USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=22 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 180:sc= 0 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.49) USER MOD Set 2.1: A 44 ASN : amide:sc= -3.89! C(o=-6.9!,f=-5.6!) USER MOD Set 2.2: A 101 GLN : amide:sc= -3! C(o=-6.9!,f=-7!) USER MOD Set 3.1: A 60 TYR OH : rot 21:sc= -1.21! USER MOD Set 3.2: A 113 LYS NZ :NH3+ -118:sc= -3.31! (180deg=-5.22!) USER MOD Set 3.3: A 114 LYS NZ :NH3+ -107:sc= -0.567! (180deg=-1.41!) USER MOD Single : A 9 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -4.27 K(o=-4.3,f=-2.1) USER MOD Single : A 15 GLN : amide:sc= -13! C(o=-13!,f=-15!) USER MOD Single : A 17 TYR OH : rot 147:sc= 0.819 USER MOD Single : A 20 ASN : amide:sc= 0.125 K(o=0.13,f=-7.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 102:sc= 1.06 USER MOD Single : A 36 MET CE :methyl -179:sc= -3.38 (180deg=-3.42) USER MOD Single : A 37 GLN : amide:sc= -0.0533 K(o=-0.053,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 52 SER OG : rot -28:sc= 0.179 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.15 K(o=-2.2,f=-0.55) USER MOD Single : A 74 ASN : amide:sc= -6.68! C(o=-6.7!,f=-21!) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0691) USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -0.185 (180deg=-0.937) USER MOD Single : A 79 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.89) 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 102 TYR OH : rot 178:sc= -0.158 USER MOD Single : A 103 MET CE :methyl 144:sc= -0.132 (180deg=-0.568) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.23) USER MOD Single : A 105 TYR OH : rot 180:sc= 0.182 USER MOD Single : A 107 TYR OH : rot 30:sc= -0.603 USER MOD Single : A 109 TYR OH : rot 180:sc= -2.97! USER MOD Single : A 117 SER OG : rot -74:sc= -4.48! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 123 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.332 -14.716 14.214 1.00 0.00 N ATOM 79 CA GLU A 8 110.815 -14.850 12.823 1.00 0.00 C ATOM 80 C GLU A 8 111.568 -13.868 11.925 1.00 0.00 C ATOM 81 O GLU A 8 111.983 -14.199 10.836 1.00 0.00 O ATOM 82 CB GLU A 8 109.318 -14.532 12.795 1.00 0.00 C ATOM 83 CG GLU A 8 108.793 -14.672 11.365 1.00 0.00 C ATOM 84 CD GLU A 8 107.269 -14.545 11.364 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.708 -14.368 12.431 1.00 0.00 O ATOM 86 OE2 GLU A 8 106.689 -14.630 10.293 1.00 0.00 O ATOM 0 HA GLU A 8 110.965 -15.869 12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.779 -15.208 13.459 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.144 -13.520 13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.233 -13.904 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.088 -15.636 10.951 1.00 0.00 H new ATOM 93 N GLN A 9 111.770 -12.667 12.383 1.00 0.00 N ATOM 94 CA GLN A 9 112.525 -11.677 11.568 1.00 0.00 C ATOM 95 C GLN A 9 113.997 -12.113 11.519 1.00 0.00 C ATOM 96 O GLN A 9 114.710 -11.890 10.557 1.00 0.00 O ATOM 97 CB GLN A 9 112.411 -10.297 12.222 1.00 0.00 C ATOM 98 CG GLN A 9 112.893 -9.222 11.248 1.00 0.00 C ATOM 99 CD GLN A 9 112.763 -7.845 11.903 1.00 0.00 C ATOM 100 OE1 GLN A 9 112.090 -7.696 12.904 1.00 0.00 O ATOM 101 NE2 GLN A 9 113.379 -6.824 11.373 1.00 0.00 N ATOM 0 H GLN A 9 111.445 -12.327 13.288 1.00 0.00 H new ATOM 0 HA GLN A 9 112.121 -11.626 10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 9 111.377 -10.104 12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.006 -10.267 13.135 1.00 0.00 H new ATOM 0 HG2 GLN A 9 113.930 -9.407 10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 9 112.305 -9.257 10.331 1.00 0.00 H new ATOM 0 HE21 GLN A 9 113.944 -6.949 10.533 1.00 0.00 H new ATOM 0 HE22 GLN A 9 113.296 -5.901 11.799 1.00 0.00 H new ATOM 110 N PHE A 10 114.454 -12.721 12.576 1.00 0.00 N ATOM 111 CA PHE A 10 115.873 -13.170 12.649 1.00 0.00 C ATOM 112 C PHE A 10 116.159 -14.247 11.590 1.00 0.00 C ATOM 113 O PHE A 10 117.096 -14.136 10.820 1.00 0.00 O ATOM 114 CB PHE A 10 116.102 -13.751 14.044 1.00 0.00 C ATOM 115 CG PHE A 10 117.561 -14.082 14.260 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.527 -13.066 14.231 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.944 -15.410 14.499 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.876 -13.381 14.437 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.292 -15.722 14.705 1.00 0.00 C ATOM 120 CZ PHE A 10 120.259 -14.708 14.671 1.00 0.00 C ATOM 0 H PHE A 10 113.897 -12.929 13.405 1.00 0.00 H new ATOM 0 HA PHE A 10 116.539 -12.328 12.460 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.772 -13.036 14.798 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.499 -14.650 14.171 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.231 -12.043 14.050 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.199 -16.191 14.524 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.622 -12.600 14.415 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.588 -16.744 14.890 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.300 -14.950 14.825 1.00 0.00 H new ATOM 130 N LYS A 11 115.374 -15.292 11.535 1.00 0.00 N ATOM 131 CA LYS A 11 115.647 -16.345 10.516 1.00 0.00 C ATOM 132 C LYS A 11 115.520 -15.739 9.116 1.00 0.00 C ATOM 133 O LYS A 11 116.172 -16.165 8.186 1.00 0.00 O ATOM 134 CB LYS A 11 114.695 -17.538 10.678 1.00 0.00 C ATOM 135 CG LYS A 11 113.271 -17.170 10.264 1.00 0.00 C ATOM 136 CD LYS A 11 112.348 -18.353 10.566 1.00 0.00 C ATOM 137 CE LYS A 11 110.993 -18.133 9.895 1.00 0.00 C ATOM 138 NZ LYS A 11 110.023 -19.146 10.401 1.00 0.00 N ATOM 0 H LYS A 11 114.570 -15.459 12.140 1.00 0.00 H new ATOM 0 HA LYS A 11 116.661 -16.717 10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.048 -18.373 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.700 -17.872 11.716 1.00 0.00 H new ATOM 0 HG2 LYS A 11 112.938 -16.284 10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.238 -16.927 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.797 -19.278 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.218 -18.460 11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 11 110.629 -17.127 10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.092 -18.216 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 109.099 -18.999 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.371 -20.101 10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 109.922 -19.045 11.431 1.00 0.00 H new ATOM 152 N GLN A 12 114.699 -14.735 8.959 1.00 0.00 N ATOM 153 CA GLN A 12 114.562 -14.101 7.614 1.00 0.00 C ATOM 154 C GLN A 12 115.935 -13.565 7.202 1.00 0.00 C ATOM 155 O GLN A 12 116.268 -13.475 6.039 1.00 0.00 O ATOM 156 CB GLN A 12 113.533 -12.966 7.663 1.00 0.00 C ATOM 157 CG GLN A 12 112.118 -13.555 7.647 1.00 0.00 C ATOM 158 CD GLN A 12 111.089 -12.423 7.695 1.00 0.00 C ATOM 159 OE1 GLN A 12 109.943 -12.613 7.336 1.00 0.00 O ATOM 160 NE2 GLN A 12 111.447 -11.250 8.141 1.00 0.00 N ATOM 0 H GLN A 12 114.122 -14.329 9.696 1.00 0.00 H new ATOM 0 HA GLN A 12 114.213 -14.833 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.679 -12.368 8.562 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.670 -12.300 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.973 -14.154 6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 12 111.981 -14.221 8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 12 112.408 -11.091 8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 12 110.765 -10.493 8.188 1.00 0.00 H new ATOM 169 N VAL A 13 116.757 -13.225 8.148 1.00 0.00 N ATOM 170 CA VAL A 13 118.115 -12.744 7.780 1.00 0.00 C ATOM 171 C VAL A 13 118.899 -13.939 7.239 1.00 0.00 C ATOM 172 O VAL A 13 119.645 -13.831 6.288 1.00 0.00 O ATOM 173 CB VAL A 13 118.830 -12.172 9.007 1.00 0.00 C ATOM 174 CG1 VAL A 13 120.285 -11.854 8.650 1.00 0.00 C ATOM 175 CG2 VAL A 13 118.126 -10.895 9.466 1.00 0.00 C ATOM 0 H VAL A 13 116.554 -13.257 9.147 1.00 0.00 H new ATOM 0 HA VAL A 13 118.043 -11.955 7.031 1.00 0.00 H new ATOM 0 HB VAL A 13 118.805 -12.906 9.812 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.793 -11.447 9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.789 -12.766 8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.310 -11.123 7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 13 118.638 -10.491 10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 13 118.145 -10.160 8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 13 117.092 -11.123 9.725 1.00 0.00 H new ATOM 185 N ARG A 14 118.739 -15.081 7.845 1.00 0.00 N ATOM 186 CA ARG A 14 119.479 -16.286 7.369 1.00 0.00 C ATOM 187 C ARG A 14 119.169 -16.550 5.892 1.00 0.00 C ATOM 188 O ARG A 14 120.065 -16.761 5.100 1.00 0.00 O ATOM 189 CB ARG A 14 119.049 -17.506 8.192 1.00 0.00 C ATOM 190 CG ARG A 14 119.372 -17.291 9.678 1.00 0.00 C ATOM 191 CD ARG A 14 120.859 -17.552 9.948 1.00 0.00 C ATOM 192 NE ARG A 14 121.093 -17.574 11.421 1.00 0.00 N ATOM 193 CZ ARG A 14 120.910 -18.678 12.098 1.00 0.00 C ATOM 194 NH1 ARG A 14 121.828 -19.606 12.092 1.00 0.00 N ATOM 195 NH2 ARG A 14 119.810 -18.853 12.778 1.00 0.00 N ATOM 0 H ARG A 14 118.129 -15.234 8.648 1.00 0.00 H new ATOM 0 HA ARG A 14 120.548 -16.111 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 14 117.980 -17.678 8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 14 119.560 -18.397 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 14 119.117 -16.272 9.968 1.00 0.00 H new ATOM 0 HG3 ARG A 14 118.763 -17.958 10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 14 121.160 -18.502 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 14 121.467 -16.776 9.483 1.00 0.00 H new ATOM 0 HE ARG A 14 121.396 -16.727 11.901 1.00 0.00 H new ATOM 0 HH11 ARG A 14 122.687 -19.470 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 14 121.686 -20.467 12.620 1.00 0.00 H new ATOM 0 HH21 ARG A 14 119.092 -18.128 12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 14 119.668 -19.714 13.306 1.00 0.00 H new ATOM 209 N GLN A 15 117.920 -16.559 5.505 1.00 0.00 N ATOM 210 CA GLN A 15 117.610 -16.834 4.075 1.00 0.00 C ATOM 211 C GLN A 15 118.242 -15.760 3.180 1.00 0.00 C ATOM 212 O GLN A 15 118.521 -16.011 2.023 1.00 0.00 O ATOM 213 CB GLN A 15 116.092 -16.927 3.838 1.00 0.00 C ATOM 214 CG GLN A 15 115.378 -15.718 4.422 1.00 0.00 C ATOM 215 CD GLN A 15 115.552 -14.506 3.503 1.00 0.00 C ATOM 216 OE1 GLN A 15 116.028 -14.633 2.392 1.00 0.00 O ATOM 217 NE2 GLN A 15 115.173 -13.329 3.918 1.00 0.00 N ATOM 0 H GLN A 15 117.114 -16.391 6.108 1.00 0.00 H new ATOM 0 HA GLN A 15 118.039 -17.801 3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.890 -16.993 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.704 -17.839 4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.318 -15.939 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.777 -15.494 5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.773 -13.221 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 15 115.276 -12.516 3.310 1.00 0.00 H new ATOM 226 N LEU A 16 118.491 -14.569 3.679 1.00 0.00 N ATOM 227 CA LEU A 16 119.120 -13.541 2.793 1.00 0.00 C ATOM 228 C LEU A 16 120.552 -13.983 2.446 1.00 0.00 C ATOM 229 O LEU A 16 120.978 -13.890 1.313 1.00 0.00 O ATOM 230 CB LEU A 16 119.142 -12.172 3.509 1.00 0.00 C ATOM 231 CG LEU A 16 117.823 -11.393 3.239 1.00 0.00 C ATOM 232 CD1 LEU A 16 117.414 -10.585 4.483 1.00 0.00 C ATOM 233 CD2 LEU A 16 118.011 -10.431 2.054 1.00 0.00 C ATOM 0 H LEU A 16 118.292 -14.272 4.634 1.00 0.00 H new ATOM 0 HA LEU A 16 118.540 -13.443 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.272 -12.318 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.994 -11.587 3.162 1.00 0.00 H new ATOM 0 HG LEU A 16 117.041 -12.115 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 16 116.489 -10.045 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 16 117.261 -11.263 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.202 -9.874 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 16 117.082 -9.891 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 16 118.805 -9.721 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 16 118.280 -10.999 1.163 1.00 0.00 H new ATOM 245 N TYR A 17 121.293 -14.479 3.397 1.00 0.00 N ATOM 246 CA TYR A 17 122.681 -14.935 3.089 1.00 0.00 C ATOM 247 C TYR A 17 122.629 -16.202 2.228 1.00 0.00 C ATOM 248 O TYR A 17 123.461 -16.416 1.369 1.00 0.00 O ATOM 249 CB TYR A 17 123.432 -15.229 4.391 1.00 0.00 C ATOM 250 CG TYR A 17 123.831 -13.930 5.055 1.00 0.00 C ATOM 251 CD1 TYR A 17 122.962 -13.303 5.956 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.082 -13.361 4.779 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.343 -12.108 6.578 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.461 -12.165 5.398 1.00 0.00 C ATOM 255 CZ TYR A 17 124.592 -11.539 6.300 1.00 0.00 C ATOM 256 OH TYR A 17 124.966 -10.362 6.915 1.00 0.00 O ATOM 0 H TYR A 17 121.002 -14.589 4.368 1.00 0.00 H new ATOM 0 HA TYR A 17 123.203 -14.149 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.801 -15.813 5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.318 -15.829 4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 17 121.998 -13.741 6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.754 -13.847 4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.673 -11.624 7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.423 -11.725 5.180 1.00 0.00 H new ATOM 0 HH TYR A 17 125.935 -10.364 7.063 1.00 0.00 H new ATOM 266 N GLU A 18 121.664 -17.050 2.460 1.00 0.00 N ATOM 267 CA GLU A 18 121.565 -18.313 1.661 1.00 0.00 C ATOM 268 C GLU A 18 121.268 -17.998 0.189 1.00 0.00 C ATOM 269 O GLU A 18 121.243 -18.883 -0.643 1.00 0.00 O ATOM 270 CB GLU A 18 120.432 -19.179 2.215 1.00 0.00 C ATOM 271 CG GLU A 18 120.783 -19.644 3.628 1.00 0.00 C ATOM 272 CD GLU A 18 119.646 -20.511 4.176 1.00 0.00 C ATOM 273 OE1 GLU A 18 118.603 -20.553 3.544 1.00 0.00 O ATOM 274 OE2 GLU A 18 119.838 -21.116 5.219 1.00 0.00 O ATOM 0 H GLU A 18 120.939 -16.926 3.167 1.00 0.00 H new ATOM 0 HA GLU A 18 122.516 -18.841 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.501 -18.612 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.270 -20.041 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.714 -20.211 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.943 -18.783 4.277 1.00 0.00 H new ATOM 281 N ILE A 19 121.025 -16.759 -0.146 1.00 0.00 N ATOM 282 CA ILE A 19 120.711 -16.432 -1.569 1.00 0.00 C ATOM 283 C ILE A 19 121.837 -16.926 -2.484 1.00 0.00 C ATOM 284 O ILE A 19 121.588 -17.520 -3.515 1.00 0.00 O ATOM 285 CB ILE A 19 120.545 -14.916 -1.731 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.269 -14.473 -1.006 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.440 -14.560 -3.221 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.214 -12.945 -0.948 1.00 0.00 C ATOM 0 H ILE A 19 121.030 -15.966 0.496 1.00 0.00 H new ATOM 0 HA ILE A 19 119.781 -16.929 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 19 121.409 -14.406 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.392 -14.859 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.250 -14.886 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.322 -13.482 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.346 -14.880 -3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.577 -15.065 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.306 -12.633 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 19 120.084 -12.570 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.212 -12.542 -1.961 1.00 0.00 H new ATOM 300 N ASN A 20 123.071 -16.693 -2.131 1.00 0.00 N ATOM 301 CA ASN A 20 124.183 -17.160 -3.001 1.00 0.00 C ATOM 302 C ASN A 20 125.508 -16.977 -2.261 1.00 0.00 C ATOM 303 O ASN A 20 125.568 -16.359 -1.217 1.00 0.00 O ATOM 304 CB ASN A 20 124.188 -16.340 -4.304 1.00 0.00 C ATOM 305 CG ASN A 20 124.868 -17.138 -5.424 1.00 0.00 C ATOM 306 OD1 ASN A 20 125.543 -18.114 -5.169 1.00 0.00 O ATOM 307 ND2 ASN A 20 124.710 -16.758 -6.664 1.00 0.00 N ATOM 0 H ASN A 20 123.355 -16.202 -1.283 1.00 0.00 H new ATOM 0 HA ASN A 20 124.050 -18.214 -3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.166 -16.093 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.712 -15.397 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 20 125.154 -17.282 -7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.143 -15.938 -6.878 1.00 0.00 H new ATOM 314 N ASP A 21 126.570 -17.517 -2.790 1.00 0.00 N ATOM 315 CA ASP A 21 127.896 -17.386 -2.118 1.00 0.00 C ATOM 316 C ASP A 21 128.633 -16.174 -2.686 1.00 0.00 C ATOM 317 O ASP A 21 129.835 -16.051 -2.557 1.00 0.00 O ATOM 318 CB ASP A 21 128.719 -18.651 -2.373 1.00 0.00 C ATOM 319 CG ASP A 21 129.006 -18.784 -3.869 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.389 -18.064 -4.636 1.00 0.00 O ATOM 321 OD2 ASP A 21 129.835 -19.605 -4.223 1.00 0.00 O ATOM 0 H ASP A 21 126.578 -18.046 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 21 127.753 -17.255 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.655 -18.607 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.177 -19.527 -2.017 1.00 0.00 H new ATOM 326 N ASP A 22 127.923 -15.275 -3.313 1.00 0.00 N ATOM 327 CA ASP A 22 128.596 -14.075 -3.884 1.00 0.00 C ATOM 328 C ASP A 22 129.331 -13.329 -2.748 1.00 0.00 C ATOM 329 O ASP A 22 128.714 -12.987 -1.760 1.00 0.00 O ATOM 330 CB ASP A 22 127.539 -13.145 -4.485 1.00 0.00 C ATOM 331 CG ASP A 22 126.824 -13.856 -5.636 1.00 0.00 C ATOM 332 OD1 ASP A 22 126.908 -15.072 -5.698 1.00 0.00 O ATOM 333 OD2 ASP A 22 126.205 -13.172 -6.433 1.00 0.00 O ATOM 0 H ASP A 22 126.914 -15.319 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 22 129.304 -14.378 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.819 -12.854 -3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 22 128.008 -12.229 -4.845 1.00 0.00 H new ATOM 338 N PRO A 23 130.624 -13.062 -2.853 1.00 0.00 N ATOM 339 CA PRO A 23 131.325 -12.339 -1.753 1.00 0.00 C ATOM 340 C PRO A 23 130.730 -10.942 -1.518 1.00 0.00 C ATOM 341 O PRO A 23 130.625 -10.477 -0.400 1.00 0.00 O ATOM 342 CB PRO A 23 132.779 -12.244 -2.266 1.00 0.00 C ATOM 343 CG PRO A 23 132.859 -12.909 -3.655 1.00 0.00 C ATOM 344 CD PRO A 23 131.464 -13.449 -4.027 1.00 0.00 C ATOM 0 HA PRO A 23 131.237 -12.848 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.090 -11.201 -2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.458 -12.738 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.196 -12.188 -4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.587 -13.720 -3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.094 -13.005 -4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.476 -14.529 -4.175 1.00 0.00 H new ATOM 352 N LYS A 24 130.365 -10.267 -2.572 1.00 0.00 N ATOM 353 CA LYS A 24 129.803 -8.895 -2.430 1.00 0.00 C ATOM 354 C LYS A 24 128.531 -8.922 -1.577 1.00 0.00 C ATOM 355 O LYS A 24 128.389 -8.158 -0.644 1.00 0.00 O ATOM 356 CB LYS A 24 129.480 -8.349 -3.821 1.00 0.00 C ATOM 357 CG LYS A 24 130.788 -8.087 -4.571 1.00 0.00 C ATOM 358 CD LYS A 24 130.490 -7.602 -5.997 1.00 0.00 C ATOM 359 CE LYS A 24 130.034 -6.139 -5.979 1.00 0.00 C ATOM 360 NZ LYS A 24 130.111 -5.586 -7.361 1.00 0.00 N ATOM 0 H LYS A 24 130.432 -10.609 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 24 130.534 -8.255 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 24 128.867 -9.062 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 24 128.902 -7.428 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 24 131.377 -7.340 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 24 131.385 -8.998 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 24 131.381 -7.704 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 24 129.717 -8.225 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 24 129.014 -6.068 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.664 -5.557 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 129.803 -4.593 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 131.091 -5.642 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 129.493 -6.137 -7.990 1.00 0.00 H new ATOM 374 N ARG A 25 127.602 -9.789 -1.880 1.00 0.00 N ATOM 375 CA ARG A 25 126.351 -9.836 -1.070 1.00 0.00 C ATOM 376 C ARG A 25 126.689 -10.150 0.391 1.00 0.00 C ATOM 377 O ARG A 25 126.217 -9.493 1.298 1.00 0.00 O ATOM 378 CB ARG A 25 125.401 -10.900 -1.635 1.00 0.00 C ATOM 379 CG ARG A 25 124.147 -11.001 -0.749 1.00 0.00 C ATOM 380 CD ARG A 25 122.981 -11.604 -1.549 1.00 0.00 C ATOM 381 NE ARG A 25 123.497 -12.651 -2.489 1.00 0.00 N ATOM 382 CZ ARG A 25 123.416 -12.480 -3.786 1.00 0.00 C ATOM 383 NH1 ARG A 25 122.417 -11.808 -4.296 1.00 0.00 N ATOM 384 NH2 ARG A 25 124.330 -12.981 -4.571 1.00 0.00 N ATOM 0 H ARG A 25 127.654 -10.461 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 25 125.858 -8.865 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.117 -10.642 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 25 125.906 -11.865 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.358 -11.620 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.872 -10.013 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 25 122.250 -12.041 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.468 -10.821 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 25 123.915 -13.504 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 25 121.701 -11.417 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 25 122.354 -11.675 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 25 125.109 -13.507 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 25 124.265 -12.847 -5.580 1.00 0.00 H new ATOM 398 N LYS A 26 127.508 -11.137 0.633 1.00 0.00 N ATOM 399 CA LYS A 26 127.870 -11.467 2.041 1.00 0.00 C ATOM 400 C LYS A 26 128.541 -10.252 2.686 1.00 0.00 C ATOM 401 O LYS A 26 128.177 -9.824 3.764 1.00 0.00 O ATOM 402 CB LYS A 26 128.838 -12.653 2.056 1.00 0.00 C ATOM 403 CG LYS A 26 129.073 -13.102 3.501 1.00 0.00 C ATOM 404 CD LYS A 26 130.076 -14.264 3.530 1.00 0.00 C ATOM 405 CE LYS A 26 129.517 -15.469 2.759 1.00 0.00 C ATOM 406 NZ LYS A 26 130.164 -16.716 3.258 1.00 0.00 N ATOM 0 H LYS A 26 127.940 -11.726 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 26 126.971 -11.728 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.430 -13.476 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.784 -12.370 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.451 -12.269 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.131 -13.412 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 26 131.022 -13.948 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.284 -14.548 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 26 128.436 -15.529 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.704 -15.351 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 129.788 -17.534 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 131.192 -16.656 3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 129.964 -16.829 4.272 1.00 0.00 H new ATOM 420 N GLU A 27 129.518 -9.692 2.027 1.00 0.00 N ATOM 421 CA GLU A 27 130.216 -8.500 2.589 1.00 0.00 C ATOM 422 C GLU A 27 129.218 -7.347 2.719 1.00 0.00 C ATOM 423 O GLU A 27 129.181 -6.655 3.717 1.00 0.00 O ATOM 424 CB GLU A 27 131.363 -8.096 1.658 1.00 0.00 C ATOM 425 CG GLU A 27 132.131 -6.923 2.269 1.00 0.00 C ATOM 426 CD GLU A 27 133.405 -6.672 1.460 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.702 -7.478 0.594 1.00 0.00 O ATOM 428 OE2 GLU A 27 134.065 -5.681 1.725 1.00 0.00 O ATOM 0 H GLU A 27 129.864 -10.009 1.121 1.00 0.00 H new ATOM 0 HA GLU A 27 130.622 -8.738 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 27 132.033 -8.941 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 27 130.970 -7.817 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.508 -6.029 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.383 -7.140 3.307 1.00 0.00 H new ATOM 435 N PHE A 28 128.404 -7.143 1.719 1.00 0.00 N ATOM 436 CA PHE A 28 127.401 -6.045 1.788 1.00 0.00 C ATOM 437 C PHE A 28 126.460 -6.259 2.978 1.00 0.00 C ATOM 438 O PHE A 28 126.217 -5.359 3.756 1.00 0.00 O ATOM 439 CB PHE A 28 126.579 -6.015 0.492 1.00 0.00 C ATOM 440 CG PHE A 28 125.411 -5.077 0.680 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.234 -5.567 1.255 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.509 -3.729 0.321 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.151 -4.716 1.468 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.423 -2.871 0.538 1.00 0.00 C ATOM 445 CZ PHE A 28 123.244 -3.366 1.112 1.00 0.00 C ATOM 0 H PHE A 28 128.391 -7.690 0.858 1.00 0.00 H new ATOM 0 HA PHE A 28 127.926 -5.098 1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.199 -5.684 -0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.224 -7.016 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.164 -6.608 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.419 -3.351 -0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.241 -5.098 1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.494 -1.829 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.407 -2.705 1.280 1.00 0.00 H new ATOM 455 N LEU A 29 125.905 -7.431 3.110 1.00 0.00 N ATOM 456 CA LEU A 29 124.958 -7.672 4.232 1.00 0.00 C ATOM 457 C LEU A 29 125.684 -7.441 5.556 1.00 0.00 C ATOM 458 O LEU A 29 125.178 -6.786 6.445 1.00 0.00 O ATOM 459 CB LEU A 29 124.454 -9.116 4.173 1.00 0.00 C ATOM 460 CG LEU A 29 123.526 -9.308 2.962 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.243 -10.803 2.785 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.195 -8.553 3.170 1.00 0.00 C ATOM 0 H LEU A 29 126.065 -8.228 2.493 1.00 0.00 H new ATOM 0 HA LEU A 29 124.111 -6.990 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.299 -9.801 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.920 -9.360 5.091 1.00 0.00 H new ATOM 0 HG LEU A 29 124.014 -8.909 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.585 -10.950 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.180 -11.333 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.762 -11.191 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.553 -8.702 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.696 -8.935 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.396 -7.489 3.295 1.00 0.00 H new ATOM 474 N ASP A 30 126.867 -7.967 5.696 1.00 0.00 N ATOM 475 CA ASP A 30 127.620 -7.769 6.966 1.00 0.00 C ATOM 476 C ASP A 30 127.851 -6.274 7.206 1.00 0.00 C ATOM 477 O ASP A 30 127.763 -5.795 8.320 1.00 0.00 O ATOM 478 CB ASP A 30 128.969 -8.481 6.864 1.00 0.00 C ATOM 479 CG ASP A 30 128.751 -9.994 6.880 1.00 0.00 C ATOM 480 OD1 ASP A 30 127.704 -10.417 7.342 1.00 0.00 O ATOM 481 OD2 ASP A 30 129.633 -10.706 6.427 1.00 0.00 O ATOM 0 H ASP A 30 127.345 -8.525 4.988 1.00 0.00 H new ATOM 0 HA ASP A 30 127.045 -8.180 7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 30 129.479 -8.186 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.611 -8.187 7.694 1.00 0.00 H new ATOM 486 N ASP A 31 128.156 -5.534 6.175 1.00 0.00 N ATOM 487 CA ASP A 31 128.404 -4.074 6.351 1.00 0.00 C ATOM 488 C ASP A 31 127.091 -3.338 6.647 1.00 0.00 C ATOM 489 O ASP A 31 126.999 -2.575 7.588 1.00 0.00 O ATOM 490 CB ASP A 31 129.024 -3.509 5.072 1.00 0.00 C ATOM 491 CG ASP A 31 129.486 -2.071 5.319 1.00 0.00 C ATOM 492 OD1 ASP A 31 129.066 -1.498 6.310 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.250 -1.569 4.512 1.00 0.00 O ATOM 0 H ASP A 31 128.244 -5.877 5.218 1.00 0.00 H new ATOM 0 HA ASP A 31 129.084 -3.931 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 31 129.868 -4.125 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.296 -3.534 4.261 1.00 0.00 H new ATOM 498 N LEU A 32 126.078 -3.544 5.849 1.00 0.00 N ATOM 499 CA LEU A 32 124.787 -2.835 6.094 1.00 0.00 C ATOM 500 C LEU A 32 124.238 -3.198 7.477 1.00 0.00 C ATOM 501 O LEU A 32 123.884 -2.332 8.250 1.00 0.00 O ATOM 502 CB LEU A 32 123.774 -3.199 4.998 1.00 0.00 C ATOM 503 CG LEU A 32 122.388 -2.635 5.347 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.488 -1.128 5.633 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.444 -2.865 4.164 1.00 0.00 C ATOM 0 H LEU A 32 126.087 -4.168 5.043 1.00 0.00 H new ATOM 0 HA LEU A 32 124.961 -1.759 6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.106 -2.800 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.717 -4.282 4.890 1.00 0.00 H new ATOM 0 HG LEU A 32 122.006 -3.140 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.500 -0.738 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.164 -0.961 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.871 -0.615 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.458 -2.468 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 32 121.836 -2.358 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.366 -3.934 3.963 1.00 0.00 H new ATOM 517 N PHE A 33 124.160 -4.460 7.805 1.00 0.00 N ATOM 518 CA PHE A 33 123.623 -4.827 9.149 1.00 0.00 C ATOM 519 C PHE A 33 124.478 -4.150 10.233 1.00 0.00 C ATOM 520 O PHE A 33 123.978 -3.742 11.264 1.00 0.00 O ATOM 521 CB PHE A 33 123.659 -6.354 9.363 1.00 0.00 C ATOM 522 CG PHE A 33 122.483 -7.035 8.670 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.152 -6.685 8.985 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.726 -8.037 7.717 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.089 -7.333 8.342 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.659 -8.680 7.082 1.00 0.00 C ATOM 527 CZ PHE A 33 120.344 -8.329 7.391 1.00 0.00 C ATOM 0 H PHE A 33 124.440 -5.242 7.212 1.00 0.00 H new ATOM 0 HA PHE A 33 122.588 -4.492 9.211 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.595 -6.756 8.976 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.634 -6.575 10.430 1.00 0.00 H new ATOM 0 HD1 PHE A 33 120.954 -5.919 9.720 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.741 -8.312 7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.071 -7.064 8.580 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.853 -9.450 6.350 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.522 -8.826 6.896 1.00 0.00 H new ATOM 537 N SER A 34 125.763 -4.048 10.017 1.00 0.00 N ATOM 538 CA SER A 34 126.651 -3.424 11.045 1.00 0.00 C ATOM 539 C SER A 34 126.245 -1.966 11.333 1.00 0.00 C ATOM 540 O SER A 34 126.105 -1.575 12.472 1.00 0.00 O ATOM 541 CB SER A 34 128.097 -3.450 10.545 1.00 0.00 C ATOM 542 OG SER A 34 128.523 -4.800 10.414 1.00 0.00 O ATOM 0 H SER A 34 126.237 -4.370 9.173 1.00 0.00 H new ATOM 0 HA SER A 34 126.553 -3.995 11.968 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.172 -2.938 9.586 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.745 -2.918 11.242 1.00 0.00 H new ATOM 0 HG SER A 34 128.503 -5.059 9.469 1.00 0.00 H new ATOM 548 N PHE A 35 126.071 -1.153 10.326 1.00 0.00 N ATOM 549 CA PHE A 35 125.695 0.277 10.582 1.00 0.00 C ATOM 550 C PHE A 35 124.366 0.353 11.335 1.00 0.00 C ATOM 551 O PHE A 35 124.261 0.979 12.371 1.00 0.00 O ATOM 552 CB PHE A 35 125.557 1.008 9.244 1.00 0.00 C ATOM 553 CG PHE A 35 125.251 2.464 9.494 1.00 0.00 C ATOM 554 CD1 PHE A 35 123.930 2.877 9.700 1.00 0.00 C ATOM 555 CD2 PHE A 35 126.291 3.399 9.525 1.00 0.00 C ATOM 556 CE1 PHE A 35 123.649 4.228 9.936 1.00 0.00 C ATOM 557 CE2 PHE A 35 126.011 4.750 9.762 1.00 0.00 C ATOM 558 CZ PHE A 35 124.689 5.165 9.967 1.00 0.00 C ATOM 0 H PHE A 35 126.171 -1.409 9.344 1.00 0.00 H new ATOM 0 HA PHE A 35 126.472 0.744 11.187 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.478 0.913 8.669 1.00 0.00 H new ATOM 0 HB3 PHE A 35 124.763 0.555 8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.128 2.154 9.677 1.00 0.00 H new ATOM 0 HD2 PHE A 35 127.310 3.079 9.366 1.00 0.00 H new ATOM 0 HE1 PHE A 35 122.630 4.548 10.094 1.00 0.00 H new ATOM 0 HE2 PHE A 35 126.814 5.472 9.787 1.00 0.00 H new ATOM 0 HZ PHE A 35 124.472 6.207 10.149 1.00 0.00 H new ATOM 568 N MET A 36 123.354 -0.281 10.821 1.00 0.00 N ATOM 569 CA MET A 36 122.021 -0.253 11.497 1.00 0.00 C ATOM 570 C MET A 36 122.091 -1.028 12.817 1.00 0.00 C ATOM 571 O MET A 36 121.184 -0.982 13.625 1.00 0.00 O ATOM 572 CB MET A 36 120.978 -0.886 10.575 1.00 0.00 C ATOM 573 CG MET A 36 121.380 -2.325 10.260 1.00 0.00 C ATOM 574 SD MET A 36 120.524 -2.872 8.763 1.00 0.00 S ATOM 575 CE MET A 36 118.929 -3.230 9.532 1.00 0.00 C ATOM 0 H MET A 36 123.388 -0.822 9.957 1.00 0.00 H new ATOM 0 HA MET A 36 121.740 0.779 11.710 1.00 0.00 H new ATOM 0 HB2 MET A 36 119.998 -0.867 11.051 1.00 0.00 H new ATOM 0 HB3 MET A 36 120.896 -0.310 9.653 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.459 -2.391 10.120 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.127 -2.977 11.096 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.238 -3.606 8.778 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.061 -3.981 10.311 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.525 -2.319 9.972 1.00 0.00 H new ATOM 585 N GLN A 37 123.154 -1.751 13.032 1.00 0.00 N ATOM 586 CA GLN A 37 123.285 -2.549 14.289 1.00 0.00 C ATOM 587 C GLN A 37 123.054 -1.657 15.504 1.00 0.00 C ATOM 588 O GLN A 37 122.912 -2.138 16.611 1.00 0.00 O ATOM 589 CB GLN A 37 124.677 -3.171 14.370 1.00 0.00 C ATOM 590 CG GLN A 37 124.743 -4.148 15.546 1.00 0.00 C ATOM 591 CD GLN A 37 126.026 -4.976 15.443 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.587 -5.116 14.375 1.00 0.00 O ATOM 593 NE2 GLN A 37 126.519 -5.530 16.516 1.00 0.00 N ATOM 0 H GLN A 37 123.943 -1.826 12.390 1.00 0.00 H new ATOM 0 HA GLN A 37 122.536 -3.341 14.279 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.907 -3.691 13.440 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.427 -2.390 14.492 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.723 -3.602 16.489 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.872 -4.803 15.539 1.00 0.00 H new ATOM 0 HE21 GLN A 37 126.048 -5.412 17.413 1.00 0.00 H new ATOM 0 HE22 GLN A 37 127.376 -6.081 16.458 1.00 0.00 H new ATOM 602 N LYS A 38 122.998 -0.363 15.323 1.00 0.00 N ATOM 603 CA LYS A 38 122.757 0.527 16.494 1.00 0.00 C ATOM 604 C LYS A 38 121.532 -0.012 17.237 1.00 0.00 C ATOM 605 O LYS A 38 121.530 -0.138 18.445 1.00 0.00 O ATOM 606 CB LYS A 38 122.496 1.953 15.997 1.00 0.00 C ATOM 607 CG LYS A 38 122.221 2.878 17.189 1.00 0.00 C ATOM 608 CD LYS A 38 121.962 4.299 16.681 1.00 0.00 C ATOM 609 CE LYS A 38 121.650 5.217 17.865 1.00 0.00 C ATOM 610 NZ LYS A 38 121.463 6.612 17.374 1.00 0.00 N ATOM 0 H LYS A 38 123.107 0.110 14.426 1.00 0.00 H new ATOM 0 HA LYS A 38 123.620 0.547 17.160 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.357 2.315 15.435 1.00 0.00 H new ATOM 0 HB3 LYS A 38 121.645 1.960 15.316 1.00 0.00 H new ATOM 0 HG2 LYS A 38 121.359 2.518 17.751 1.00 0.00 H new ATOM 0 HG3 LYS A 38 123.071 2.873 17.871 1.00 0.00 H new ATOM 0 HD2 LYS A 38 122.834 4.668 16.141 1.00 0.00 H new ATOM 0 HD3 LYS A 38 121.129 4.299 15.978 1.00 0.00 H new ATOM 0 HE2 LYS A 38 120.750 4.876 18.376 1.00 0.00 H new ATOM 0 HE3 LYS A 38 122.462 5.181 18.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 121.251 7.237 18.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 122.333 6.934 16.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 120.674 6.639 16.697 1.00 0.00 H new ATOM 624 N ARG A 39 120.516 -0.387 16.512 1.00 0.00 N ATOM 625 CA ARG A 39 119.319 -0.985 17.162 1.00 0.00 C ATOM 626 C ARG A 39 119.730 -2.367 17.678 1.00 0.00 C ATOM 627 O ARG A 39 119.340 -2.797 18.746 1.00 0.00 O ATOM 628 CB ARG A 39 118.189 -1.137 16.137 1.00 0.00 C ATOM 629 CG ARG A 39 117.653 0.241 15.721 1.00 0.00 C ATOM 630 CD ARG A 39 116.681 0.785 16.777 1.00 0.00 C ATOM 631 NE ARG A 39 116.000 1.997 16.240 1.00 0.00 N ATOM 632 CZ ARG A 39 115.394 2.820 17.051 1.00 0.00 C ATOM 633 NH1 ARG A 39 114.165 2.584 17.422 1.00 0.00 N ATOM 634 NH2 ARG A 39 116.016 3.879 17.489 1.00 0.00 N ATOM 0 H ARG A 39 120.463 -0.305 15.497 1.00 0.00 H new ATOM 0 HA ARG A 39 118.964 -0.351 17.974 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.554 -1.672 15.260 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.382 -1.735 16.562 1.00 0.00 H new ATOM 0 HG2 ARG A 39 118.483 0.936 15.591 1.00 0.00 H new ATOM 0 HG3 ARG A 39 117.147 0.165 14.758 1.00 0.00 H new ATOM 0 HD2 ARG A 39 115.944 0.025 17.036 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.220 1.032 17.692 1.00 0.00 H new ATOM 0 HE ARG A 39 116.008 2.183 15.237 1.00 0.00 H new ATOM 0 HH11 ARG A 39 113.678 1.756 17.078 1.00 0.00 H new ATOM 0 HH12 ARG A 39 113.691 3.227 18.056 1.00 0.00 H new ATOM 0 HH21 ARG A 39 116.976 4.064 17.198 1.00 0.00 H new ATOM 0 HH22 ARG A 39 115.543 4.523 18.123 1.00 0.00 H new ATOM 648 N GLY A 40 120.533 -3.059 16.905 1.00 0.00 N ATOM 649 CA GLY A 40 121.016 -4.418 17.298 1.00 0.00 C ATOM 650 C GLY A 40 120.193 -5.489 16.582 1.00 0.00 C ATOM 651 O GLY A 40 120.568 -6.644 16.540 1.00 0.00 O ATOM 0 H GLY A 40 120.879 -2.732 16.003 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.070 -4.527 17.044 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.934 -4.545 18.377 1.00 0.00 H new ATOM 655 N THR A 41 119.075 -5.110 16.009 1.00 0.00 N ATOM 656 CA THR A 41 118.207 -6.089 15.275 1.00 0.00 C ATOM 657 C THR A 41 118.189 -5.744 13.775 1.00 0.00 C ATOM 658 O THR A 41 118.451 -4.620 13.397 1.00 0.00 O ATOM 659 CB THR A 41 116.782 -6.021 15.864 1.00 0.00 C ATOM 660 OG1 THR A 41 116.567 -4.722 16.399 1.00 0.00 O ATOM 661 CG2 THR A 41 116.632 -7.056 16.985 1.00 0.00 C ATOM 0 H THR A 41 118.722 -4.153 16.018 1.00 0.00 H new ATOM 0 HA THR A 41 118.598 -7.100 15.389 1.00 0.00 H new ATOM 0 HB THR A 41 116.054 -6.231 15.080 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.663 -4.668 16.774 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.624 -7.003 17.397 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.808 -8.054 16.584 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.357 -6.848 17.772 1.00 0.00 H new ATOM 669 N PRO A 42 117.876 -6.702 12.922 1.00 0.00 N ATOM 670 CA PRO A 42 117.828 -6.441 11.455 1.00 0.00 C ATOM 671 C PRO A 42 116.959 -5.223 11.103 1.00 0.00 C ATOM 672 O PRO A 42 116.604 -4.429 11.951 1.00 0.00 O ATOM 673 CB PRO A 42 117.214 -7.748 10.900 1.00 0.00 C ATOM 674 CG PRO A 42 116.932 -8.700 12.081 1.00 0.00 C ATOM 675 CD PRO A 42 117.560 -8.097 13.347 1.00 0.00 C ATOM 0 HA PRO A 42 118.806 -6.202 11.038 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.292 -7.533 10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.898 -8.216 10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.858 -8.831 12.215 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.351 -9.686 11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.870 -8.117 14.191 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.454 -8.640 13.654 1.00 0.00 H new ATOM 683 N ILE A 43 116.610 -5.084 9.854 1.00 0.00 N ATOM 684 CA ILE A 43 115.763 -3.937 9.433 1.00 0.00 C ATOM 685 C ILE A 43 114.425 -4.027 10.184 1.00 0.00 C ATOM 686 O ILE A 43 114.352 -4.600 11.253 1.00 0.00 O ATOM 687 CB ILE A 43 115.586 -3.999 7.894 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.334 -2.581 7.322 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.423 -4.938 7.508 1.00 0.00 C ATOM 690 CD1 ILE A 43 116.662 -1.830 7.131 1.00 0.00 C ATOM 0 H ILE A 43 116.878 -5.721 9.103 1.00 0.00 H new ATOM 0 HA ILE A 43 116.220 -2.978 9.676 1.00 0.00 H new ATOM 0 HB ILE A 43 116.506 -4.397 7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 43 114.812 -2.655 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 43 114.687 -2.021 7.997 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.321 -4.963 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.629 -5.943 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.497 -4.572 7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.464 -0.837 6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.169 -1.738 8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.296 -2.382 6.437 1.00 0.00 H new ATOM 702 N ASN A 44 113.369 -3.470 9.659 1.00 0.00 N ATOM 703 CA ASN A 44 112.068 -3.541 10.385 1.00 0.00 C ATOM 704 C ASN A 44 111.378 -4.871 10.063 1.00 0.00 C ATOM 705 O ASN A 44 111.136 -5.674 10.942 1.00 0.00 O ATOM 706 CB ASN A 44 111.185 -2.371 9.951 1.00 0.00 C ATOM 707 CG ASN A 44 111.772 -1.071 10.507 1.00 0.00 C ATOM 708 OD1 ASN A 44 112.487 -1.086 11.490 1.00 0.00 O ATOM 709 ND2 ASN A 44 111.506 0.061 9.915 1.00 0.00 N ATOM 0 H ASN A 44 113.349 -2.973 8.768 1.00 0.00 H new ATOM 0 HA ASN A 44 112.239 -3.481 11.460 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.130 -2.324 8.863 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.168 -2.511 10.316 1.00 0.00 H new ATOM 0 HD21 ASN A 44 111.898 0.930 10.277 1.00 0.00 H new ATOM 0 HD22 ASN A 44 110.906 0.077 9.090 1.00 0.00 H new ATOM 716 N ARG A 45 111.073 -5.129 8.818 1.00 0.00 N ATOM 717 CA ARG A 45 110.419 -6.429 8.466 1.00 0.00 C ATOM 718 C ARG A 45 110.853 -6.883 7.073 1.00 0.00 C ATOM 719 O ARG A 45 111.079 -6.087 6.183 1.00 0.00 O ATOM 720 CB ARG A 45 108.895 -6.280 8.504 1.00 0.00 C ATOM 721 CG ARG A 45 108.431 -6.118 9.954 1.00 0.00 C ATOM 722 CD ARG A 45 106.905 -6.196 10.015 1.00 0.00 C ATOM 723 NE ARG A 45 106.318 -4.984 9.381 1.00 0.00 N ATOM 724 CZ ARG A 45 105.054 -4.964 9.062 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.192 -5.646 9.768 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.650 -4.262 8.039 1.00 0.00 N ATOM 0 H ARG A 45 111.246 -4.502 8.033 1.00 0.00 H new ATOM 0 HA ARG A 45 110.726 -7.178 9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.589 -5.415 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.423 -7.154 8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.870 -6.897 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.773 -5.162 10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.556 -7.092 9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.576 -6.273 11.051 1.00 0.00 H new ATOM 0 HE ARG A 45 106.904 -4.170 9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.508 -6.194 10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.203 -5.631 9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.323 -3.729 7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.661 -4.247 7.790 1.00 0.00 H new ATOM 740 N LEU A 46 110.960 -8.174 6.887 1.00 0.00 N ATOM 741 CA LEU A 46 111.370 -8.740 5.566 1.00 0.00 C ATOM 742 C LEU A 46 110.372 -9.842 5.179 1.00 0.00 C ATOM 743 O LEU A 46 110.642 -11.011 5.370 1.00 0.00 O ATOM 744 CB LEU A 46 112.770 -9.349 5.699 1.00 0.00 C ATOM 745 CG LEU A 46 113.815 -8.231 5.883 1.00 0.00 C ATOM 746 CD1 LEU A 46 115.072 -8.804 6.547 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.196 -7.624 4.523 1.00 0.00 C ATOM 0 H LEU A 46 110.777 -8.872 7.608 1.00 0.00 H new ATOM 0 HA LEU A 46 111.381 -7.960 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.800 -10.030 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.006 -9.936 4.812 1.00 0.00 H new ATOM 0 HG LEU A 46 113.384 -7.453 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.809 -8.011 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.812 -9.219 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.490 -9.589 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 46 114.935 -6.836 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.616 -8.400 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.308 -7.205 4.050 1.00 0.00 H new ATOM 759 N PRO A 47 109.216 -9.487 4.660 1.00 0.00 N ATOM 760 CA PRO A 47 108.200 -10.513 4.289 1.00 0.00 C ATOM 761 C PRO A 47 108.693 -11.449 3.175 1.00 0.00 C ATOM 762 O PRO A 47 109.749 -11.252 2.608 1.00 0.00 O ATOM 763 CB PRO A 47 106.995 -9.657 3.839 1.00 0.00 C ATOM 764 CG PRO A 47 107.369 -8.165 3.983 1.00 0.00 C ATOM 765 CD PRO A 47 108.848 -8.066 4.404 1.00 0.00 C ATOM 0 HA PRO A 47 107.962 -11.190 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 47 106.735 -9.884 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.119 -9.888 4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.209 -7.642 3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 47 106.732 -7.685 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.463 -7.624 3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 47 108.975 -7.449 5.294 1.00 0.00 H new ATOM 773 N ILE A 48 107.930 -12.469 2.865 1.00 0.00 N ATOM 774 CA ILE A 48 108.331 -13.432 1.801 1.00 0.00 C ATOM 775 C ILE A 48 107.471 -13.176 0.567 1.00 0.00 C ATOM 776 O ILE A 48 106.272 -13.008 0.665 1.00 0.00 O ATOM 777 CB ILE A 48 108.078 -14.863 2.283 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.689 -15.065 3.678 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.712 -15.852 1.298 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.148 -14.604 3.692 1.00 0.00 C ATOM 0 H ILE A 48 107.036 -12.675 3.312 1.00 0.00 H new ATOM 0 HA ILE A 48 109.388 -13.304 1.568 1.00 0.00 H new ATOM 0 HB ILE A 48 107.003 -15.037 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.117 -14.505 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.630 -16.116 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.533 -16.871 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.269 -15.717 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.786 -15.672 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.567 -14.753 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.720 -15.183 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.198 -13.547 3.432 1.00 0.00 H new ATOM 841 N SER A 52 110.667 -16.369 -3.361 1.00 0.00 N ATOM 842 CA SER A 52 111.905 -15.635 -2.969 1.00 0.00 C ATOM 843 C SER A 52 111.566 -14.686 -1.823 1.00 0.00 C ATOM 844 O SER A 52 110.415 -14.519 -1.471 1.00 0.00 O ATOM 845 CB SER A 52 112.426 -14.836 -4.163 1.00 0.00 C ATOM 846 OG SER A 52 111.391 -14.001 -4.661 1.00 0.00 O ATOM 0 HA SER A 52 112.673 -16.340 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 52 113.283 -14.232 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 52 112.770 -15.513 -4.945 1.00 0.00 H new ATOM 0 HG SER A 52 110.521 -14.406 -4.463 1.00 0.00 H new ATOM 852 N VAL A 53 112.558 -14.073 -1.234 1.00 0.00 N ATOM 853 CA VAL A 53 112.311 -13.133 -0.094 1.00 0.00 C ATOM 854 C VAL A 53 112.682 -11.714 -0.521 1.00 0.00 C ATOM 855 O VAL A 53 113.535 -11.513 -1.363 1.00 0.00 O ATOM 856 CB VAL A 53 113.177 -13.562 1.102 1.00 0.00 C ATOM 857 CG1 VAL A 53 112.738 -12.812 2.386 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.051 -15.090 1.300 1.00 0.00 C ATOM 0 H VAL A 53 113.538 -14.182 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 53 111.259 -13.157 0.191 1.00 0.00 H new ATOM 0 HB VAL A 53 114.218 -13.309 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 53 113.361 -13.128 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 53 112.849 -11.738 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 53 111.695 -13.042 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 53 113.663 -15.399 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.009 -15.347 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.391 -15.603 0.400 1.00 0.00 H new ATOM 868 N LEU A 54 112.043 -10.725 0.043 1.00 0.00 N ATOM 869 CA LEU A 54 112.367 -9.326 -0.353 1.00 0.00 C ATOM 870 C LEU A 54 113.867 -9.111 -0.150 1.00 0.00 C ATOM 871 O LEU A 54 114.330 -8.846 0.942 1.00 0.00 O ATOM 872 CB LEU A 54 111.569 -8.353 0.525 1.00 0.00 C ATOM 873 CG LEU A 54 111.874 -6.898 0.136 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.399 -6.623 -1.301 1.00 0.00 C ATOM 875 CD2 LEU A 54 111.146 -5.961 1.105 1.00 0.00 C ATOM 0 H LEU A 54 111.318 -10.824 0.754 1.00 0.00 H new ATOM 0 HA LEU A 54 112.105 -9.149 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.502 -8.548 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.817 -8.514 1.574 1.00 0.00 H new ATOM 0 HG LEU A 54 112.949 -6.727 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.620 -5.589 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.915 -7.292 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.324 -6.793 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.356 -4.926 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.072 -6.140 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.491 -6.150 2.122 1.00 0.00 H new ATOM 887 N ASP A 55 114.628 -9.250 -1.201 1.00 0.00 N ATOM 888 CA ASP A 55 116.105 -9.087 -1.097 1.00 0.00 C ATOM 889 C ASP A 55 116.471 -7.624 -0.826 1.00 0.00 C ATOM 890 O ASP A 55 116.214 -6.748 -1.627 1.00 0.00 O ATOM 891 CB ASP A 55 116.741 -9.542 -2.413 1.00 0.00 C ATOM 892 CG ASP A 55 118.266 -9.432 -2.329 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.748 -8.686 -1.493 1.00 0.00 O ATOM 894 OD2 ASP A 55 118.929 -10.098 -3.109 1.00 0.00 O ATOM 0 H ASP A 55 114.286 -9.472 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 55 116.476 -9.690 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.455 -10.572 -2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.370 -8.930 -3.235 1.00 0.00 H new ATOM 899 N LEU A 56 117.098 -7.365 0.290 1.00 0.00 N ATOM 900 CA LEU A 56 117.521 -5.973 0.617 1.00 0.00 C ATOM 901 C LEU A 56 118.478 -5.463 -0.462 1.00 0.00 C ATOM 902 O LEU A 56 118.433 -4.315 -0.858 1.00 0.00 O ATOM 903 CB LEU A 56 118.233 -5.953 1.973 1.00 0.00 C ATOM 904 CG LEU A 56 117.222 -6.201 3.102 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.983 -6.425 4.413 1.00 0.00 C ATOM 906 CD2 LEU A 56 116.271 -4.990 3.244 1.00 0.00 C ATOM 0 H LEU A 56 117.337 -8.063 0.994 1.00 0.00 H new ATOM 0 HA LEU A 56 116.640 -5.332 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 56 119.010 -6.717 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 56 118.726 -4.992 2.120 1.00 0.00 H new ATOM 0 HG LEU A 56 116.626 -7.083 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 56 117.273 -6.602 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.638 -7.290 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 56 118.580 -5.543 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 56 115.559 -5.179 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 56 116.851 -4.097 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 56 115.731 -4.840 2.309 1.00 0.00 H new ATOM 918 N TYR A 57 119.358 -6.307 -0.924 1.00 0.00 N ATOM 919 CA TYR A 57 120.340 -5.878 -1.958 1.00 0.00 C ATOM 920 C TYR A 57 119.596 -5.380 -3.204 1.00 0.00 C ATOM 921 O TYR A 57 119.989 -4.413 -3.824 1.00 0.00 O ATOM 922 CB TYR A 57 121.225 -7.080 -2.332 1.00 0.00 C ATOM 923 CG TYR A 57 122.527 -6.597 -2.943 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.528 -5.973 -4.198 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.733 -6.769 -2.248 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.728 -5.522 -4.756 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.935 -6.319 -2.807 1.00 0.00 C ATOM 928 CZ TYR A 57 124.932 -5.692 -4.061 1.00 0.00 C ATOM 929 OH TYR A 57 126.115 -5.247 -4.613 1.00 0.00 O ATOM 0 H TYR A 57 119.439 -7.280 -0.628 1.00 0.00 H new ATOM 0 HA TYR A 57 120.958 -5.070 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.431 -7.680 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.699 -7.723 -3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.600 -5.840 -4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.734 -7.249 -1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.727 -5.042 -5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.864 -6.455 -2.273 1.00 0.00 H new ATOM 0 HH TYR A 57 126.855 -5.442 -4.001 1.00 0.00 H new ATOM 939 N GLU A 58 118.536 -6.037 -3.582 1.00 0.00 N ATOM 940 CA GLU A 58 117.787 -5.603 -4.798 1.00 0.00 C ATOM 941 C GLU A 58 117.211 -4.198 -4.605 1.00 0.00 C ATOM 942 O GLU A 58 117.228 -3.389 -5.511 1.00 0.00 O ATOM 943 CB GLU A 58 116.656 -6.592 -5.080 1.00 0.00 C ATOM 944 CG GLU A 58 117.245 -7.908 -5.594 1.00 0.00 C ATOM 945 CD GLU A 58 116.113 -8.898 -5.877 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.990 -8.606 -5.497 1.00 0.00 O ATOM 947 OE2 GLU A 58 116.388 -9.930 -6.466 1.00 0.00 O ATOM 0 H GLU A 58 118.155 -6.854 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 58 118.474 -5.581 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.079 -6.769 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.970 -6.176 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 58 117.822 -7.730 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 58 117.931 -8.325 -4.856 1.00 0.00 H new ATOM 954 N LEU A 59 116.704 -3.884 -3.444 1.00 0.00 N ATOM 955 CA LEU A 59 116.144 -2.517 -3.244 1.00 0.00 C ATOM 956 C LEU A 59 117.258 -1.503 -3.496 1.00 0.00 C ATOM 957 O LEU A 59 117.080 -0.528 -4.200 1.00 0.00 O ATOM 958 CB LEU A 59 115.637 -2.358 -1.797 1.00 0.00 C ATOM 959 CG LEU A 59 115.052 -0.941 -1.573 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.726 -0.790 -2.334 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.819 -0.704 -0.068 1.00 0.00 C ATOM 0 H LEU A 59 116.653 -4.504 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 59 115.312 -2.356 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.874 -3.108 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.455 -2.533 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 59 115.761 -0.203 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.324 0.210 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.899 -0.941 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 59 113.013 -1.532 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 59 114.408 0.294 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 59 114.119 -1.447 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.766 -0.791 0.465 1.00 0.00 H new ATOM 973 N TYR A 60 118.397 -1.712 -2.899 1.00 0.00 N ATOM 974 CA TYR A 60 119.513 -0.749 -3.075 1.00 0.00 C ATOM 975 C TYR A 60 120.023 -0.722 -4.522 1.00 0.00 C ATOM 976 O TYR A 60 120.189 0.331 -5.104 1.00 0.00 O ATOM 977 CB TYR A 60 120.673 -1.124 -2.158 1.00 0.00 C ATOM 978 CG TYR A 60 121.649 0.010 -2.215 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.328 1.199 -1.567 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.830 -0.098 -2.953 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.184 2.290 -1.651 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.698 0.992 -3.030 1.00 0.00 C ATOM 983 CZ TYR A 60 123.372 2.189 -2.380 1.00 0.00 C ATOM 984 OH TYR A 60 124.205 3.275 -2.470 1.00 0.00 O ATOM 0 H TYR A 60 118.602 -2.509 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 60 119.129 0.239 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.324 -1.284 -1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 60 121.140 -2.053 -2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.413 1.274 -0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.070 -1.020 -3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.932 3.215 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.619 0.913 -3.589 1.00 0.00 H new ATOM 0 HH TYR A 60 124.016 3.894 -1.734 1.00 0.00 H new ATOM 994 N ASN A 61 120.306 -1.859 -5.100 1.00 0.00 N ATOM 995 CA ASN A 61 120.843 -1.862 -6.491 1.00 0.00 C ATOM 996 C ASN A 61 119.830 -1.205 -7.444 1.00 0.00 C ATOM 997 O ASN A 61 120.196 -0.428 -8.304 1.00 0.00 O ATOM 998 CB ASN A 61 121.173 -3.328 -6.900 1.00 0.00 C ATOM 999 CG ASN A 61 120.320 -3.805 -8.084 1.00 0.00 C ATOM 1000 OD1 ASN A 61 120.774 -3.812 -9.210 1.00 0.00 O ATOM 1001 ND2 ASN A 61 119.100 -4.213 -7.869 1.00 0.00 N ATOM 0 H ASN A 61 120.190 -2.778 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 61 121.762 -1.279 -6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 61 122.229 -3.402 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.009 -3.987 -6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 61 118.526 -4.538 -8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 61 118.719 -4.207 -6.923 1.00 0.00 H new ATOM 1008 N LEU A 62 118.570 -1.503 -7.306 1.00 0.00 N ATOM 1009 CA LEU A 62 117.567 -0.880 -8.217 1.00 0.00 C ATOM 1010 C LEU A 62 117.613 0.645 -8.065 1.00 0.00 C ATOM 1011 O LEU A 62 117.539 1.372 -9.032 1.00 0.00 O ATOM 1012 CB LEU A 62 116.163 -1.379 -7.859 1.00 0.00 C ATOM 1013 CG LEU A 62 116.006 -2.860 -8.237 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.695 -3.386 -7.644 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.981 -3.032 -9.769 1.00 0.00 C ATOM 0 H LEU A 62 118.192 -2.145 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 62 117.800 -1.154 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.986 -1.249 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.415 -0.783 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 62 116.853 -3.420 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.573 -4.437 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.719 -3.283 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.859 -2.813 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.869 -4.088 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.143 -2.472 -10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.913 -2.658 -10.192 1.00 0.00 H new ATOM 1027 N VAL A 63 117.727 1.133 -6.859 1.00 0.00 N ATOM 1028 CA VAL A 63 117.763 2.612 -6.652 1.00 0.00 C ATOM 1029 C VAL A 63 118.985 3.224 -7.351 1.00 0.00 C ATOM 1030 O VAL A 63 118.868 4.183 -8.088 1.00 0.00 O ATOM 1031 CB VAL A 63 117.816 2.893 -5.144 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.151 4.370 -4.887 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.448 2.564 -4.533 1.00 0.00 C ATOM 0 H VAL A 63 117.797 0.574 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 63 116.870 3.064 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 63 118.591 2.276 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.185 4.554 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.121 4.605 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.385 5.001 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.472 2.759 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.683 3.185 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.216 1.513 -4.705 1.00 0.00 H new ATOM 1043 N ILE A 64 120.151 2.684 -7.132 1.00 0.00 N ATOM 1044 CA ILE A 64 121.365 3.245 -7.789 1.00 0.00 C ATOM 1045 C ILE A 64 121.249 3.066 -9.309 1.00 0.00 C ATOM 1046 O ILE A 64 121.644 3.921 -10.076 1.00 0.00 O ATOM 1047 CB ILE A 64 122.611 2.506 -7.278 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.719 2.643 -5.749 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.867 3.097 -7.925 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.667 4.116 -5.321 1.00 0.00 C ATOM 0 H ILE A 64 120.316 1.879 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 64 121.451 4.306 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 64 122.524 1.452 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.906 2.094 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.651 2.194 -5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.748 2.569 -7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.803 2.989 -9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.945 4.154 -7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.745 4.183 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.495 4.657 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.723 4.556 -5.644 1.00 0.00 H new ATOM 1062 N ALA A 65 120.724 1.953 -9.750 1.00 0.00 N ATOM 1063 CA ALA A 65 120.599 1.713 -11.219 1.00 0.00 C ATOM 1064 C ALA A 65 119.941 2.916 -11.904 1.00 0.00 C ATOM 1065 O ALA A 65 120.072 3.101 -13.098 1.00 0.00 O ATOM 1066 CB ALA A 65 119.747 0.463 -11.459 1.00 0.00 C ATOM 0 H ALA A 65 120.376 1.200 -9.157 1.00 0.00 H new ATOM 0 HA ALA A 65 121.595 1.570 -11.638 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.654 0.286 -12.531 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.223 -0.398 -10.989 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.756 0.610 -11.029 1.00 0.00 H new ATOM 1072 N ARG A 66 119.243 3.744 -11.168 1.00 0.00 N ATOM 1073 CA ARG A 66 118.593 4.938 -11.796 1.00 0.00 C ATOM 1074 C ARG A 66 119.545 6.135 -11.688 1.00 0.00 C ATOM 1075 O ARG A 66 119.728 6.874 -12.634 1.00 0.00 O ATOM 1076 CB ARG A 66 117.265 5.252 -11.074 1.00 0.00 C ATOM 1077 CG ARG A 66 116.106 4.504 -11.749 1.00 0.00 C ATOM 1078 CD ARG A 66 116.333 2.996 -11.642 1.00 0.00 C ATOM 1079 NE ARG A 66 115.135 2.274 -12.153 1.00 0.00 N ATOM 1080 CZ ARG A 66 115.061 0.975 -12.045 1.00 0.00 C ATOM 1081 NH1 ARG A 66 115.784 0.354 -11.154 1.00 0.00 N ATOM 1082 NH2 ARG A 66 114.265 0.297 -12.825 1.00 0.00 N ATOM 0 H ARG A 66 119.095 3.647 -10.164 1.00 0.00 H new ATOM 0 HA ARG A 66 118.380 4.733 -12.845 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.334 4.961 -10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 66 117.076 6.325 -11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 66 115.162 4.774 -11.276 1.00 0.00 H new ATOM 0 HG3 ARG A 66 116.033 4.797 -12.796 1.00 0.00 H new ATOM 0 HD2 ARG A 66 117.215 2.709 -12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 66 116.522 2.719 -10.605 1.00 0.00 H new ATOM 0 HE ARG A 66 114.373 2.794 -12.587 1.00 0.00 H new ATOM 0 HH11 ARG A 66 116.406 0.883 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 66 115.727 -0.661 -11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 66 113.699 0.782 -13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 66 114.209 -0.718 -12.739 1.00 0.00 H new ATOM 1096 N GLY A 67 120.160 6.333 -10.550 1.00 0.00 N ATOM 1097 CA GLY A 67 121.102 7.483 -10.412 1.00 0.00 C ATOM 1098 C GLY A 67 121.225 7.912 -8.945 1.00 0.00 C ATOM 1099 O GLY A 67 122.076 8.708 -8.602 1.00 0.00 O ATOM 0 H GLY A 67 120.052 5.754 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.083 7.204 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.750 8.322 -11.013 1.00 0.00 H new ATOM 1103 N GLY A 68 120.394 7.398 -8.070 1.00 0.00 N ATOM 1104 CA GLY A 68 120.488 7.793 -6.626 1.00 0.00 C ATOM 1105 C GLY A 68 119.094 7.894 -6.008 1.00 0.00 C ATOM 1106 O GLY A 68 118.123 8.180 -6.681 1.00 0.00 O ATOM 0 H GLY A 68 119.659 6.726 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.082 7.060 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 68 121.002 8.750 -6.537 1.00 0.00 H new ATOM 1110 N LEU A 69 118.991 7.674 -4.722 1.00 0.00 N ATOM 1111 CA LEU A 69 117.662 7.773 -4.058 1.00 0.00 C ATOM 1112 C LEU A 69 117.105 9.185 -4.240 1.00 0.00 C ATOM 1113 O LEU A 69 115.927 9.370 -4.475 1.00 0.00 O ATOM 1114 CB LEU A 69 117.809 7.474 -2.561 1.00 0.00 C ATOM 1115 CG LEU A 69 116.460 7.668 -1.840 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.351 6.873 -2.548 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.585 7.175 -0.392 1.00 0.00 C ATOM 0 H LEU A 69 119.768 7.431 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 69 116.981 7.050 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.160 6.452 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.560 8.132 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 69 116.202 8.727 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.406 7.022 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.255 7.220 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.604 5.813 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.633 7.310 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.852 6.118 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.359 7.746 0.121 1.00 0.00 H new ATOM 1129 N VAL A 70 117.937 10.186 -4.129 1.00 0.00 N ATOM 1130 CA VAL A 70 117.439 11.579 -4.294 1.00 0.00 C ATOM 1131 C VAL A 70 116.845 11.717 -5.696 1.00 0.00 C ATOM 1132 O VAL A 70 115.824 12.346 -5.891 1.00 0.00 O ATOM 1133 CB VAL A 70 118.605 12.570 -4.138 1.00 0.00 C ATOM 1134 CG1 VAL A 70 118.123 13.981 -4.493 1.00 0.00 C ATOM 1135 CG2 VAL A 70 119.136 12.555 -2.686 1.00 0.00 C ATOM 0 H VAL A 70 118.934 10.099 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 70 116.684 11.795 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 70 119.412 12.275 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.947 14.685 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.768 13.996 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 70 117.310 14.267 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.961 13.262 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.336 12.839 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.487 11.553 -2.437 1.00 0.00 H new ATOM 1145 N ASP A 71 117.477 11.128 -6.673 1.00 0.00 N ATOM 1146 CA ASP A 71 116.949 11.219 -8.061 1.00 0.00 C ATOM 1147 C ASP A 71 115.600 10.497 -8.142 1.00 0.00 C ATOM 1148 O ASP A 71 114.685 10.943 -8.799 1.00 0.00 O ATOM 1149 CB ASP A 71 117.943 10.569 -9.026 1.00 0.00 C ATOM 1150 CG ASP A 71 119.197 11.440 -9.127 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.095 12.626 -8.859 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.240 10.907 -9.469 1.00 0.00 O ATOM 0 H ASP A 71 118.336 10.588 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 71 116.813 12.266 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.207 9.571 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.488 10.452 -10.010 1.00 0.00 H new ATOM 1157 N VAL A 72 115.471 9.378 -7.492 1.00 0.00 N ATOM 1158 CA VAL A 72 114.181 8.633 -7.548 1.00 0.00 C ATOM 1159 C VAL A 72 113.051 9.490 -6.955 1.00 0.00 C ATOM 1160 O VAL A 72 111.959 9.543 -7.486 1.00 0.00 O ATOM 1161 CB VAL A 72 114.319 7.332 -6.746 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.946 6.670 -6.578 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.259 6.374 -7.488 1.00 0.00 C ATOM 0 H VAL A 72 116.200 8.945 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 72 113.939 8.403 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 72 114.728 7.561 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.054 5.747 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.278 7.348 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.529 6.443 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.358 5.449 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.849 6.152 -8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.239 6.839 -7.599 1.00 0.00 H new ATOM 1173 N ILE A 73 113.295 10.142 -5.850 1.00 0.00 N ATOM 1174 CA ILE A 73 112.224 10.970 -5.215 1.00 0.00 C ATOM 1175 C ILE A 73 111.847 12.165 -6.101 1.00 0.00 C ATOM 1176 O ILE A 73 110.692 12.371 -6.414 1.00 0.00 O ATOM 1177 CB ILE A 73 112.730 11.484 -3.865 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.945 10.295 -2.924 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.700 12.438 -3.252 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.714 10.750 -1.684 1.00 0.00 C ATOM 0 H ILE A 73 114.189 10.138 -5.358 1.00 0.00 H new ATOM 0 HA ILE A 73 111.338 10.350 -5.082 1.00 0.00 H new ATOM 0 HB ILE A 73 113.670 12.017 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.984 9.872 -2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.497 9.508 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.066 12.800 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.542 13.283 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.757 11.911 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.865 9.901 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.682 11.152 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 73 113.145 11.522 -1.166 1.00 0.00 H new ATOM 1192 N ASN A 74 112.802 12.967 -6.488 1.00 0.00 N ATOM 1193 CA ASN A 74 112.475 14.157 -7.328 1.00 0.00 C ATOM 1194 C ASN A 74 111.837 13.725 -8.659 1.00 0.00 C ATOM 1195 O ASN A 74 110.909 14.348 -9.137 1.00 0.00 O ATOM 1196 CB ASN A 74 113.739 15.008 -7.552 1.00 0.00 C ATOM 1197 CG ASN A 74 114.833 14.208 -8.262 1.00 0.00 C ATOM 1198 OD1 ASN A 74 114.565 13.234 -8.921 1.00 0.00 O ATOM 1199 ND2 ASN A 74 116.076 14.590 -8.147 1.00 0.00 N ATOM 0 H ASN A 74 113.790 12.852 -6.261 1.00 0.00 H new ATOM 0 HA ASN A 74 111.744 14.772 -6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 74 113.487 15.887 -8.145 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.113 15.366 -6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 74 116.816 14.065 -8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 74 116.307 15.413 -7.591 1.00 0.00 H new ATOM 1206 N LYS A 75 112.315 12.668 -9.258 1.00 0.00 N ATOM 1207 CA LYS A 75 111.729 12.199 -10.553 1.00 0.00 C ATOM 1208 C LYS A 75 110.572 11.231 -10.275 1.00 0.00 C ATOM 1209 O LYS A 75 109.847 10.843 -11.169 1.00 0.00 O ATOM 1210 CB LYS A 75 112.812 11.478 -11.364 1.00 0.00 C ATOM 1211 CG LYS A 75 113.822 12.484 -11.942 1.00 0.00 C ATOM 1212 CD LYS A 75 113.269 13.135 -13.220 1.00 0.00 C ATOM 1213 CE LYS A 75 114.392 13.897 -13.931 1.00 0.00 C ATOM 1214 NZ LYS A 75 114.807 15.066 -13.106 1.00 0.00 N ATOM 0 H LYS A 75 113.090 12.105 -8.907 1.00 0.00 H new ATOM 0 HA LYS A 75 111.356 13.055 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.330 10.759 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.351 10.913 -12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.041 13.253 -11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.762 11.978 -12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 75 112.857 12.372 -13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 75 112.454 13.815 -12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 75 115.243 13.237 -14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 75 114.053 14.233 -14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 115.470 15.656 -13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 113.969 15.628 -12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 115.272 14.731 -12.238 1.00 0.00 H new ATOM 1228 N LYS A 76 110.399 10.837 -9.041 1.00 0.00 N ATOM 1229 CA LYS A 76 109.294 9.894 -8.691 1.00 0.00 C ATOM 1230 C LYS A 76 109.398 8.625 -9.539 1.00 0.00 C ATOM 1231 O LYS A 76 108.434 8.183 -10.130 1.00 0.00 O ATOM 1232 CB LYS A 76 107.933 10.553 -8.931 1.00 0.00 C ATOM 1233 CG LYS A 76 107.801 11.800 -8.057 1.00 0.00 C ATOM 1234 CD LYS A 76 106.438 12.452 -8.305 1.00 0.00 C ATOM 1235 CE LYS A 76 106.296 13.711 -7.446 1.00 0.00 C ATOM 1236 NZ LYS A 76 106.866 13.466 -6.091 1.00 0.00 N ATOM 0 H LYS A 76 110.979 11.129 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 76 109.385 9.635 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.829 10.822 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.132 9.850 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.903 11.533 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.601 12.504 -8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.334 12.708 -9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.640 11.748 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 76 106.811 14.546 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.245 13.989 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 106.521 14.193 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 106.571 12.527 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 107.904 13.507 -6.139 1.00 0.00 H new ATOM 1250 N LEU A 77 110.556 8.028 -9.594 1.00 0.00 N ATOM 1251 CA LEU A 77 110.716 6.780 -10.395 1.00 0.00 C ATOM 1252 C LEU A 77 110.309 5.586 -9.533 1.00 0.00 C ATOM 1253 O LEU A 77 110.538 4.446 -9.884 1.00 0.00 O ATOM 1254 CB LEU A 77 112.174 6.627 -10.836 1.00 0.00 C ATOM 1255 CG LEU A 77 112.579 7.832 -11.694 1.00 0.00 C ATOM 1256 CD1 LEU A 77 114.067 7.725 -12.044 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.742 7.871 -12.986 1.00 0.00 C ATOM 0 H LEU A 77 111.399 8.350 -9.119 1.00 0.00 H new ATOM 0 HA LEU A 77 110.085 6.829 -11.282 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.823 6.554 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.298 5.705 -11.404 1.00 0.00 H new ATOM 0 HG LEU A 77 112.398 8.749 -11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.360 8.580 -12.654 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.657 7.715 -11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.245 6.804 -12.600 1.00 0.00 H new ATOM 0 HD21 LEU A 77 112.039 8.731 -13.586 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.908 6.956 -13.555 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.685 7.953 -12.732 1.00 0.00 H new ATOM 1269 N TRP A 78 109.700 5.843 -8.407 1.00 0.00 N ATOM 1270 CA TRP A 78 109.272 4.724 -7.525 1.00 0.00 C ATOM 1271 C TRP A 78 108.426 3.754 -8.343 1.00 0.00 C ATOM 1272 O TRP A 78 108.347 2.579 -8.046 1.00 0.00 O ATOM 1273 CB TRP A 78 108.426 5.268 -6.373 1.00 0.00 C ATOM 1274 CG TRP A 78 109.289 6.034 -5.427 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.309 7.381 -5.311 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.251 5.526 -4.460 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.219 7.731 -4.331 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.827 6.622 -3.780 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.675 4.231 -4.111 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.790 6.443 -2.787 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.645 4.047 -3.111 1.00 0.00 C ATOM 1282 CH2 TRP A 78 112.201 5.152 -2.451 1.00 0.00 C ATOM 0 H TRP A 78 109.482 6.778 -8.062 1.00 0.00 H new ATOM 0 HA TRP A 78 110.150 4.219 -7.123 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.637 5.912 -6.762 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.938 4.446 -5.849 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.712 8.071 -5.889 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.417 8.691 -4.050 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.253 3.374 -4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.215 7.298 -2.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.964 3.049 -2.849 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.946 5.005 -1.684 1.00 0.00 H new ATOM 1293 N GLN A 79 107.793 4.239 -9.373 1.00 0.00 N ATOM 1294 CA GLN A 79 106.954 3.344 -10.209 1.00 0.00 C ATOM 1295 C GLN A 79 107.837 2.239 -10.787 1.00 0.00 C ATOM 1296 O GLN A 79 107.450 1.093 -10.851 1.00 0.00 O ATOM 1297 CB GLN A 79 106.330 4.152 -11.350 1.00 0.00 C ATOM 1298 CG GLN A 79 105.408 5.223 -10.765 1.00 0.00 C ATOM 1299 CD GLN A 79 104.189 4.552 -10.128 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.642 3.615 -10.674 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.742 4.993 -8.984 1.00 0.00 N ATOM 0 H GLN A 79 107.821 5.214 -9.670 1.00 0.00 H new ATOM 0 HA GLN A 79 106.161 2.904 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.111 4.617 -11.951 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.768 3.494 -12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 79 105.943 5.812 -10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.090 5.912 -11.548 1.00 0.00 H new ATOM 0 HE21 GLN A 79 104.202 5.780 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.933 4.551 -8.548 1.00 0.00 H new ATOM 1310 N GLU A 80 109.027 2.572 -11.197 1.00 0.00 N ATOM 1311 CA GLU A 80 109.931 1.534 -11.763 1.00 0.00 C ATOM 1312 C GLU A 80 110.189 0.449 -10.711 1.00 0.00 C ATOM 1313 O GLU A 80 110.163 -0.729 -11.007 1.00 0.00 O ATOM 1314 CB GLU A 80 111.252 2.185 -12.178 1.00 0.00 C ATOM 1315 CG GLU A 80 111.011 3.075 -13.401 1.00 0.00 C ATOM 1316 CD GLU A 80 112.325 3.732 -13.827 1.00 0.00 C ATOM 1317 OE1 GLU A 80 113.284 3.633 -13.079 1.00 0.00 O ATOM 1318 OE2 GLU A 80 112.351 4.324 -14.893 1.00 0.00 O ATOM 0 H GLU A 80 109.413 3.516 -11.165 1.00 0.00 H new ATOM 0 HA GLU A 80 109.465 1.078 -12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.654 2.777 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.992 1.419 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 80 110.607 2.481 -14.221 1.00 0.00 H new ATOM 0 HG3 GLU A 80 110.270 3.839 -13.166 1.00 0.00 H new ATOM 1325 N ILE A 81 110.427 0.835 -9.485 1.00 0.00 N ATOM 1326 CA ILE A 81 110.674 -0.181 -8.422 1.00 0.00 C ATOM 1327 C ILE A 81 109.369 -0.927 -8.123 1.00 0.00 C ATOM 1328 O ILE A 81 109.357 -2.125 -7.924 1.00 0.00 O ATOM 1329 CB ILE A 81 111.162 0.523 -7.149 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.524 1.178 -7.407 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.297 -0.501 -6.019 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.888 2.084 -6.228 1.00 0.00 C ATOM 0 H ILE A 81 110.461 1.806 -9.175 1.00 0.00 H new ATOM 0 HA ILE A 81 111.431 -0.889 -8.760 1.00 0.00 H new ATOM 0 HB ILE A 81 110.441 1.290 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.288 0.412 -7.540 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.491 1.759 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.644 -0.001 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.328 -0.963 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 81 112.015 -1.268 -6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.856 2.549 -6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.129 2.858 -6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.938 1.491 -5.315 1.00 0.00 H new ATOM 1344 N ILE A 82 108.273 -0.219 -8.079 1.00 0.00 N ATOM 1345 CA ILE A 82 106.965 -0.869 -7.781 1.00 0.00 C ATOM 1346 C ILE A 82 106.579 -1.841 -8.905 1.00 0.00 C ATOM 1347 O ILE A 82 106.102 -2.928 -8.650 1.00 0.00 O ATOM 1348 CB ILE A 82 105.900 0.220 -7.623 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.182 0.991 -6.323 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.507 -0.413 -7.556 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.330 2.266 -6.238 1.00 0.00 C ATOM 0 H ILE A 82 108.228 0.788 -8.238 1.00 0.00 H new ATOM 0 HA ILE A 82 107.042 -1.442 -6.857 1.00 0.00 H new ATOM 0 HB ILE A 82 105.933 0.897 -8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 82 105.972 0.352 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.239 1.253 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.757 0.370 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.316 -0.970 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.456 -1.090 -6.703 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.551 2.790 -5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.560 2.914 -7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.273 2.000 -6.262 1.00 0.00 H new ATOM 1537 N ALA A 95 104.624 2.326 -2.255 1.00 0.00 N ATOM 1538 CA ALA A 95 105.598 3.416 -2.549 1.00 0.00 C ATOM 1539 C ALA A 95 105.922 4.165 -1.253 1.00 0.00 C ATOM 1540 O ALA A 95 107.069 4.344 -0.894 1.00 0.00 O ATOM 1541 CB ALA A 95 104.976 4.384 -3.570 1.00 0.00 C ATOM 0 HA ALA A 95 106.516 2.996 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.683 5.184 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.742 3.844 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.062 4.811 -3.157 1.00 0.00 H new ATOM 1547 N PHE A 96 104.915 4.602 -0.555 1.00 0.00 N ATOM 1548 CA PHE A 96 105.154 5.341 0.718 1.00 0.00 C ATOM 1549 C PHE A 96 105.904 4.432 1.701 1.00 0.00 C ATOM 1550 O PHE A 96 106.788 4.862 2.413 1.00 0.00 O ATOM 1551 CB PHE A 96 103.812 5.763 1.324 1.00 0.00 C ATOM 1552 CG PHE A 96 104.055 6.543 2.596 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.202 7.934 2.541 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.128 5.880 3.827 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.424 8.663 3.715 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.350 6.610 5.002 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.498 8.001 4.945 1.00 0.00 C ATOM 0 H PHE A 96 103.935 4.481 -0.809 1.00 0.00 H new ATOM 0 HA PHE A 96 105.753 6.230 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.255 6.372 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.204 4.883 1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.144 8.445 1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 96 104.013 4.807 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.538 9.736 3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.407 6.100 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.669 8.563 5.851 1.00 0.00 H new ATOM 1567 N THR A 97 105.550 3.175 1.748 1.00 0.00 N ATOM 1568 CA THR A 97 106.238 2.236 2.683 1.00 0.00 C ATOM 1569 C THR A 97 107.707 2.059 2.282 1.00 0.00 C ATOM 1570 O THR A 97 108.583 1.980 3.120 1.00 0.00 O ATOM 1571 CB THR A 97 105.535 0.875 2.634 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.182 1.025 3.041 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.248 -0.114 3.560 1.00 0.00 C ATOM 0 H THR A 97 104.814 2.757 1.179 1.00 0.00 H new ATOM 0 HA THR A 97 106.195 2.647 3.692 1.00 0.00 H new ATOM 0 HB THR A 97 105.566 0.491 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.732 0.155 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.743 -1.079 3.520 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.283 -0.233 3.238 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.227 0.264 4.582 1.00 0.00 H new ATOM 1581 N LEU A 98 107.985 1.969 1.013 1.00 0.00 N ATOM 1582 CA LEU A 98 109.398 1.770 0.573 1.00 0.00 C ATOM 1583 C LEU A 98 110.259 2.998 0.905 1.00 0.00 C ATOM 1584 O LEU A 98 111.313 2.881 1.499 1.00 0.00 O ATOM 1585 CB LEU A 98 109.425 1.521 -0.942 1.00 0.00 C ATOM 1586 CG LEU A 98 108.914 0.102 -1.262 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.453 0.037 -2.723 1.00 0.00 C ATOM 1588 CD2 LEU A 98 110.035 -0.931 -1.059 1.00 0.00 C ATOM 0 H LEU A 98 107.299 2.024 0.260 1.00 0.00 H new ATOM 0 HA LEU A 98 109.808 0.911 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.806 2.261 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.440 1.642 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 98 108.084 -0.123 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.092 -0.967 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.649 0.755 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.290 0.276 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.658 -1.927 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.869 -0.697 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.374 -0.902 -0.023 1.00 0.00 H new ATOM 1600 N ARG A 99 109.841 4.167 0.500 1.00 0.00 N ATOM 1601 CA ARG A 99 110.659 5.390 0.764 1.00 0.00 C ATOM 1602 C ARG A 99 110.875 5.621 2.270 1.00 0.00 C ATOM 1603 O ARG A 99 111.943 6.028 2.687 1.00 0.00 O ATOM 1604 CB ARG A 99 109.980 6.614 0.136 1.00 0.00 C ATOM 1605 CG ARG A 99 108.677 6.933 0.869 1.00 0.00 C ATOM 1606 CD ARG A 99 107.948 8.068 0.147 1.00 0.00 C ATOM 1607 NE ARG A 99 107.399 7.565 -1.144 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.950 8.407 -2.034 1.00 0.00 C ATOM 1609 NH1 ARG A 99 107.772 9.218 -2.639 1.00 0.00 N ATOM 1610 NH2 ARG A 99 105.676 8.437 -2.318 1.00 0.00 N ATOM 0 H ARG A 99 108.968 4.330 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 99 111.639 5.240 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.650 7.473 0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.775 6.424 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.043 6.047 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.888 7.220 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.142 8.452 0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.633 8.896 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 99 107.374 6.563 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.767 9.195 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.420 9.876 -3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.033 7.803 -1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 99 105.324 9.095 -3.014 1.00 0.00 H new ATOM 1624 N THR A 100 109.881 5.401 3.090 1.00 0.00 N ATOM 1625 CA THR A 100 110.068 5.655 4.551 1.00 0.00 C ATOM 1626 C THR A 100 111.004 4.605 5.174 1.00 0.00 C ATOM 1627 O THR A 100 111.918 4.939 5.901 1.00 0.00 O ATOM 1628 CB THR A 100 108.698 5.660 5.258 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.783 6.451 6.435 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.265 4.238 5.634 1.00 0.00 C ATOM 0 H THR A 100 108.959 5.061 2.817 1.00 0.00 H new ATOM 0 HA THR A 100 110.534 6.632 4.682 1.00 0.00 H new ATOM 0 HB THR A 100 107.958 6.076 4.574 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.914 6.459 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.296 4.272 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.189 3.630 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.002 3.799 6.306 1.00 0.00 H new ATOM 1638 N GLN A 101 110.789 3.346 4.900 1.00 0.00 N ATOM 1639 CA GLN A 101 111.677 2.299 5.487 1.00 0.00 C ATOM 1640 C GLN A 101 113.114 2.538 5.025 1.00 0.00 C ATOM 1641 O GLN A 101 114.057 2.401 5.783 1.00 0.00 O ATOM 1642 CB GLN A 101 111.214 0.918 5.019 1.00 0.00 C ATOM 1643 CG GLN A 101 109.878 0.570 5.679 1.00 0.00 C ATOM 1644 CD GLN A 101 110.101 0.317 7.171 1.00 0.00 C ATOM 1645 OE1 GLN A 101 111.108 -0.243 7.556 1.00 0.00 O ATOM 1646 NE2 GLN A 101 109.198 0.700 8.032 1.00 0.00 N ATOM 0 H GLN A 101 110.042 2.998 4.299 1.00 0.00 H new ATOM 0 HA GLN A 101 111.630 2.348 6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.108 0.908 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.962 0.168 5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 101 109.167 1.384 5.539 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.447 -0.314 5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.352 1.170 7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 101 109.338 0.529 9.028 1.00 0.00 H new ATOM 1655 N TYR A 102 113.285 2.903 3.789 1.00 0.00 N ATOM 1656 CA TYR A 102 114.653 3.158 3.274 1.00 0.00 C ATOM 1657 C TYR A 102 115.273 4.271 4.118 1.00 0.00 C ATOM 1658 O TYR A 102 116.379 4.169 4.608 1.00 0.00 O ATOM 1659 CB TYR A 102 114.555 3.621 1.815 1.00 0.00 C ATOM 1660 CG TYR A 102 115.914 3.572 1.138 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.939 4.453 1.521 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.145 2.645 0.111 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.180 4.401 0.877 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.388 2.600 -0.529 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.404 3.478 -0.144 1.00 0.00 C ATOM 1666 OH TYR A 102 119.627 3.440 -0.776 1.00 0.00 O ATOM 0 H TYR A 102 112.534 3.036 3.112 1.00 0.00 H new ATOM 0 HA TYR A 102 115.263 2.256 3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.852 2.987 1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.162 4.637 1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.769 5.169 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.361 1.964 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.968 5.078 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.562 1.886 -1.321 1.00 0.00 H new ATOM 0 HH TYR A 102 119.630 2.719 -1.440 1.00 0.00 H new ATOM 1676 N MET A 103 114.557 5.341 4.281 1.00 0.00 N ATOM 1677 CA MET A 103 115.077 6.481 5.072 1.00 0.00 C ATOM 1678 C MET A 103 115.344 6.039 6.514 1.00 0.00 C ATOM 1679 O MET A 103 116.191 6.586 7.191 1.00 0.00 O ATOM 1680 CB MET A 103 114.041 7.610 5.055 1.00 0.00 C ATOM 1681 CG MET A 103 113.946 8.204 3.644 1.00 0.00 C ATOM 1682 SD MET A 103 115.348 9.314 3.356 1.00 0.00 S ATOM 1683 CE MET A 103 114.645 10.791 4.137 1.00 0.00 C ATOM 0 H MET A 103 113.622 5.476 3.895 1.00 0.00 H new ATOM 0 HA MET A 103 116.012 6.833 4.637 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.068 7.229 5.366 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.322 8.385 5.768 1.00 0.00 H new ATOM 0 HG2 MET A 103 113.943 7.406 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.009 8.749 3.530 1.00 0.00 H new ATOM 0 HE1 MET A 103 115.435 11.346 4.642 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.187 11.422 3.375 1.00 0.00 H new ATOM 0 HE3 MET A 103 113.889 10.493 4.864 1.00 0.00 H new ATOM 1693 N LYS A 104 114.608 5.078 7.000 1.00 0.00 N ATOM 1694 CA LYS A 104 114.800 4.634 8.410 1.00 0.00 C ATOM 1695 C LYS A 104 116.233 4.109 8.658 1.00 0.00 C ATOM 1696 O LYS A 104 116.834 4.444 9.659 1.00 0.00 O ATOM 1697 CB LYS A 104 113.768 3.537 8.742 1.00 0.00 C ATOM 1698 CG LYS A 104 113.434 3.554 10.246 1.00 0.00 C ATOM 1699 CD LYS A 104 112.339 4.591 10.532 1.00 0.00 C ATOM 1700 CE LYS A 104 112.265 4.850 12.036 1.00 0.00 C ATOM 1701 NZ LYS A 104 111.931 3.581 12.741 1.00 0.00 N ATOM 0 H LYS A 104 113.883 4.581 6.483 1.00 0.00 H new ATOM 0 HA LYS A 104 114.653 5.495 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.860 3.694 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.162 2.560 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.102 2.566 10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.329 3.790 10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.554 5.519 10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 104 111.377 4.231 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 104 113.217 5.239 12.396 1.00 0.00 H new ATOM 0 HE3 LYS A 104 111.510 5.607 12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 111.616 3.794 13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 111.170 3.090 12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 112.773 2.972 12.777 1.00 0.00 H new ATOM 1715 N TYR A 105 116.785 3.280 7.790 1.00 0.00 N ATOM 1716 CA TYR A 105 118.178 2.748 8.051 1.00 0.00 C ATOM 1717 C TYR A 105 119.027 2.682 6.774 1.00 0.00 C ATOM 1718 O TYR A 105 120.146 2.208 6.819 1.00 0.00 O ATOM 1719 CB TYR A 105 118.098 1.321 8.606 1.00 0.00 C ATOM 1720 CG TYR A 105 117.331 1.296 9.904 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.976 1.607 11.109 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.978 0.951 9.903 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.259 1.575 12.311 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.262 0.918 11.101 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.901 1.230 12.308 1.00 0.00 C ATOM 1726 OH TYR A 105 115.195 1.198 13.493 1.00 0.00 O ATOM 0 H TYR A 105 116.345 2.953 6.930 1.00 0.00 H new ATOM 0 HA TYR A 105 118.641 3.435 8.760 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.613 0.669 7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.103 0.930 8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.023 1.871 11.110 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.484 0.709 8.973 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.753 1.816 13.241 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.215 0.652 11.097 1.00 0.00 H new ATOM 0 HH TYR A 105 114.266 0.941 13.314 1.00 0.00 H new ATOM 1736 N LEU A 106 118.524 3.104 5.638 1.00 0.00 N ATOM 1737 CA LEU A 106 119.336 3.000 4.373 1.00 0.00 C ATOM 1738 C LEU A 106 119.740 4.380 3.833 1.00 0.00 C ATOM 1739 O LEU A 106 120.627 4.477 3.009 1.00 0.00 O ATOM 1740 CB LEU A 106 118.511 2.245 3.324 1.00 0.00 C ATOM 1741 CG LEU A 106 118.470 0.736 3.681 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.169 0.097 3.164 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.677 0.019 3.051 1.00 0.00 C ATOM 0 H LEU A 106 117.596 3.513 5.527 1.00 0.00 H new ATOM 0 HA LEU A 106 120.258 2.462 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.499 2.647 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 106 118.948 2.383 2.335 1.00 0.00 H new ATOM 0 HG LEU A 106 118.508 0.634 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.156 -0.962 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.313 0.593 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.115 0.207 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.644 -1.041 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.644 0.134 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.600 0.455 3.434 1.00 0.00 H new ATOM 1755 N TYR A 107 119.128 5.452 4.271 1.00 0.00 N ATOM 1756 CA TYR A 107 119.552 6.781 3.731 1.00 0.00 C ATOM 1757 C TYR A 107 120.938 7.165 4.280 1.00 0.00 C ATOM 1758 O TYR A 107 121.734 7.733 3.557 1.00 0.00 O ATOM 1759 CB TYR A 107 118.508 7.876 4.028 1.00 0.00 C ATOM 1760 CG TYR A 107 119.114 9.236 3.761 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.498 9.578 2.460 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.300 10.146 4.809 1.00 0.00 C ATOM 1763 CE1 TYR A 107 120.068 10.829 2.204 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.869 11.399 4.552 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.253 11.740 3.249 1.00 0.00 C ATOM 1766 OH TYR A 107 120.819 12.973 2.995 1.00 0.00 O ATOM 0 H TYR A 107 118.375 5.468 4.959 1.00 0.00 H new ATOM 0 HA TYR A 107 119.624 6.696 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.625 7.731 3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.180 7.809 5.065 1.00 0.00 H new ATOM 0 HD1 TYR A 107 119.354 8.875 1.653 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.005 9.882 5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 107 120.365 11.092 1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.012 12.103 5.359 1.00 0.00 H new ATOM 0 HH TYR A 107 120.601 13.251 2.081 1.00 0.00 H new ATOM 1776 N PRO A 108 121.266 6.857 5.518 1.00 0.00 N ATOM 1777 CA PRO A 108 122.614 7.206 6.036 1.00 0.00 C ATOM 1778 C PRO A 108 123.659 6.281 5.406 1.00 0.00 C ATOM 1779 O PRO A 108 124.793 6.653 5.177 1.00 0.00 O ATOM 1780 CB PRO A 108 122.469 6.962 7.555 1.00 0.00 C ATOM 1781 CG PRO A 108 121.030 6.474 7.829 1.00 0.00 C ATOM 1782 CD PRO A 108 120.365 6.160 6.479 1.00 0.00 C ATOM 0 HA PRO A 108 122.939 8.221 5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.193 6.220 7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.672 7.879 8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 108 121.043 5.587 8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.465 7.238 8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.316 5.088 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.344 6.539 6.429 1.00 0.00 H new ATOM 1790 N TYR A 109 123.255 5.076 5.115 1.00 0.00 N ATOM 1791 CA TYR A 109 124.176 4.095 4.484 1.00 0.00 C ATOM 1792 C TYR A 109 124.453 4.549 3.045 1.00 0.00 C ATOM 1793 O TYR A 109 125.569 4.498 2.566 1.00 0.00 O ATOM 1794 CB TYR A 109 123.498 2.716 4.497 1.00 0.00 C ATOM 1795 CG TYR A 109 124.529 1.624 4.334 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.519 1.454 5.311 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.497 0.781 3.215 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.476 0.448 5.167 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.455 -0.227 3.074 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.447 -0.393 4.047 1.00 0.00 C ATOM 1801 OH TYR A 109 127.393 -1.385 3.902 1.00 0.00 O ATOM 0 H TYR A 109 122.313 4.727 5.291 1.00 0.00 H new ATOM 0 HA TYR A 109 125.120 4.032 5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 109 122.957 2.578 5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.764 2.656 3.693 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.542 2.101 6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.733 0.910 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.239 0.318 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.430 -0.879 2.213 1.00 0.00 H new ATOM 0 HH TYR A 109 127.227 -1.876 3.071 1.00 0.00 H new ATOM 1811 N GLU A 110 123.439 5.018 2.369 1.00 0.00 N ATOM 1812 CA GLU A 110 123.606 5.513 0.977 1.00 0.00 C ATOM 1813 C GLU A 110 124.656 6.624 0.969 1.00 0.00 C ATOM 1814 O GLU A 110 125.557 6.643 0.155 1.00 0.00 O ATOM 1815 CB GLU A 110 122.250 6.073 0.511 1.00 0.00 C ATOM 1816 CG GLU A 110 122.368 6.753 -0.859 1.00 0.00 C ATOM 1817 CD GLU A 110 122.819 5.738 -1.903 1.00 0.00 C ATOM 1818 OE1 GLU A 110 124.017 5.595 -2.083 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.959 5.125 -2.513 1.00 0.00 O ATOM 0 H GLU A 110 122.487 5.079 2.731 1.00 0.00 H new ATOM 0 HA GLU A 110 123.930 4.712 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.520 5.265 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.879 6.789 1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 110 121.408 7.181 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.081 7.576 -0.807 1.00 0.00 H new ATOM 1826 N CYS A 111 124.526 7.561 1.865 1.00 0.00 N ATOM 1827 CA CYS A 111 125.490 8.695 1.919 1.00 0.00 C ATOM 1828 C CYS A 111 126.913 8.191 2.194 1.00 0.00 C ATOM 1829 O CYS A 111 127.876 8.702 1.656 1.00 0.00 O ATOM 1830 CB CYS A 111 125.074 9.649 3.041 1.00 0.00 C ATOM 1831 SG CYS A 111 126.236 11.035 3.115 1.00 0.00 S ATOM 0 H CYS A 111 123.787 7.590 2.568 1.00 0.00 H new ATOM 0 HA CYS A 111 125.481 9.207 0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 111 124.063 10.017 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 111 125.059 9.122 3.995 1.00 0.00 H new ATOM 0 HG CYS A 111 125.883 11.847 4.066 1.00 0.00 H new ATOM 1837 N GLU A 112 127.057 7.226 3.059 1.00 0.00 N ATOM 1838 CA GLU A 112 128.420 6.722 3.410 1.00 0.00 C ATOM 1839 C GLU A 112 129.088 5.999 2.231 1.00 0.00 C ATOM 1840 O GLU A 112 130.258 6.190 1.970 1.00 0.00 O ATOM 1841 CB GLU A 112 128.291 5.750 4.593 1.00 0.00 C ATOM 1842 CG GLU A 112 129.674 5.253 5.038 1.00 0.00 C ATOM 1843 CD GLU A 112 130.511 6.431 5.539 1.00 0.00 C ATOM 1844 OE1 GLU A 112 129.927 7.445 5.883 1.00 0.00 O ATOM 1845 OE2 GLU A 112 131.724 6.297 5.577 1.00 0.00 O ATOM 0 H GLU A 112 126.288 6.761 3.541 1.00 0.00 H new ATOM 0 HA GLU A 112 129.045 7.576 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.792 6.246 5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.668 4.902 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.567 4.509 5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 112 130.180 4.763 4.206 1.00 0.00 H new ATOM 1852 N LYS A 113 128.388 5.136 1.548 1.00 0.00 N ATOM 1853 CA LYS A 113 129.042 4.379 0.438 1.00 0.00 C ATOM 1854 C LYS A 113 129.372 5.272 -0.768 1.00 0.00 C ATOM 1855 O LYS A 113 130.411 5.111 -1.375 1.00 0.00 O ATOM 1856 CB LYS A 113 128.113 3.252 -0.014 1.00 0.00 C ATOM 1857 CG LYS A 113 128.038 2.175 1.074 1.00 0.00 C ATOM 1858 CD LYS A 113 127.309 0.941 0.530 1.00 0.00 C ATOM 1859 CE LYS A 113 125.857 1.293 0.192 1.00 0.00 C ATOM 1860 NZ LYS A 113 125.803 1.943 -1.146 1.00 0.00 N ATOM 0 H LYS A 113 127.403 4.922 1.706 1.00 0.00 H new ATOM 0 HA LYS A 113 129.982 3.982 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.118 3.648 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 113 128.479 2.818 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 113 129.042 1.902 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 113 127.514 2.563 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 113 127.818 0.571 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 113 127.335 0.139 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 113 125.243 0.392 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 113 125.448 1.961 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 125.435 2.911 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 126.759 1.976 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 125.178 1.397 -1.772 1.00 0.00 H new ATOM 1874 N LYS A 114 128.507 6.193 -1.143 1.00 0.00 N ATOM 1875 CA LYS A 114 128.804 7.063 -2.339 1.00 0.00 C ATOM 1876 C LYS A 114 128.645 8.552 -2.014 1.00 0.00 C ATOM 1877 O LYS A 114 129.057 9.395 -2.786 1.00 0.00 O ATOM 1878 CB LYS A 114 127.851 6.704 -3.487 1.00 0.00 C ATOM 1879 CG LYS A 114 128.236 5.340 -4.077 1.00 0.00 C ATOM 1880 CD LYS A 114 127.401 5.050 -5.334 1.00 0.00 C ATOM 1881 CE LYS A 114 126.011 4.539 -4.941 1.00 0.00 C ATOM 1882 NZ LYS A 114 126.152 3.323 -4.092 1.00 0.00 N ATOM 0 H LYS A 114 127.618 6.380 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 114 129.839 6.882 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.824 6.676 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.895 7.470 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 114 129.297 5.330 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 114 128.075 4.557 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 114 127.307 5.955 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 114 127.907 4.309 -5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 114 125.467 5.313 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 114 125.431 4.307 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 125.880 2.483 -4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 127.140 3.229 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 125.534 3.407 -3.260 1.00 0.00 H new ATOM 1896 N ASN A 115 128.047 8.903 -0.909 1.00 0.00 N ATOM 1897 CA ASN A 115 127.881 10.359 -0.613 1.00 0.00 C ATOM 1898 C ASN A 115 127.226 11.027 -1.830 1.00 0.00 C ATOM 1899 O ASN A 115 127.723 11.998 -2.366 1.00 0.00 O ATOM 1900 CB ASN A 115 129.250 10.991 -0.354 1.00 0.00 C ATOM 1901 CG ASN A 115 129.064 12.404 0.197 1.00 0.00 C ATOM 1902 OD1 ASN A 115 129.110 13.368 -0.540 1.00 0.00 O ATOM 1903 ND2 ASN A 115 128.851 12.569 1.474 1.00 0.00 N ATOM 0 H ASN A 115 127.672 8.262 -0.210 1.00 0.00 H new ATOM 0 HA ASN A 115 127.258 10.494 0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.814 10.384 0.355 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.828 11.023 -1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 115 128.723 13.507 1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 115 128.812 11.759 2.093 1.00 0.00 H new ATOM 1910 N LEU A 116 126.127 10.484 -2.284 1.00 0.00 N ATOM 1911 CA LEU A 116 125.441 11.042 -3.487 1.00 0.00 C ATOM 1912 C LEU A 116 125.024 12.496 -3.248 1.00 0.00 C ATOM 1913 O LEU A 116 125.105 13.325 -4.134 1.00 0.00 O ATOM 1914 CB LEU A 116 124.170 10.231 -3.756 1.00 0.00 C ATOM 1915 CG LEU A 116 124.509 8.758 -4.011 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.209 7.948 -4.011 1.00 0.00 C ATOM 1917 CD2 LEU A 116 125.211 8.595 -5.369 1.00 0.00 C ATOM 0 H LEU A 116 125.672 9.671 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 116 126.130 10.992 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.495 10.311 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.646 10.643 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 116 125.179 8.402 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.435 6.897 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.715 8.052 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.550 8.317 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.445 7.543 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.554 8.950 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 116 126.133 9.176 -5.374 1.00 0.00 H new ATOM 1929 N SER A 117 124.549 12.809 -2.075 1.00 0.00 N ATOM 1930 CA SER A 117 124.096 14.205 -1.807 1.00 0.00 C ATOM 1931 C SER A 117 124.051 14.451 -0.293 1.00 0.00 C ATOM 1932 O SER A 117 124.568 13.662 0.474 1.00 0.00 O ATOM 1933 CB SER A 117 122.710 14.395 -2.421 1.00 0.00 C ATOM 1934 OG SER A 117 121.722 14.081 -1.451 1.00 0.00 O ATOM 0 H SER A 117 124.454 12.162 -1.292 1.00 0.00 H new ATOM 0 HA SER A 117 124.790 14.919 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 117 122.588 15.423 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 117 122.595 13.754 -3.295 1.00 0.00 H new ATOM 0 HG SER A 117 121.680 13.109 -1.330 1.00 0.00 H new ATOM 1940 N THR A 118 123.462 15.549 0.150 1.00 0.00 N ATOM 1941 CA THR A 118 123.417 15.846 1.624 1.00 0.00 C ATOM 1942 C THR A 118 121.954 15.942 2.094 1.00 0.00 C ATOM 1943 O THR A 118 121.085 16.297 1.333 1.00 0.00 O ATOM 1944 CB THR A 118 124.110 17.193 1.855 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.598 18.146 0.936 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.616 17.035 1.642 1.00 0.00 C ATOM 0 H THR A 118 123.014 16.246 -0.444 1.00 0.00 H new ATOM 0 HA THR A 118 123.916 15.053 2.182 1.00 0.00 H new ATOM 0 HB THR A 118 123.923 17.531 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.038 19.010 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 118 126.109 17.993 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 118 126.008 16.300 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.806 16.699 0.623 1.00 0.00 H new ATOM 1954 N PRO A 119 121.663 15.641 3.340 1.00 0.00 N ATOM 1955 CA PRO A 119 120.259 15.740 3.823 1.00 0.00 C ATOM 1956 C PRO A 119 119.651 17.122 3.527 1.00 0.00 C ATOM 1957 O PRO A 119 118.449 17.293 3.530 1.00 0.00 O ATOM 1958 CB PRO A 119 120.404 15.490 5.342 1.00 0.00 C ATOM 1959 CG PRO A 119 121.898 15.259 5.662 1.00 0.00 C ATOM 1960 CD PRO A 119 122.674 15.186 4.337 1.00 0.00 C ATOM 0 HA PRO A 119 119.585 15.037 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 119 120.024 16.343 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.814 14.623 5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 119 122.282 16.069 6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 119 122.026 14.336 6.228 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.553 15.831 4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 119 123.023 14.175 4.127 1.00 0.00 H new ATOM 1968 N ALA A 120 120.475 18.104 3.271 1.00 0.00 N ATOM 1969 CA ALA A 120 119.938 19.467 2.976 1.00 0.00 C ATOM 1970 C ALA A 120 119.245 19.470 1.614 1.00 0.00 C ATOM 1971 O ALA A 120 118.070 19.759 1.501 1.00 0.00 O ATOM 1972 CB ALA A 120 121.080 20.481 2.965 1.00 0.00 C ATOM 0 H ALA A 120 121.492 18.023 3.253 1.00 0.00 H new ATOM 0 HA ALA A 120 119.218 19.738 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.684 21.473 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.569 20.489 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.804 20.205 2.198 1.00 0.00 H new ATOM 1978 N GLU A 121 119.972 19.155 0.578 1.00 0.00 N ATOM 1979 CA GLU A 121 119.373 19.141 -0.785 1.00 0.00 C ATOM 1980 C GLU A 121 118.259 18.091 -0.851 1.00 0.00 C ATOM 1981 O GLU A 121 117.327 18.212 -1.622 1.00 0.00 O ATOM 1982 CB GLU A 121 120.460 18.844 -1.832 1.00 0.00 C ATOM 1983 CG GLU A 121 121.282 17.620 -1.434 1.00 0.00 C ATOM 1984 CD GLU A 121 120.455 16.355 -1.671 1.00 0.00 C ATOM 1985 OE1 GLU A 121 120.145 16.088 -2.818 1.00 0.00 O ATOM 1986 OE2 GLU A 121 120.152 15.673 -0.708 1.00 0.00 O ATOM 0 H GLU A 121 120.960 18.906 0.618 1.00 0.00 H new ATOM 0 HA GLU A 121 118.943 20.119 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.997 18.675 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 121 121.115 19.709 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 121 122.202 17.581 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 121 121.571 17.688 -0.385 1.00 0.00 H new ATOM 1993 N LEU A 122 118.336 17.071 -0.042 1.00 0.00 N ATOM 1994 CA LEU A 122 117.268 16.029 -0.052 1.00 0.00 C ATOM 1995 C LEU A 122 115.934 16.690 0.293 1.00 0.00 C ATOM 1996 O LEU A 122 114.937 16.482 -0.368 1.00 0.00 O ATOM 1997 CB LEU A 122 117.606 14.941 0.971 1.00 0.00 C ATOM 1998 CG LEU A 122 116.420 13.980 1.156 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.942 13.443 -0.197 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.873 12.803 2.018 1.00 0.00 C ATOM 0 H LEU A 122 119.091 16.913 0.625 1.00 0.00 H new ATOM 0 HA LEU A 122 117.198 15.569 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.483 14.384 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.861 15.400 1.926 1.00 0.00 H new ATOM 0 HG LEU A 122 115.600 14.518 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.102 12.765 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.626 14.274 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.757 12.907 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 122 116.041 12.113 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.695 12.285 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 122 117.207 13.170 2.989 1.00 0.00 H new ATOM 2012 N GLN A 123 115.909 17.507 1.310 1.00 0.00 N ATOM 2013 CA GLN A 123 114.638 18.194 1.669 1.00 0.00 C ATOM 2014 C GLN A 123 114.198 19.029 0.473 1.00 0.00 C ATOM 2015 O GLN A 123 113.034 19.078 0.131 1.00 0.00 O ATOM 2016 CB GLN A 123 114.863 19.101 2.881 1.00 0.00 C ATOM 2017 CG GLN A 123 115.063 18.246 4.134 1.00 0.00 C ATOM 2018 CD GLN A 123 113.728 17.617 4.538 1.00 0.00 C ATOM 2019 OE1 GLN A 123 113.635 16.418 4.707 1.00 0.00 O ATOM 2020 NE2 GLN A 123 112.684 18.383 4.705 1.00 0.00 N ATOM 0 H GLN A 123 116.708 17.727 1.904 1.00 0.00 H new ATOM 0 HA GLN A 123 113.871 17.462 1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.736 19.733 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 123 114.009 19.765 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 123 115.801 17.467 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 123 115.450 18.859 4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 123 112.762 19.390 4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 123 111.790 17.974 4.977 1.00 0.00 H new ATOM 2029 N ALA A 124 115.126 19.662 -0.185 1.00 0.00 N ATOM 2030 CA ALA A 124 114.759 20.464 -1.377 1.00 0.00 C ATOM 2031 C ALA A 124 114.116 19.519 -2.395 1.00 0.00 C ATOM 2032 O ALA A 124 113.160 19.863 -3.061 1.00 0.00 O ATOM 2033 CB ALA A 124 116.018 21.105 -1.974 1.00 0.00 C ATOM 0 H ALA A 124 116.118 19.658 0.051 1.00 0.00 H new ATOM 0 HA ALA A 124 114.063 21.259 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.746 21.694 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.484 21.753 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.720 20.324 -2.266 1.00 0.00 H new ATOM 2039 N ALA A 125 114.630 18.320 -2.504 1.00 0.00 N ATOM 2040 CA ALA A 125 114.042 17.343 -3.462 1.00 0.00 C ATOM 2041 C ALA A 125 112.614 17.008 -3.016 1.00 0.00 C ATOM 2042 O ALA A 125 111.694 16.996 -3.810 1.00 0.00 O ATOM 2043 CB ALA A 125 114.887 16.061 -3.478 1.00 0.00 C ATOM 0 H ALA A 125 115.430 17.978 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 125 114.027 17.774 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.454 15.348 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.905 16.300 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.903 15.623 -2.480 1.00 0.00 H new ATOM 2049 N ILE A 126 112.419 16.743 -1.748 1.00 0.00 N ATOM 2050 CA ILE A 126 111.046 16.420 -1.261 1.00 0.00 C ATOM 2051 C ILE A 126 110.177 17.681 -1.311 1.00 0.00 C ATOM 2052 O ILE A 126 109.036 17.648 -1.726 1.00 0.00 O ATOM 2053 CB ILE A 126 111.125 15.902 0.180 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.787 14.519 0.181 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.712 15.793 0.775 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.186 14.134 1.610 1.00 0.00 C ATOM 0 H ILE A 126 113.148 16.737 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 126 110.604 15.653 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 126 111.713 16.595 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.100 13.777 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.667 14.527 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.776 15.424 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.239 16.775 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.118 15.102 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 126 112.656 13.150 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 126 112.889 14.869 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.298 14.108 2.241 1.00 0.00 H new