O ATOM 0 H TYR A 57 118.553 -7.192 -0.751 1.00 0.00 H new ATOM 0 HA TYR A 57 120.290 -5.054 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.587 -7.708 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.151 -7.685 -2.987 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.447 -5.660 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.873 -7.617 -0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.767 -5.011 -4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.192 -6.972 -1.390 1.00 0.00 H new ATOM 0 HH TYR A 57 126.533 -5.924 -2.829 1.00 0.00 H new ATOM 939 N GLU A 58 118.136 -5.981 -3.798 1.00 0.00 N ATOM 940 CA GLU A 58 117.588 -5.553 -5.114 1.00 0.00 C ATOM 941 C GLU A 58 117.093 -4.111 -5.041 1.00 0.00 C ATOM 942 O GLU A 58 117.283 -3.342 -5.957 1.00 0.00 O ATOM 943 CB GLU A 58 116.417 -6.463 -5.497 1.00 0.00 C ATOM 944 CG GLU A 58 116.942 -7.859 -5.834 1.00 0.00 C ATOM 945 CD GLU A 58 117.738 -7.811 -7.139 1.00 0.00 C ATOM 946 OE1 GLU A 58 117.550 -6.869 -7.891 1.00 0.00 O ATOM 947 OE2 GLU A 58 118.524 -8.717 -7.364 1.00 0.00 O ATOM 0 H GLU A 58 117.670 -6.781 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 58 118.378 -5.622 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 58 115.704 -6.520 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.885 -6.047 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 58 117.574 -8.225 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 58 116.110 -8.557 -5.930 1.00 0.00 H new ATOM 954 N LEU A 59 116.464 -3.727 -3.970 1.00 0.00 N ATOM 955 CA LEU A 59 115.971 -2.326 -3.888 1.00 0.00 C ATOM 956 C LEU A 59 117.161 -1.366 -4.005 1.00 0.00 C ATOM 957 O LEU A 59 117.111 -0.391 -4.728 1.00 0.00 O ATOM 958 CB LEU A 59 115.254 -2.103 -2.548 1.00 0.00 C ATOM 959 CG LEU A 59 114.735 -0.653 -2.453 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.634 -0.417 -3.503 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.166 -0.410 -1.052 1.00 0.00 C ATOM 0 H LEU A 59 116.271 -4.312 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 59 115.269 -2.139 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.422 -2.801 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.938 -2.307 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 59 115.558 0.036 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.274 0.609 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.040 -0.587 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.808 -1.105 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.798 0.614 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.346 -1.104 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 59 114.948 -0.567 -0.309 1.00 0.00 H new ATOM 973 N TYR A 60 118.219 -1.614 -3.278 1.00 0.00 N ATOM 974 CA TYR A 60 119.390 -0.691 -3.334 1.00 0.00 C ATOM 975 C TYR A 60 119.964 -0.601 -4.754 1.00 0.00 C ATOM 976 O TYR A 60 120.186 0.480 -5.263 1.00 0.00 O ATOM 977 CB TYR A 60 120.481 -1.156 -2.365 1.00 0.00 C ATOM 978 CG TYR A 60 121.555 -0.096 -2.331 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.247 1.181 -1.850 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.840 -0.368 -2.817 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.211 2.182 -1.854 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.813 0.637 -2.811 1.00 0.00 C ATOM 983 CZ TYR A 60 123.496 1.913 -2.330 1.00 0.00 C ATOM 984 OH TYR A 60 124.443 2.911 -2.339 1.00 0.00 O ATOM 0 H TYR A 60 118.322 -2.412 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 60 119.044 0.300 -3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.066 -1.310 -1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.897 -2.110 -2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.256 1.390 -1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.079 -1.351 -3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.966 3.168 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.808 0.429 -3.177 1.00 0.00 H new ATOM 0 HH TYR A 60 125.330 2.519 -2.479 1.00 0.00 H new ATOM 994 N ASN A 61 120.226 -1.706 -5.404 1.00 0.00 N ATOM 995 CA ASN A 61 120.802 -1.621 -6.779 1.00 0.00 C ATOM 996 C ASN A 61 119.841 -0.863 -7.699 1.00 0.00 C ATOM 997 O ASN A 61 120.255 -0.059 -8.510 1.00 0.00 O ATOM 998 CB ASN A 61 121.025 -3.030 -7.334 1.00 0.00 C ATOM 999 CG ASN A 61 122.262 -3.664 -6.691 1.00 0.00 C ATOM 1000 OD1 ASN A 61 122.517 -4.836 -6.883 1.00 0.00 O ATOM 1001 ND2 ASN A 61 123.046 -2.941 -5.934 1.00 0.00 N ATOM 0 H ASN A 61 120.069 -2.649 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 61 121.754 -1.092 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 61 120.148 -3.648 -7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.151 -2.987 -8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 61 123.871 -3.361 -5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 61 122.833 -1.957 -5.772 1.00 0.00 H new ATOM 1008 N LEU A 62 118.567 -1.099 -7.579 1.00 0.00 N ATOM 1009 CA LEU A 62 117.594 -0.377 -8.446 1.00 0.00 C ATOM 1010 C LEU A 62 117.638 1.116 -8.108 1.00 0.00 C ATOM 1011 O LEU A 62 117.548 1.959 -8.975 1.00 0.00 O ATOM 1012 CB LEU A 62 116.182 -0.921 -8.205 1.00 0.00 C ATOM 1013 CG LEU A 62 116.099 -2.395 -8.644 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.773 -2.999 -8.161 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.175 -2.509 -10.178 1.00 0.00 C ATOM 0 H LEU A 62 118.156 -1.759 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 62 117.856 -0.525 -9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.926 -0.833 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.456 -0.327 -8.760 1.00 0.00 H new ATOM 0 HG LEU A 62 116.939 -2.935 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.714 -4.042 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.721 -2.941 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.941 -2.444 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 62 116.115 -3.558 -10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.346 -1.961 -10.625 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.118 -2.089 -10.528 1.00 0.00 H new ATOM 1027 N VAL A 63 117.767 1.447 -6.853 1.00 0.00 N ATOM 1028 CA VAL A 63 117.801 2.887 -6.457 1.00 0.00 C ATOM 1029 C VAL A 63 118.984 3.586 -7.140 1.00 0.00 C ATOM 1030 O VAL A 63 118.814 4.593 -7.799 1.00 0.00 O ATOM 1031 CB VAL A 63 117.932 2.963 -4.926 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.412 4.354 -4.495 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.561 2.674 -4.289 1.00 0.00 C ATOM 0 H VAL A 63 117.851 0.784 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 63 116.886 3.391 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 63 118.662 2.225 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.499 4.389 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.384 4.558 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.695 5.105 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.646 2.726 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.837 3.413 -4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.228 1.678 -4.579 1.00 0.00 H new ATOM 1043 N ILE A 64 120.172 3.064 -7.014 1.00 0.00 N ATOM 1044 CA ILE A 64 121.328 3.715 -7.690 1.00 0.00 C ATOM 1045 C ILE A 64 121.069 3.711 -9.197 1.00 0.00 C ATOM 1046 O ILE A 64 121.351 4.666 -9.894 1.00 0.00 O ATOM 1047 CB ILE A 64 122.613 2.940 -7.390 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.943 3.047 -5.896 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.766 3.526 -8.209 1.00 0.00 C ATOM 1050 CD1 ILE A 64 124.078 2.076 -5.543 1.00 0.00 C ATOM 0 H ILE A 64 120.391 2.224 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 64 121.442 4.737 -7.328 1.00 0.00 H new ATOM 0 HB ILE A 64 122.472 1.892 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 64 123.236 4.068 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 64 122.058 2.818 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.681 2.974 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.534 3.448 -9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.904 4.574 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 64 124.308 2.156 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.768 1.056 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 64 124.965 2.325 -6.126 1.00 0.00 H new ATOM 1062 N ALA A 65 120.530 2.633 -9.701 1.00 0.00 N ATOM 1063 CA ALA A 65 120.241 2.546 -11.160 1.00 0.00 C ATOM 1064 C ALA A 65 119.409 3.758 -11.585 1.00 0.00 C ATOM 1065 O ALA A 65 119.321 4.086 -12.751 1.00 0.00 O ATOM 1066 CB ALA A 65 119.458 1.259 -11.450 1.00 0.00 C ATOM 0 H ALA A 65 120.277 1.805 -9.161 1.00 0.00 H new ATOM 0 HA ALA A 65 121.177 2.533 -11.718 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.246 1.195 -12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.050 0.396 -11.145 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.520 1.270 -10.894 1.00 0.00 H new ATOM 1072 N ARG A 66 118.789 4.421 -10.642 1.00 0.00 N ATOM 1073 CA ARG A 66 117.949 5.612 -10.980 1.00 0.00 C ATOM 1074 C ARG A 66 118.763 6.891 -10.761 1.00 0.00 C ATOM 1075 O ARG A 66 118.245 7.987 -10.836 1.00 0.00 O ATOM 1076 CB ARG A 66 116.716 5.637 -10.073 1.00 0.00 C ATOM 1077 CG ARG A 66 115.875 4.367 -10.276 1.00 0.00 C ATOM 1078 CD ARG A 66 115.007 4.490 -11.534 1.00 0.00 C ATOM 1079 NE ARG A 66 114.061 3.339 -11.588 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.465 2.179 -12.028 1.00 0.00 C ATOM 1081 NH1 ARG A 66 115.264 2.116 -13.058 1.00 0.00 N ATOM 1082 NH2 ARG A 66 114.069 1.084 -11.439 1.00 0.00 N ATOM 0 H ARG A 66 118.828 4.189 -9.650 1.00 0.00 H new ATOM 0 HA ARG A 66 117.637 5.552 -12.023 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.025 5.713 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.114 6.519 -10.292 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.530 3.500 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.241 4.201 -9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.455 5.430 -11.520 1.00 0.00 H new ATOM 0 HD3 ARG A 66 115.635 4.503 -12.425 1.00 0.00 H new ATOM 0 HE ARG A 66 113.096 3.459 -11.280 1.00 0.00 H new ATOM 0 HH11 ARG A 66 115.572 2.973 -13.518 1.00 0.00 H new ATOM 0 HH12 ARG A 66 115.581 1.210 -13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 66 113.444 1.135 -10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 66 114.385 0.177 -11.783 1.00 0.00 H new ATOM 1096 N GLY A 67 120.039 6.763 -10.512 1.00 0.00 N ATOM 1097 CA GLY A 67 120.898 7.972 -10.313 1.00 0.00 C ATOM 1098 C GLY A 67 121.006 8.333 -8.828 1.00 0.00 C ATOM 1099 O GLY A 67 121.812 9.163 -8.454 1.00 0.00 O ATOM 0 H GLY A 67 120.527 5.871 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.893 7.786 -10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.481 8.814 -10.866 1.00 0.00 H new ATOM 1103 N GLY A 68 120.226 7.721 -7.970 1.00 0.00 N ATOM 1104 CA GLY A 68 120.320 8.046 -6.508 1.00 0.00 C ATOM 1105 C GLY A 68 118.931 8.072 -5.870 1.00 0.00 C ATOM 1106 O GLY A 68 117.939 8.338 -6.519 1.00 0.00 O ATOM 0 H GLY A 68 119.532 7.015 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.943 7.306 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.805 9.013 -6.376 1.00 0.00 H new ATOM 1110 N LEU A 69 118.858 7.802 -4.591 1.00 0.00 N ATOM 1111 CA LEU A 69 117.540 7.809 -3.893 1.00 0.00 C ATOM 1112 C LEU A 69 116.912 9.201 -4.011 1.00 0.00 C ATOM 1113 O LEU A 69 115.755 9.342 -4.355 1.00 0.00 O ATOM 1114 CB LEU A 69 117.755 7.480 -2.410 1.00 0.00 C ATOM 1115 CG LEU A 69 116.403 7.461 -1.660 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.524 6.316 -2.197 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.642 7.275 -0.142 1.00 0.00 C ATOM 0 H LEU A 69 119.658 7.577 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 69 116.881 7.068 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.245 6.511 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.418 8.219 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 69 115.892 8.410 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.573 6.307 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.343 6.465 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 69 116.033 5.364 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.684 7.263 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 69 117.161 6.333 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.249 8.098 0.234 1.00 0.00 H new ATOM 1129 N VAL A 70 117.661 10.227 -3.713 1.00 0.00 N ATOM 1130 CA VAL A 70 117.100 11.604 -3.792 1.00 0.00 C ATOM 1131 C VAL A 70 116.641 11.877 -5.223 1.00 0.00 C ATOM 1132 O VAL A 70 115.629 12.510 -5.447 1.00 0.00 O ATOM 1133 CB VAL A 70 118.166 12.623 -3.372 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.550 14.022 -3.332 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.689 12.265 -1.980 1.00 0.00 C ATOM 0 H VAL A 70 118.636 10.171 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 70 116.248 11.694 -3.118 1.00 0.00 H new ATOM 0 HB VAL A 70 118.986 12.605 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.309 14.745 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.171 14.281 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.730 14.038 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.447 12.988 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.866 12.284 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.127 11.267 -2.002 1.00 0.00 H new ATOM 1145 N ASP A 71 117.366 11.403 -6.200 1.00 0.00 N ATOM 1146 CA ASP A 71 116.939 11.643 -7.605 1.00 0.00 C ATOM 1147 C ASP A 71 115.568 10.994 -7.832 1.00 0.00 C ATOM 1148 O ASP A 71 114.709 11.550 -8.486 1.00 0.00 O ATOM 1149 CB ASP A 71 117.965 11.040 -8.567 1.00 0.00 C ATOM 1150 CG ASP A 71 119.255 11.861 -8.512 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.217 12.953 -7.969 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.257 11.387 -9.021 1.00 0.00 O ATOM 0 H ASP A 71 118.226 10.866 -6.087 1.00 0.00 H new ATOM 0 HA ASP A 71 116.869 12.715 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.168 10.004 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.568 11.033 -9.582 1.00 0.00 H new ATOM 1157 N VAL A 72 115.358 9.824 -7.288 1.00 0.00 N ATOM 1158 CA VAL A 72 114.041 9.139 -7.460 1.00 0.00 C ATOM 1159 C VAL A 72 112.931 9.970 -6.810 1.00 0.00 C ATOM 1160 O VAL A 72 111.900 10.221 -7.401 1.00 0.00 O ATOM 1161 CB VAL A 72 114.102 7.761 -6.783 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.690 7.159 -6.654 1.00 0.00 C ATOM 1163 CG2 VAL A 72 114.978 6.833 -7.624 1.00 0.00 C ATOM 0 H VAL A 72 116.042 9.312 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 72 113.828 9.026 -8.523 1.00 0.00 H new ATOM 0 HB VAL A 72 114.524 7.872 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.753 6.183 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.066 7.821 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.250 7.047 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.027 5.852 -7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.550 6.734 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 72 115.982 7.250 -7.700 1.00 0.00 H new ATOM 1173 N ILE A 73 113.128 10.370 -5.588 1.00 0.00 N ATOM 1174 CA ILE A 73 112.081 11.154 -4.880 1.00 0.00 C ATOM 1175 C ILE A 73 111.785 12.456 -5.629 1.00 0.00 C ATOM 1176 O ILE A 73 110.644 12.785 -5.890 1.00 0.00 O ATOM 1177 CB ILE A 73 112.577 11.473 -3.471 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.805 10.162 -2.712 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.533 12.313 -2.740 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.533 10.444 -1.395 1.00 0.00 C ATOM 0 H ILE A 73 113.973 10.187 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 73 111.163 10.569 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 73 113.511 12.032 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.850 9.676 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.391 9.475 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.888 12.540 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.367 13.242 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.597 11.757 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.692 9.508 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.496 10.911 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.930 11.114 -0.782 1.00 0.00 H new ATOM 1192 N ASN A 74 112.796 13.203 -5.968 1.00 0.00 N ATOM 1193 CA ASN A 74 112.561 14.485 -6.690 1.00 0.00 C ATOM 1194 C ASN A 74 111.858 14.217 -8.027 1.00 0.00 C ATOM 1195 O ASN A 74 110.983 14.954 -8.435 1.00 0.00 O ATOM 1196 CB ASN A 74 113.897 15.182 -6.943 1.00 0.00 C ATOM 1197 CG ASN A 74 113.651 16.498 -7.684 1.00 0.00 C ATOM 1198 OD1 ASN A 74 113.669 16.539 -8.898 1.00 0.00 O ATOM 1199 ND2 ASN A 74 113.417 17.582 -6.997 1.00 0.00 N ATOM 0 H ASN A 74 113.774 12.983 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 74 111.926 15.126 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.405 15.374 -5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.551 14.537 -7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 74 113.249 18.465 -7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 74 113.402 17.547 -5.978 1.00 0.00 H new ATOM 1206 N LYS A 75 112.245 13.175 -8.721 1.00 0.00 N ATOM 1207 CA LYS A 75 111.609 12.869 -10.043 1.00 0.00 C ATOM 1208 C LYS A 75 110.439 11.898 -9.853 1.00 0.00 C ATOM 1209 O LYS A 75 109.772 11.524 -10.798 1.00 0.00 O ATOM 1210 CB LYS A 75 112.653 12.244 -10.973 1.00 0.00 C ATOM 1211 CG LYS A 75 113.682 13.308 -11.361 1.00 0.00 C ATOM 1212 CD LYS A 75 114.732 12.699 -12.292 1.00 0.00 C ATOM 1213 CE LYS A 75 115.754 13.773 -12.672 1.00 0.00 C ATOM 1214 NZ LYS A 75 116.840 13.167 -13.495 1.00 0.00 N ATOM 0 H LYS A 75 112.973 12.523 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 75 111.231 13.792 -10.483 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.146 11.408 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.170 11.845 -11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 75 113.186 14.144 -11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.162 13.706 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 75 115.231 11.864 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 75 114.254 12.302 -13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 75 115.265 14.572 -13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 75 116.174 14.223 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 117.532 13.900 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 117.314 12.419 -12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 116.433 12.758 -14.360 1.00 0.00 H new ATOM 1228 N LYS A 76 110.177 11.499 -8.641 1.00 0.00 N ATOM 1229 CA LYS A 76 109.041 10.565 -8.386 1.00 0.00 C ATOM 1230 C LYS A 76 109.140 9.352 -9.321 1.00 0.00 C ATOM 1231 O LYS A 76 108.250 9.083 -10.103 1.00 0.00 O ATOM 1232 CB LYS A 76 107.722 11.305 -8.637 1.00 0.00 C ATOM 1233 CG LYS A 76 106.540 10.458 -8.149 1.00 0.00 C ATOM 1234 CD LYS A 76 105.267 11.308 -8.125 1.00 0.00 C ATOM 1235 CE LYS A 76 104.904 11.747 -9.546 1.00 0.00 C ATOM 1236 NZ LYS A 76 103.497 12.233 -9.569 1.00 0.00 N ATOM 0 H LYS A 76 110.701 11.779 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 76 109.079 10.217 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.730 12.264 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.612 11.518 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 76 106.402 9.598 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 76 106.747 10.069 -7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 76 104.446 10.737 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.416 12.183 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 76 105.578 12.536 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.024 10.913 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.249 12.532 -10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 102.860 11.467 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 103.398 13.040 -8.920 1.00 0.00 H new ATOM 1250 N LEU A 77 110.216 8.609 -9.238 1.00 0.00 N ATOM 1251 CA LEU A 77 110.379 7.397 -10.105 1.00 0.00 C ATOM 1252 C LEU A 77 110.081 6.147 -9.271 1.00 0.00 C ATOM 1253 O LEU A 77 110.432 5.042 -9.636 1.00 0.00 O ATOM 1254 CB LEU A 77 111.814 7.331 -10.641 1.00 0.00 C ATOM 1255 CG LEU A 77 112.115 8.581 -11.478 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.593 8.575 -11.880 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.232 8.600 -12.741 1.00 0.00 C ATOM 0 H LEU A 77 110.994 8.790 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 77 109.690 7.452 -10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.518 7.259 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 77 111.944 6.435 -11.249 1.00 0.00 H new ATOM 0 HG LEU A 77 111.899 9.471 -10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 77 113.812 9.462 -12.475 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.214 8.577 -10.984 1.00 0.00 H new ATOM 0 HD13 LEU A 77 113.807 7.682 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.454 9.492 -13.327 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.435 7.712 -13.340 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.181 8.610 -12.450 1.00 0.00 H new ATOM 1269 N TRP A 78 109.437 6.321 -8.147 1.00 0.00 N ATOM 1270 CA TRP A 78 109.111 5.156 -7.272 1.00 0.00 C ATOM 1271 C TRP A 78 108.233 4.166 -8.040 1.00 0.00 C ATOM 1272 O TRP A 78 108.355 2.968 -7.885 1.00 0.00 O ATOM 1273 CB TRP A 78 108.356 5.640 -6.029 1.00 0.00 C ATOM 1274 CG TRP A 78 109.314 6.260 -5.063 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.464 7.590 -4.865 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.252 5.603 -4.162 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.433 7.792 -3.900 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.949 6.598 -3.435 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.563 4.255 -3.906 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.919 6.267 -2.489 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.540 3.919 -2.954 1.00 0.00 C ATOM 1282 CH2 TRP A 78 112.215 4.923 -2.248 1.00 0.00 C ATOM 0 H TRP A 78 109.121 7.225 -7.795 1.00 0.00 H new ATOM 0 HA TRP A 78 110.037 4.666 -6.970 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.594 6.365 -6.315 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.840 4.804 -5.557 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.916 8.367 -5.377 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.731 8.711 -3.571 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.047 3.474 -4.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.437 7.044 -1.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.772 2.881 -2.766 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.965 4.658 -1.517 1.00 0.00 H new ATOM 1293 N GLN A 79 107.348 4.653 -8.865 1.00 0.00 N ATOM 1294 CA GLN A 79 106.470 3.726 -9.630 1.00 0.00 C ATOM 1295 C GLN A 79 107.351 2.766 -10.423 1.00 0.00 C ATOM 1296 O GLN A 79 107.054 1.596 -10.547 1.00 0.00 O ATOM 1297 CB GLN A 79 105.591 4.531 -10.596 1.00 0.00 C ATOM 1298 CG GLN A 79 104.541 5.319 -9.808 1.00 0.00 C ATOM 1299 CD GLN A 79 103.447 4.367 -9.320 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.175 4.290 -8.138 1.00 0.00 O ATOM 1301 NE2 GLN A 79 102.800 3.637 -10.188 1.00 0.00 N ATOM 0 H GLN A 79 107.196 5.646 -9.041 1.00 0.00 H new ATOM 0 HA GLN A 79 105.830 3.168 -8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 79 106.208 5.213 -11.181 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.101 3.860 -11.302 1.00 0.00 H new ATOM 0 HG2 GLN A 79 105.008 5.819 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.107 6.096 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 79 103.028 3.702 -11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.066 3.002 -9.874 1.00 0.00 H new ATOM 1310 N GLU A 80 108.435 3.252 -10.959 1.00 0.00 N ATOM 1311 CA GLU A 80 109.340 2.370 -11.745 1.00 0.00 C ATOM 1312 C GLU A 80 109.865 1.220 -10.869 1.00 0.00 C ATOM 1313 O GLU A 80 109.968 0.099 -11.321 1.00 0.00 O ATOM 1314 CB GLU A 80 110.517 3.189 -12.275 1.00 0.00 C ATOM 1315 CG GLU A 80 111.418 2.289 -13.120 1.00 0.00 C ATOM 1316 CD GLU A 80 112.462 3.142 -13.841 1.00 0.00 C ATOM 1317 OE1 GLU A 80 112.441 4.348 -13.661 1.00 0.00 O ATOM 1318 OE2 GLU A 80 113.267 2.574 -14.561 1.00 0.00 O ATOM 0 H GLU A 80 108.734 4.225 -10.886 1.00 0.00 H new ATOM 0 HA GLU A 80 108.781 1.947 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 80 110.154 4.024 -12.874 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.083 3.614 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 80 111.911 1.552 -12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 80 110.820 1.737 -13.845 1.00 0.00 H new ATOM 1325 N ILE A 81 110.200 1.471 -9.626 1.00 0.00 N ATOM 1326 CA ILE A 81 110.713 0.355 -8.768 1.00 0.00 C ATOM 1327 C ILE A 81 109.623 -0.722 -8.641 1.00 0.00 C ATOM 1328 O ILE A 81 109.795 -1.843 -9.080 1.00 0.00 O ATOM 1329 CB ILE A 81 111.100 0.893 -7.369 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.487 1.557 -7.430 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.140 -0.255 -6.346 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.737 2.346 -6.143 1.00 0.00 C ATOM 0 H ILE A 81 110.142 2.384 -9.174 1.00 0.00 H new ATOM 0 HA ILE A 81 111.601 -0.079 -9.227 1.00 0.00 H new ATOM 0 HB ILE A 81 110.352 1.624 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.259 0.798 -7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.546 2.221 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.414 0.139 -5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.158 -0.724 -6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.877 -0.995 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.720 2.815 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.973 3.115 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.697 1.670 -5.289 1.00 0.00 H new ATOM 1344 N ILE A 82 108.508 -0.395 -8.045 1.00 0.00 N ATOM 1345 CA ILE A 82 107.421 -1.407 -7.896 1.00 0.00 C ATOM 1346 C ILE A 82 106.920 -1.830 -9.283 1.00 0.00 C ATOM 1347 O ILE A 82 106.807 -3.004 -9.575 1.00 0.00 O ATOM 1348 CB ILE A 82 106.268 -0.818 -7.056 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.109 0.676 -7.356 1.00 0.00 C ATOM 1350 CG2 ILE A 82 106.571 -0.995 -5.565 1.00 0.00 C ATOM 1351 CD1 ILE A 82 104.840 1.199 -6.681 1.00 0.00 C ATOM 0 H ILE A 82 108.303 0.525 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 82 107.808 -2.286 -7.381 1.00 0.00 H new ATOM 0 HB ILE A 82 105.347 -1.341 -7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.979 1.225 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 82 106.054 0.838 -8.433 1.00 0.00 H new ATOM 0 HG21 ILE A 82 105.754 -0.578 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 82 106.677 -2.056 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 82 107.498 -0.477 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 82 104.726 2.262 -6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 82 103.975 0.658 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.913 1.051 -5.604 1.00 0.00 H new ATOM 1537 N ALA A 95 104.765 1.891 -2.740 1.00 0.00 N ATOM 1538 CA ALA A 95 105.910 2.830 -2.930 1.00 0.00 C ATOM 1539 C ALA A 95 106.103 3.632 -1.637 1.00 0.00 C ATOM 1540 O ALA A 95 107.210 3.857 -1.193 1.00 0.00 O ATOM 1541 CB ALA A 95 105.605 3.782 -4.094 1.00 0.00 C ATOM 0 HA ALA A 95 106.819 2.273 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.441 4.467 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.454 3.205 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.702 4.351 -3.872 1.00 0.00 H new ATOM 1547 N PHE A 96 105.029 4.044 -1.023 1.00 0.00 N ATOM 1548 CA PHE A 96 105.145 4.812 0.254 1.00 0.00 C ATOM 1549 C PHE A 96 105.862 3.954 1.300 1.00 0.00 C ATOM 1550 O PHE A 96 106.669 4.434 2.069 1.00 0.00 O ATOM 1551 CB PHE A 96 103.747 5.177 0.761 1.00 0.00 C ATOM 1552 CG PHE A 96 103.856 5.944 2.058 1.00 0.00 C ATOM 1553 CD1 PHE A 96 103.954 7.340 2.046 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.849 5.253 3.276 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.045 8.045 3.254 1.00 0.00 C ATOM 1556 CE2 PHE A 96 103.941 5.957 4.482 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.038 7.353 4.471 1.00 0.00 C ATOM 0 H PHE A 96 104.075 3.884 -1.348 1.00 0.00 H new ATOM 0 HA PHE A 96 105.715 5.724 0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.225 5.778 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.157 4.273 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 96 103.960 7.873 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.773 4.176 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.121 9.122 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 96 103.937 5.423 5.421 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.107 7.897 5.402 1.00 0.00 H new ATOM 1567 N THR A 97 105.566 2.690 1.345 1.00 0.00 N ATOM 1568 CA THR A 97 106.233 1.813 2.344 1.00 0.00 C ATOM 1569 C THR A 97 107.730 1.726 2.024 1.00 0.00 C ATOM 1570 O THR A 97 108.562 1.710 2.906 1.00 0.00 O ATOM 1571 CB THR A 97 105.609 0.413 2.283 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.222 0.506 2.576 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.282 -0.503 3.310 1.00 0.00 C ATOM 0 H THR A 97 104.893 2.225 0.736 1.00 0.00 H new ATOM 0 HA THR A 97 106.101 2.226 3.344 1.00 0.00 H new ATOM 0 HB THR A 97 105.751 -0.001 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.819 -0.386 2.536 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.834 -1.495 3.261 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.347 -0.575 3.091 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.144 -0.092 4.310 1.00 0.00 H new ATOM 1581 N LEU A 98 108.078 1.638 0.771 1.00 0.00 N ATOM 1582 CA LEU A 98 109.524 1.524 0.410 1.00 0.00 C ATOM 1583 C LEU A 98 110.308 2.791 0.799 1.00 0.00 C ATOM 1584 O LEU A 98 111.360 2.710 1.400 1.00 0.00 O ATOM 1585 CB LEU A 98 109.659 1.310 -1.102 1.00 0.00 C ATOM 1586 CG LEU A 98 109.042 -0.034 -1.515 1.00 0.00 C ATOM 1587 CD1 LEU A 98 109.059 -0.140 -3.044 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.843 -1.205 -0.910 1.00 0.00 C ATOM 0 H LEU A 98 107.430 1.640 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 98 109.937 0.677 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 98 109.165 2.122 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.711 1.336 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 98 108.018 -0.086 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.623 -1.092 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 98 108.479 0.678 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.087 -0.082 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.392 -2.150 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.872 -1.164 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.832 -1.130 0.177 1.00 0.00 H new ATOM 1600 N ARG A 99 109.835 3.956 0.429 1.00 0.00 N ATOM 1601 CA ARG A 99 110.599 5.207 0.747 1.00 0.00 C ATOM 1602 C ARG A 99 110.798 5.402 2.260 1.00 0.00 C ATOM 1603 O ARG A 99 111.851 5.828 2.690 1.00 0.00 O ATOM 1604 CB ARG A 99 109.889 6.429 0.142 1.00 0.00 C ATOM 1605 CG ARG A 99 108.566 6.696 0.862 1.00 0.00 C ATOM 1606 CD ARG A 99 107.856 7.874 0.195 1.00 0.00 C ATOM 1607 NE ARG A 99 107.533 7.517 -1.216 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.795 8.313 -1.939 1.00 0.00 C ATOM 1609 NH1 ARG A 99 105.516 8.413 -1.701 1.00 0.00 N ATOM 1610 NH2 ARG A 99 107.337 9.006 -2.903 1.00 0.00 N ATOM 0 H ARG A 99 108.960 4.097 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 99 111.589 5.104 0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.533 7.305 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.704 6.260 -0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.934 5.809 0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.749 6.915 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.944 8.119 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.491 8.760 0.222 1.00 0.00 H new ATOM 0 HE ARG A 99 107.890 6.649 -1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 99 105.093 7.869 -0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 99 104.939 9.036 -2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.336 8.925 -3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.761 9.629 -3.469 1.00 0.00 H new ATOM 1624 N THR A 100 109.818 5.117 3.077 1.00 0.00 N ATOM 1625 CA THR A 100 110.022 5.328 4.544 1.00 0.00 C ATOM 1626 C THR A 100 110.982 4.269 5.103 1.00 0.00 C ATOM 1627 O THR A 100 111.890 4.576 5.850 1.00 0.00 O ATOM 1628 CB THR A 100 108.673 5.272 5.286 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.811 5.908 6.549 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.230 3.823 5.499 1.00 0.00 C ATOM 0 H THR A 100 108.905 4.755 2.803 1.00 0.00 H new ATOM 0 HA THR A 100 110.461 6.314 4.697 1.00 0.00 H new ATOM 0 HB THR A 100 107.921 5.782 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.955 5.877 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.275 3.808 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.120 3.330 4.533 1.00 0.00 H new ATOM 0 HG23 THR A 100 108.979 3.297 6.091 1.00 0.00 H new ATOM 1638 N GLN A 101 110.786 3.026 4.757 1.00 0.00 N ATOM 1639 CA GLN A 101 111.686 1.956 5.279 1.00 0.00 C ATOM 1640 C GLN A 101 113.125 2.231 4.839 1.00 0.00 C ATOM 1641 O GLN A 101 114.065 2.087 5.603 1.00 0.00 O ATOM 1642 CB GLN A 101 111.242 0.603 4.719 1.00 0.00 C ATOM 1643 CG GLN A 101 109.908 0.201 5.348 1.00 0.00 C ATOM 1644 CD GLN A 101 109.389 -1.068 4.672 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.573 -1.259 3.486 1.00 0.00 O ATOM 1646 NE2 GLN A 101 108.746 -1.953 5.383 1.00 0.00 N ATOM 0 H GLN A 101 110.043 2.704 4.136 1.00 0.00 H new ATOM 0 HA GLN A 101 111.634 1.942 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.142 0.662 3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.997 -0.154 4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.034 0.031 6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.183 1.008 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.591 -1.793 6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 101 108.398 -2.805 4.943 1.00 0.00 H new ATOM 1655 N TYR A 102 113.304 2.627 3.612 1.00 0.00 N ATOM 1656 CA TYR A 102 114.675 2.908 3.113 1.00 0.00 C ATOM 1657 C TYR A 102 115.284 4.015 3.970 1.00 0.00 C ATOM 1658 O TYR A 102 116.389 3.910 4.459 1.00 0.00 O ATOM 1659 CB TYR A 102 114.592 3.380 1.659 1.00 0.00 C ATOM 1660 CG TYR A 102 115.975 3.418 1.039 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.876 4.436 1.375 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.354 2.432 0.120 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.148 4.461 0.790 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.624 2.463 -0.465 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.519 3.479 -0.127 1.00 0.00 C ATOM 1666 OH TYR A 102 119.770 3.522 -0.703 1.00 0.00 O ATOM 0 H TYR A 102 112.557 2.768 2.932 1.00 0.00 H new ATOM 0 HA TYR A 102 115.290 2.010 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.948 2.711 1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.139 4.371 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.591 5.200 2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.662 1.644 -0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.844 5.244 1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.911 1.703 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 102 120.135 4.428 -0.625 1.00 0.00 H new ATOM 1676 N MET A 103 114.567 5.083 4.150 1.00 0.00 N ATOM 1677 CA MET A 103 115.097 6.205 4.963 1.00 0.00 C ATOM 1678 C MET A 103 115.323 5.750 6.405 1.00 0.00 C ATOM 1679 O MET A 103 116.156 6.285 7.109 1.00 0.00 O ATOM 1680 CB MET A 103 114.106 7.370 4.931 1.00 0.00 C ATOM 1681 CG MET A 103 114.093 7.981 3.527 1.00 0.00 C ATOM 1682 SD MET A 103 112.977 9.409 3.497 1.00 0.00 S ATOM 1683 CE MET A 103 113.973 10.531 4.516 1.00 0.00 C ATOM 0 H MET A 103 113.633 5.228 3.767 1.00 0.00 H new ATOM 0 HA MET A 103 116.050 6.530 4.547 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.108 7.022 5.198 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.388 8.124 5.666 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.100 8.287 3.243 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.769 7.238 2.799 1.00 0.00 H new ATOM 0 HE1 MET A 103 114.041 11.503 4.027 1.00 0.00 H new ATOM 0 HE2 MET A 103 113.504 10.648 5.493 1.00 0.00 H new ATOM 0 HE3 MET A 103 114.973 10.117 4.641 1.00 0.00 H new ATOM 1693 N LYS A 104 114.569 4.792 6.867 1.00 0.00 N ATOM 1694 CA LYS A 104 114.731 4.345 8.274 1.00 0.00 C ATOM 1695 C LYS A 104 116.161 3.822 8.534 1.00 0.00 C ATOM 1696 O LYS A 104 116.719 4.075 9.583 1.00 0.00 O ATOM 1697 CB LYS A 104 113.709 3.240 8.569 1.00 0.00 C ATOM 1698 CG LYS A 104 113.467 3.126 10.083 1.00 0.00 C ATOM 1699 CD LYS A 104 112.676 4.356 10.598 1.00 0.00 C ATOM 1700 CE LYS A 104 111.832 3.974 11.819 1.00 0.00 C ATOM 1701 NZ LYS A 104 112.727 3.688 12.976 1.00 0.00 N ATOM 0 H LYS A 104 113.851 4.303 6.332 1.00 0.00 H new ATOM 0 HA LYS A 104 114.562 5.197 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.770 3.458 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.070 2.288 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 104 112.914 2.212 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.421 3.054 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 104 113.367 5.157 10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.031 4.739 9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.147 4.784 12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 104 111.222 3.099 11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 112.152 3.495 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 113.317 2.858 12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 113.338 4.511 13.154 1.00 0.00 H new ATOM 1715 N TYR A 105 116.765 3.090 7.613 1.00 0.00 N ATOM 1716 CA TYR A 105 118.161 2.568 7.878 1.00 0.00 C ATOM 1717 C TYR A 105 119.046 2.592 6.623 1.00 0.00 C ATOM 1718 O TYR A 105 120.224 2.304 6.709 1.00 0.00 O ATOM 1719 CB TYR A 105 118.093 1.114 8.355 1.00 0.00 C ATOM 1720 CG TYR A 105 117.317 1.016 9.642 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.954 1.249 10.867 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.958 0.691 9.610 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.228 1.157 12.059 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.231 0.599 10.799 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.864 0.832 12.026 1.00 0.00 C ATOM 1726 OH TYR A 105 115.148 0.741 13.202 1.00 0.00 O ATOM 0 H TYR A 105 116.365 2.835 6.710 1.00 0.00 H new ATOM 0 HA TYR A 105 118.595 3.222 8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.621 0.496 7.591 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.101 0.726 8.501 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.004 1.499 10.891 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.469 0.511 8.664 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.718 1.336 13.005 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.181 0.348 10.772 1.00 0.00 H new ATOM 0 HH TYR A 105 114.217 0.509 13.001 1.00 0.00 H new ATOM 1736 N LEU A 106 118.514 2.883 5.459 1.00 0.00 N ATOM 1737 CA LEU A 106 119.367 2.855 4.217 1.00 0.00 C ATOM 1738 C LEU A 106 119.764 4.266 3.753 1.00 0.00 C ATOM 1739 O LEU A 106 120.678 4.413 2.967 1.00 0.00 O ATOM 1740 CB LEU A 106 118.598 2.136 3.095 1.00 0.00 C ATOM 1741 CG LEU A 106 118.632 0.604 3.314 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.415 -0.048 2.639 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.919 0.012 2.708 1.00 0.00 C ATOM 0 H LEU A 106 117.537 3.137 5.311 1.00 0.00 H new ATOM 0 HA LEU A 106 120.287 2.321 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.565 2.484 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.038 2.382 2.129 1.00 0.00 H new ATOM 0 HG LEU A 106 118.608 0.405 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.445 -1.126 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.499 0.356 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.436 0.163 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.934 -1.066 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.947 0.221 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.788 0.462 3.189 1.00 0.00 H new ATOM 1755 N TYR A 107 119.120 5.310 4.211 1.00 0.00 N ATOM 1756 CA TYR A 107 119.547 6.665 3.739 1.00 0.00 C ATOM 1757 C TYR A 107 120.927 7.026 4.324 1.00 0.00 C ATOM 1758 O TYR A 107 121.726 7.639 3.643 1.00 0.00 O ATOM 1759 CB TYR A 107 118.497 7.744 4.076 1.00 0.00 C ATOM 1760 CG TYR A 107 119.096 9.116 3.871 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.087 9.694 2.598 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.666 9.802 4.950 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.649 10.959 2.399 1.00 0.00 C ATOM 1764 CE2 TYR A 107 120.227 11.069 4.752 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.219 11.648 3.476 1.00 0.00 C ATOM 1766 OH TYR A 107 120.775 12.896 3.281 1.00 0.00 O ATOM 0 H TYR A 107 118.342 5.289 4.870 1.00 0.00 H new ATOM 0 HA TYR A 107 119.631 6.631 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.619 7.621 3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.164 7.632 5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.646 9.163 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.673 9.355 5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.643 11.404 1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.666 11.601 5.583 1.00 0.00 H new ATOM 0 HH TYR A 107 121.125 13.235 4.131 1.00 0.00 H new ATOM 1776 N PRO A 108 121.240 6.654 5.548 1.00 0.00 N ATOM 1777 CA PRO A 108 122.578 6.982 6.110 1.00 0.00 C ATOM 1778 C PRO A 108 123.656 6.089 5.483 1.00 0.00 C ATOM 1779 O PRO A 108 124.781 6.496 5.270 1.00 0.00 O ATOM 1780 CB PRO A 108 122.395 6.675 7.614 1.00 0.00 C ATOM 1781 CG PRO A 108 120.953 6.171 7.833 1.00 0.00 C ATOM 1782 CD PRO A 108 120.328 5.903 6.455 1.00 0.00 C ATOM 0 HA PRO A 108 122.900 8.006 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.114 5.922 7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.579 7.569 8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.955 5.262 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.369 6.912 8.378 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.303 4.839 6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.302 6.267 6.395 1.00 0.00 H new ATOM 1790 N TYR A 109 123.302 4.865 5.201 1.00 0.00 N ATOM 1791 CA TYR A 109 124.271 3.911 4.599 1.00 0.00 C ATOM 1792 C TYR A 109 124.620 4.349 3.174 1.00 0.00 C ATOM 1793 O TYR A 109 125.775 4.448 2.811 1.00 0.00 O ATOM 1794 CB TYR A 109 123.629 2.516 4.575 1.00 0.00 C ATOM 1795 CG TYR A 109 124.694 1.457 4.416 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.660 1.291 5.416 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.715 0.636 3.278 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.647 0.311 5.281 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.704 -0.345 3.145 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.669 -0.506 4.146 1.00 0.00 C ATOM 1801 OH TYR A 109 127.643 -1.474 4.017 1.00 0.00 O ATOM 0 H TYR A 109 122.371 4.483 5.365 1.00 0.00 H new ATOM 0 HA TYR A 109 125.187 3.890 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.072 2.347 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.914 2.450 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.642 1.921 6.293 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.970 0.761 2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.392 0.185 6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.723 -0.978 2.270 1.00 0.00 H new ATOM 0 HH TYR A 109 127.516 -1.955 3.173 1.00 0.00 H new ATOM 1811 N GLU A 110 123.631 4.610 2.363 1.00 0.00 N ATOM 1812 CA GLU A 110 123.903 5.037 0.967 1.00 0.00 C ATOM 1813 C GLU A 110 124.807 6.272 0.981 1.00 0.00 C ATOM 1814 O GLU A 110 125.810 6.332 0.299 1.00 0.00 O ATOM 1815 CB GLU A 110 122.571 5.387 0.301 1.00 0.00 C ATOM 1816 CG GLU A 110 122.797 5.723 -1.172 1.00 0.00 C ATOM 1817 CD GLU A 110 121.450 5.762 -1.896 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.435 5.731 -1.220 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.454 5.826 -3.114 1.00 0.00 O ATOM 0 H GLU A 110 122.644 4.545 2.611 1.00 0.00 H new ATOM 0 HA GLU A 110 124.399 4.237 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.879 4.549 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 110 122.112 6.235 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.300 6.686 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.448 4.978 -1.631 1.00 0.00 H new ATOM 1826 N CYS A 111 124.450 7.260 1.753 1.00 0.00 N ATOM 1827 CA CYS A 111 125.271 8.501 1.822 1.00 0.00 C ATOM 1828 C CYS A 111 126.652 8.214 2.423 1.00 0.00 C ATOM 1829 O CYS A 111 127.654 8.734 1.976 1.00 0.00 O ATOM 1830 CB CYS A 111 124.549 9.533 2.688 1.00 0.00 C ATOM 1831 SG CYS A 111 125.539 11.045 2.778 1.00 0.00 S ATOM 0 H CYS A 111 123.618 7.261 2.344 1.00 0.00 H new ATOM 0 HA CYS A 111 125.407 8.884 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.567 9.753 2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.385 9.133 3.689 1.00 0.00 H new ATOM 0 HG CYS A 111 125.038 11.940 1.979 1.00 0.00 H new ATOM 1837 N GLU A 112 126.723 7.415 3.448 1.00 0.00 N ATOM 1838 CA GLU A 112 128.051 7.150 4.070 1.00 0.00 C ATOM 1839 C GLU A 112 128.967 6.439 3.072 1.00 0.00 C ATOM 1840 O GLU A 112 130.101 6.829 2.873 1.00 0.00 O ATOM 1841 CB GLU A 112 127.867 6.268 5.310 1.00 0.00 C ATOM 1842 CG GLU A 112 129.200 6.150 6.056 1.00 0.00 C ATOM 1843 CD GLU A 112 129.017 5.284 7.304 1.00 0.00 C ATOM 1844 OE1 GLU A 112 127.896 4.876 7.560 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.002 5.042 7.982 1.00 0.00 O ATOM 0 H GLU A 112 125.931 6.938 3.879 1.00 0.00 H new ATOM 0 HA GLU A 112 128.505 8.099 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.108 6.697 5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.513 5.279 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.955 5.711 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.559 7.140 6.338 1.00 0.00 H new ATOM 1852 N LYS A 113 128.498 5.390 2.459 1.00 0.00 N ATOM 1853 CA LYS A 113 129.356 4.646 1.495 1.00 0.00 C ATOM 1854 C LYS A 113 129.543 5.417 0.175 1.00 0.00 C ATOM 1855 O LYS A 113 130.616 5.401 -0.395 1.00 0.00 O ATOM 1856 CB LYS A 113 128.726 3.277 1.211 1.00 0.00 C ATOM 1857 CG LYS A 113 128.809 2.385 2.464 1.00 0.00 C ATOM 1858 CD LYS A 113 130.210 1.765 2.599 1.00 0.00 C ATOM 1859 CE LYS A 113 130.188 0.702 3.700 1.00 0.00 C ATOM 1860 NZ LYS A 113 129.924 1.354 5.016 1.00 0.00 N ATOM 0 H LYS A 113 127.558 5.015 2.583 1.00 0.00 H new ATOM 0 HA LYS A 113 130.341 4.524 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.685 3.402 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.241 2.797 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 113 128.580 2.974 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 113 128.061 1.595 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.516 1.319 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.941 2.538 2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 113 129.418 -0.040 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 113 131.141 0.173 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 130.577 0.972 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 130.067 2.380 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 128.944 1.164 5.307 1.00 0.00 H new ATOM 1874 N LYS A 114 128.512 6.059 -0.340 1.00 0.00 N ATOM 1875 CA LYS A 114 128.650 6.787 -1.655 1.00 0.00 C ATOM 1876 C LYS A 114 128.514 8.309 -1.482 1.00 0.00 C ATOM 1877 O LYS A 114 128.997 9.066 -2.301 1.00 0.00 O ATOM 1878 CB LYS A 114 127.560 6.294 -2.613 1.00 0.00 C ATOM 1879 CG LYS A 114 127.650 4.768 -2.784 1.00 0.00 C ATOM 1880 CD LYS A 114 128.912 4.386 -3.573 1.00 0.00 C ATOM 1881 CE LYS A 114 128.782 2.945 -4.073 1.00 0.00 C ATOM 1882 NZ LYS A 114 130.003 2.572 -4.841 1.00 0.00 N ATOM 0 H LYS A 114 127.588 6.111 0.088 1.00 0.00 H new ATOM 0 HA LYS A 114 129.643 6.580 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.577 6.566 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.669 6.782 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 114 127.667 4.287 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 114 126.765 4.402 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 114 129.047 5.064 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 114 129.794 4.485 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 114 128.649 2.267 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 114 127.899 2.846 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 129.914 1.593 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 130.111 3.212 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 130.838 2.651 -4.226 1.00 0.00 H new ATOM 1896 N ASN A 115 127.872 8.776 -0.445 1.00 0.00 N ATOM 1897 CA ASN A 115 127.738 10.259 -0.272 1.00 0.00 C ATOM 1898 C ASN A 115 127.096 10.867 -1.524 1.00 0.00 C ATOM 1899 O ASN A 115 127.615 11.793 -2.114 1.00 0.00 O ATOM 1900 CB ASN A 115 129.127 10.872 -0.062 1.00 0.00 C ATOM 1901 CG ASN A 115 128.980 12.292 0.492 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.906 12.690 0.896 1.00 0.00 O ATOM 1903 ND2 ASN A 115 130.021 13.078 0.527 1.00 0.00 N ATOM 0 H ASN A 115 127.439 8.208 0.283 1.00 0.00 H new ATOM 0 HA ASN A 115 127.110 10.469 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.706 10.259 0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.673 10.893 -1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 115 129.932 14.026 0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 115 130.923 12.745 0.188 1.00 0.00 H new ATOM 1910 N LEU A 116 125.975 10.341 -1.936 1.00 0.00 N ATOM 1911 CA LEU A 116 125.295 10.867 -3.157 1.00 0.00 C ATOM 1912 C LEU A 116 124.811 12.306 -2.943 1.00 0.00 C ATOM 1913 O LEU A 116 124.872 13.125 -3.839 1.00 0.00 O ATOM 1914 CB LEU A 116 124.076 9.998 -3.461 1.00 0.00 C ATOM 1915 CG LEU A 116 124.507 8.551 -3.705 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.259 7.686 -3.903 1.00 0.00 C ATOM 1917 CD2 LEU A 116 125.403 8.465 -4.955 1.00 0.00 C ATOM 0 H LEU A 116 125.497 9.565 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 116 126.009 10.848 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.373 10.040 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.555 10.383 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 116 125.074 8.193 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.557 6.652 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.635 7.738 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.696 8.051 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.703 7.430 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.851 8.823 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 116 126.290 9.081 -4.810 1.00 0.00 H new ATOM 1929 N SER A 117 124.290 12.615 -1.784 1.00 0.00 N ATOM 1930 CA SER A 117 123.760 13.995 -1.552 1.00 0.00 C ATOM 1931 C SER A 117 123.891 14.385 -0.073 1.00 0.00 C ATOM 1932 O SER A 117 124.522 13.702 0.708 1.00 0.00 O ATOM 1933 CB SER A 117 122.283 14.016 -1.965 1.00 0.00 C ATOM 1934 OG SER A 117 121.692 12.768 -1.639 1.00 0.00 O ATOM 0 H SER A 117 124.208 11.978 -0.992 1.00 0.00 H new ATOM 0 HA SER A 117 124.333 14.711 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.761 14.824 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 117 122.194 14.206 -3.035 1.00 0.00 H new ATOM 0 HG SER A 117 121.362 12.339 -2.456 1.00 0.00 H new ATOM 1940 N THR A 118 123.289 15.492 0.305 1.00 0.00 N ATOM 1941 CA THR A 118 123.354 15.965 1.723 1.00 0.00 C ATOM 1942 C THR A 118 121.923 16.286 2.186 1.00 0.00 C ATOM 1943 O THR A 118 121.082 16.620 1.380 1.00 0.00 O ATOM 1944 CB THR A 118 124.207 17.241 1.775 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.893 18.057 0.657 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.692 16.875 1.735 1.00 0.00 C ATOM 0 H THR A 118 122.750 16.093 -0.319 1.00 0.00 H new ATOM 0 HA THR A 118 123.794 15.204 2.368 1.00 0.00 H new ATOM 0 HB THR A 118 123.996 17.780 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.434 18.874 0.686 1.00 0.00 H new ATOM 0 HG21 THR A 118 126.292 17.784 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.935 16.245 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.909 16.335 0.814 1.00 0.00 H new ATOM 1954 N PRO A 119 121.628 16.188 3.462 1.00 0.00 N ATOM 1955 CA PRO A 119 120.249 16.487 3.939 1.00 0.00 C ATOM 1956 C PRO A 119 119.745 17.848 3.428 1.00 0.00 C ATOM 1957 O PRO A 119 118.558 18.110 3.399 1.00 0.00 O ATOM 1958 CB PRO A 119 120.415 16.472 5.475 1.00 0.00 C ATOM 1959 CG PRO A 119 121.892 16.163 5.807 1.00 0.00 C ATOM 1960 CD PRO A 119 122.613 15.785 4.503 1.00 0.00 C ATOM 0 HA PRO A 119 119.505 15.776 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 119 120.126 17.435 5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.762 15.721 5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 119 122.367 17.030 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.956 15.347 6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.559 16.316 4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.838 14.719 4.458 1.00 0.00 H new ATOM 1968 N ALA A 120 120.640 18.712 3.028 1.00 0.00 N ATOM 1969 CA ALA A 120 120.215 20.051 2.521 1.00 0.00 C ATOM 1970 C ALA A 120 119.447 19.889 1.209 1.00 0.00 C ATOM 1971 O ALA A 120 118.321 20.329 1.072 1.00 0.00 O ATOM 1972 CB ALA A 120 121.452 20.920 2.281 1.00 0.00 C ATOM 0 H ALA A 120 121.647 18.549 3.030 1.00 0.00 H new ATOM 0 HA ALA A 120 119.570 20.526 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 120 121.144 21.898 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.998 21.042 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 120 122.096 20.440 1.545 1.00 0.00 H new ATOM 1978 N GLU A 121 120.051 19.256 0.242 1.00 0.00 N ATOM 1979 CA GLU A 121 119.364 19.060 -1.066 1.00 0.00 C ATOM 1980 C GLU A 121 118.222 18.061 -0.885 1.00 0.00 C ATOM 1981 O GLU A 121 117.270 18.047 -1.640 1.00 0.00 O ATOM 1982 CB GLU A 121 120.368 18.562 -2.123 1.00 0.00 C ATOM 1983 CG GLU A 121 121.426 17.668 -1.481 1.00 0.00 C ATOM 1984 CD GLU A 121 122.300 17.055 -2.578 1.00 0.00 C ATOM 1985 OE1 GLU A 121 121.742 16.517 -3.520 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.511 17.135 -2.456 1.00 0.00 O ATOM 0 H GLU A 121 120.991 18.865 0.301 1.00 0.00 H new ATOM 0 HA GLU A 121 118.954 20.008 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.841 18.010 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.848 19.413 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 121 122.040 18.248 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.949 16.881 -0.897 1.00 0.00 H new ATOM 1993 N LEU A 122 118.296 17.238 0.124 1.00 0.00 N ATOM 1994 CA LEU A 122 117.196 16.262 0.360 1.00 0.00 C ATOM 1995 C LEU A 122 115.914 17.063 0.581 1.00 0.00 C ATOM 1996 O LEU A 122 114.874 16.765 0.029 1.00 0.00 O ATOM 1997 CB LEU A 122 117.506 15.434 1.614 1.00 0.00 C ATOM 1998 CG LEU A 122 116.390 14.410 1.893 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.401 13.300 0.836 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.628 13.787 3.266 1.00 0.00 C ATOM 0 H LEU A 122 119.066 17.199 0.792 1.00 0.00 H new ATOM 0 HA LEU A 122 117.089 15.586 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.456 14.915 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.619 16.097 2.472 1.00 0.00 H new ATOM 0 HG LEU A 122 115.426 14.918 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.606 12.586 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 122 116.242 13.735 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 122 117.363 12.788 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.844 13.059 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.598 13.289 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.613 14.567 4.027 1.00 0.00 H new ATOM 2012 N GLN A 123 115.995 18.096 1.372 1.00 0.00 N ATOM 2013 CA GLN A 123 114.799 18.942 1.620 1.00 0.00 C ATOM 2014 C GLN A 123 114.343 19.508 0.281 1.00 0.00 C ATOM 2015 O GLN A 123 113.166 19.577 -0.011 1.00 0.00 O ATOM 2016 CB GLN A 123 115.171 20.085 2.570 1.00 0.00 C ATOM 2017 CG GLN A 123 113.912 20.851 2.982 1.00 0.00 C ATOM 2018 CD GLN A 123 113.035 19.957 3.860 1.00 0.00 C ATOM 2019 OE1 GLN A 123 113.489 19.431 4.856 1.00 0.00 O ATOM 2020 NE2 GLN A 123 111.787 19.766 3.532 1.00 0.00 N ATOM 0 H GLN A 123 116.842 18.390 1.858 1.00 0.00 H new ATOM 0 HA GLN A 123 114.000 18.357 2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.670 19.687 3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.875 20.760 2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 123 114.185 21.756 3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 123 113.359 21.165 2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 123 111.406 20.208 2.695 1.00 0.00 H new ATOM 0 HE22 GLN A 123 111.192 19.175 4.112 1.00 0.00 H new ATOM 2029 N ALA A 124 115.275 19.896 -0.545 1.00 0.00 N ATOM 2030 CA ALA A 124 114.905 20.436 -1.878 1.00 0.00 C ATOM 2031 C ALA A 124 114.136 19.355 -2.634 1.00 0.00 C ATOM 2032 O ALA A 124 113.163 19.627 -3.308 1.00 0.00 O ATOM 2033 CB ALA A 124 116.169 20.808 -2.656 1.00 0.00 C ATOM 0 H ALA A 124 116.276 19.861 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 124 114.289 21.328 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.892 21.204 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.727 21.564 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.790 19.922 -2.786 1.00 0.00 H new ATOM 2039 N ALA A 125 114.559 18.124 -2.516 1.00 0.00 N ATOM 2040 CA ALA A 125 113.840 17.025 -3.216 1.00 0.00 C ATOM 2041 C ALA A 125 112.446 16.891 -2.602 1.00 0.00 C ATOM 2042 O ALA A 125 111.462 16.724 -3.297 1.00 0.00 O ATOM 2043 CB ALA A 125 114.616 15.710 -3.045 1.00 0.00 C ATOM 0 H ALA A 125 115.368 17.835 -1.967 1.00 0.00 H new ATOM 0 HA ALA A 125 113.757 17.247 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.088 14.906 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.614 15.818 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.698 15.471 -1.985 1.00 0.00 H new ATOM 2049 N ILE A 126 112.350 16.981 -1.301 1.00 0.00 N ATOM 2050 CA ILE A 126 111.017 16.877 -0.645 1.00 0.00 C ATOM 2051 C ILE A 126 110.193 18.128 -0.967 1.00 0.00 C ATOM 2052 O ILE A 126 109.012 18.052 -1.246 1.00 0.00 O ATOM 2053 CB ILE A 126 111.208 16.764 0.867 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.964 15.470 1.188 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.840 16.741 1.551 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.379 15.471 2.661 1.00 0.00 C ATOM 0 H ILE A 126 113.137 17.122 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 126 110.493 15.995 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 126 111.780 17.618 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.333 14.606 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.845 15.384 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.974 16.660 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.302 17.660 1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.268 15.886 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 126 112.917 14.550 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 126 113.026 16.326 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.491 15.537 3.289 1.00 0.00 H new