USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 957 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 145 MET CE :methyl -154:sc= -1.05 (180deg=-3.27!) USER MOD Set 1.2: A 146 THR OG1 : rot 69:sc= 1.12 USER MOD Set 2.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 137 ASN : amide:sc= -0.738 K(o=-0.74,f=-1.6) USER MOD Set 3.1: A 36 MET CE :methyl -106:sc= -1.39 (180deg=-3.15!) USER MOD Set 3.2: A 72 MET CE :methyl -132:sc= -1.2 (180deg=-4.98!) USER MOD Set 4.1: A 26 THR OG1 : rot -147:sc= 1.05 USER MOD Set 4.2: A 62 THR OG1 : rot 145:sc= 1.23 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 105:sc= 0.236 USER MOD Single : A 28 THR OG1 : rot 140:sc= -0.446 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 38 SER OG : rot -92:sc= -0.0181 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0295 X(o=-0.029,f=-0.029) USER MOD Single : A 44 THR OG1 : rot 176:sc= 1.23 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -121:sc= -1.25 (180deg=-3.87!) USER MOD Single : A 53 ASN : amide:sc= -0.0997 X(o=-0.1,f=-0.0038) USER MOD Single : A 70 THR OG1 : rot -170:sc= -2.28! USER MOD Single : A 71 MET CE :methyl 169:sc= -0.682 (180deg=-0.898) USER MOD Single : A 81 SER OG : rot 8:sc= 0.993 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.442 (180deg=-0.688) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.198 F(o=-0.7,f=0.2) USER MOD Single : A 109 MET CE :methyl 142:sc= -2.76! (180deg=-6.03!) USER MOD Single : A 110 THR OG1 : rot 123:sc= 0.982 USER MOD Single : A 111 ASN :FLIP amide:sc= 1.03 F(o=-0.35,f=1) USER MOD Single : A 115 LYS NZ :NH3+ 162:sc= 0.123 (180deg=0.0611) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 139:sc= -3.1! (180deg=-6.79!) USER MOD Single : A 135 GLN : amide:sc= -0.462 K(o=-0.46,f=-3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.28 F(o=-3.9!,f=-0.28) USER MOD Single : A 144 MET CE :methyl -137:sc= -1.18 (180deg=-5.22!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 10.360 16.574 -6.154 1.00 3.51 N ATOM 91 CA GLU A 7 9.485 16.993 -7.253 1.00 3.59 C ATOM 92 C GLU A 7 8.105 16.345 -7.188 1.00 3.35 C ATOM 93 O GLU A 7 7.168 16.838 -7.822 1.00 3.38 O ATOM 94 CB GLU A 7 10.140 16.702 -8.610 1.00 3.93 C ATOM 95 CG GLU A 7 11.308 17.623 -8.954 1.00 4.45 C ATOM 96 CD GLU A 7 10.862 18.977 -9.478 1.00 5.14 C ATOM 97 OE1 GLU A 7 10.681 19.901 -8.658 1.00 5.54 O ATOM 98 OE2 GLU A 7 10.694 19.111 -10.709 1.00 5.58 O ATOM 0 HA GLU A 7 9.342 18.068 -7.143 1.00 3.59 H new ATOM 0 HB2 GLU A 7 10.492 15.670 -8.617 1.00 3.93 H new ATOM 0 HB3 GLU A 7 9.384 16.786 -9.391 1.00 3.93 H new ATOM 0 HG2 GLU A 7 11.923 17.768 -8.066 1.00 4.45 H new ATOM 0 HG3 GLU A 7 11.937 17.139 -9.702 1.00 4.45 H new ATOM 105 N GLN A 8 7.975 15.232 -6.443 1.00 3.16 N ATOM 106 CA GLN A 8 6.677 14.568 -6.284 1.00 2.96 C ATOM 107 C GLN A 8 5.707 15.511 -5.613 1.00 2.69 C ATOM 108 O GLN A 8 4.520 15.513 -5.923 1.00 2.63 O ATOM 109 CB GLN A 8 6.800 13.253 -5.505 1.00 2.87 C ATOM 110 CG GLN A 8 7.487 12.139 -6.283 1.00 3.23 C ATOM 111 CD GLN A 8 7.602 10.856 -5.483 1.00 3.13 C ATOM 112 OE1 GLN A 8 6.713 10.005 -5.523 1.00 3.27 O ATOM 113 NE2 GLN A 8 8.700 10.711 -4.751 1.00 3.29 N ATOM 0 H GLN A 8 8.745 14.781 -5.949 1.00 3.16 H new ATOM 0 HA GLN A 8 6.299 14.311 -7.273 1.00 2.96 H new ATOM 0 HB2 GLN A 8 7.356 13.437 -4.585 1.00 2.87 H new ATOM 0 HB3 GLN A 8 5.804 12.919 -5.214 1.00 2.87 H new ATOM 0 HG2 GLN A 8 6.930 11.943 -7.199 1.00 3.23 H new ATOM 0 HG3 GLN A 8 8.483 12.468 -6.580 1.00 3.23 H new ATOM 0 HE21 GLN A 8 9.411 11.442 -4.748 1.00 3.29 H new ATOM 0 HE22 GLN A 8 8.833 9.868 -4.192 1.00 3.29 H new ATOM 122 N ILE A 9 6.242 16.304 -4.688 1.00 2.59 N ATOM 123 CA ILE A 9 5.500 17.354 -4.022 1.00 2.41 C ATOM 124 C ILE A 9 4.943 18.305 -5.079 1.00 2.64 C ATOM 125 O ILE A 9 3.780 18.699 -5.010 1.00 2.55 O ATOM 126 CB ILE A 9 6.423 18.075 -3.018 1.00 2.42 C ATOM 127 CG1 ILE A 9 6.571 17.193 -1.780 1.00 2.20 C ATOM 128 CG2 ILE A 9 5.930 19.478 -2.681 1.00 2.45 C ATOM 129 CD1 ILE A 9 7.757 16.261 -1.861 1.00 2.35 C ATOM 0 H ILE A 9 7.212 16.230 -4.382 1.00 2.59 H new ATOM 0 HA ILE A 9 4.662 16.944 -3.459 1.00 2.41 H new ATOM 0 HB ILE A 9 7.403 18.223 -3.471 1.00 2.42 H new ATOM 0 HG12 ILE A 9 6.673 17.826 -0.899 1.00 2.20 H new ATOM 0 HG13 ILE A 9 5.662 16.606 -1.648 1.00 2.20 H new ATOM 0 HG21 ILE A 9 6.614 19.943 -1.971 1.00 2.45 H new ATOM 0 HG22 ILE A 9 5.888 20.077 -3.591 1.00 2.45 H new ATOM 0 HG23 ILE A 9 4.935 19.418 -2.240 1.00 2.45 H new ATOM 0 HD11 ILE A 9 7.810 15.660 -0.953 1.00 2.35 H new ATOM 0 HD12 ILE A 9 7.646 15.605 -2.724 1.00 2.35 H new ATOM 0 HD13 ILE A 9 8.672 16.844 -1.964 1.00 2.35 H new ATOM 141 N ALA A 10 5.803 18.664 -6.058 1.00 2.97 N ATOM 142 CA ALA A 10 5.384 19.492 -7.197 1.00 3.26 C ATOM 143 C ALA A 10 4.224 18.831 -7.935 1.00 3.27 C ATOM 144 O ALA A 10 3.390 19.512 -8.539 1.00 3.43 O ATOM 145 CB ALA A 10 6.550 19.761 -8.138 1.00 3.61 C ATOM 0 H ALA A 10 6.786 18.392 -6.077 1.00 2.97 H new ATOM 0 HA ALA A 10 5.043 20.454 -6.814 1.00 3.26 H new ATOM 0 HB1 ALA A 10 6.211 20.376 -8.972 1.00 3.61 H new ATOM 0 HB2 ALA A 10 7.339 20.285 -7.599 1.00 3.61 H new ATOM 0 HB3 ALA A 10 6.936 18.815 -8.518 1.00 3.61 H new ATOM 151 N GLU A 11 4.189 17.491 -7.874 1.00 3.14 N ATOM 152 CA GLU A 11 3.098 16.709 -8.461 1.00 3.18 C ATOM 153 C GLU A 11 1.939 16.634 -7.481 1.00 2.87 C ATOM 154 O GLU A 11 0.783 16.448 -7.866 1.00 2.94 O ATOM 155 CB GLU A 11 3.552 15.291 -8.788 1.00 3.24 C ATOM 156 CG GLU A 11 4.660 15.205 -9.831 1.00 3.63 C ATOM 157 CD GLU A 11 5.073 13.777 -10.126 1.00 3.78 C ATOM 158 OE1 GLU A 11 4.506 13.176 -11.063 1.00 4.13 O ATOM 159 OE2 GLU A 11 5.964 13.259 -9.421 1.00 3.90 O ATOM 0 H GLU A 11 4.909 16.927 -7.421 1.00 3.14 H new ATOM 0 HA GLU A 11 2.788 17.203 -9.382 1.00 3.18 H new ATOM 0 HB2 GLU A 11 3.896 14.813 -7.871 1.00 3.24 H new ATOM 0 HB3 GLU A 11 2.693 14.721 -9.142 1.00 3.24 H new ATOM 0 HG2 GLU A 11 4.324 15.680 -10.753 1.00 3.63 H new ATOM 0 HG3 GLU A 11 5.527 15.765 -9.482 1.00 3.63 H new ATOM 166 N PHE A 12 2.287 16.761 -6.202 1.00 2.56 N ATOM 167 CA PHE A 12 1.319 16.737 -5.115 1.00 2.24 C ATOM 168 C PHE A 12 0.512 18.042 -5.049 1.00 2.30 C ATOM 169 O PHE A 12 -0.681 18.010 -4.731 1.00 2.22 O ATOM 170 CB PHE A 12 2.033 16.494 -3.776 1.00 1.94 C ATOM 171 CG PHE A 12 2.495 15.064 -3.522 1.00 1.85 C ATOM 172 CD1 PHE A 12 2.949 14.699 -2.259 1.00 2.28 C ATOM 173 CD2 PHE A 12 2.447 14.078 -4.510 1.00 2.07 C ATOM 174 CE1 PHE A 12 3.331 13.398 -1.987 1.00 2.34 C ATOM 175 CE2 PHE A 12 2.841 12.787 -4.238 1.00 2.03 C ATOM 176 CZ PHE A 12 3.276 12.441 -2.987 1.00 1.90 C ATOM 0 H PHE A 12 3.251 16.884 -5.893 1.00 2.56 H new ATOM 0 HA PHE A 12 0.623 15.921 -5.308 1.00 2.24 H new ATOM 0 HB2 PHE A 12 2.901 17.151 -3.724 1.00 1.94 H new ATOM 0 HB3 PHE A 12 1.362 16.788 -2.969 1.00 1.94 H new ATOM 0 HD1 PHE A 12 3.004 15.443 -1.478 1.00 2.28 H new ATOM 0 HD2 PHE A 12 2.096 14.331 -5.500 1.00 2.07 H new ATOM 0 HE1 PHE A 12 3.671 13.129 -0.998 1.00 2.34 H new ATOM 0 HE2 PHE A 12 2.807 12.041 -5.018 1.00 2.03 H new ATOM 0 HZ PHE A 12 3.576 11.424 -2.780 1.00 1.90 H new ATOM 186 N LYS A 13 1.162 19.194 -5.350 1.00 2.51 N ATOM 187 CA LYS A 13 0.470 20.497 -5.317 1.00 2.67 C ATOM 188 C LYS A 13 -0.380 20.745 -6.557 1.00 2.96 C ATOM 189 O LYS A 13 -1.319 21.539 -6.496 1.00 3.07 O ATOM 190 CB LYS A 13 1.422 21.686 -5.080 1.00 2.86 C ATOM 191 CG LYS A 13 2.794 21.589 -5.754 1.00 3.04 C ATOM 192 CD LYS A 13 3.931 21.637 -4.729 1.00 2.93 C ATOM 193 CE LYS A 13 4.211 23.053 -4.227 1.00 3.15 C ATOM 194 NZ LYS A 13 5.329 23.083 -3.244 1.00 3.58 N ATOM 0 H LYS A 13 2.146 19.243 -5.613 1.00 2.51 H new ATOM 0 HA LYS A 13 -0.196 20.433 -4.457 1.00 2.67 H new ATOM 0 HB2 LYS A 13 0.931 22.595 -5.428 1.00 2.86 H new ATOM 0 HB3 LYS A 13 1.573 21.797 -4.006 1.00 2.86 H new ATOM 0 HG2 LYS A 13 2.856 20.661 -6.323 1.00 3.04 H new ATOM 0 HG3 LYS A 13 2.909 22.407 -6.465 1.00 3.04 H new ATOM 0 HD2 LYS A 13 3.679 20.999 -3.882 1.00 2.93 H new ATOM 0 HD3 LYS A 13 4.837 21.229 -5.177 1.00 2.93 H new ATOM 0 HE2 LYS A 13 4.454 23.696 -5.073 1.00 3.15 H new ATOM 0 HE3 LYS A 13 3.311 23.459 -3.766 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 5.487 24.061 -2.928 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 5.087 22.489 -2.425 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 6.195 22.719 -3.691 1.00 3.58 H new ATOM 208 N GLU A 14 -0.066 20.083 -7.685 1.00 3.12 N ATOM 209 CA GLU A 14 -0.878 20.255 -8.899 1.00 3.43 C ATOM 210 C GLU A 14 -2.246 19.564 -8.729 1.00 3.34 C ATOM 211 O GLU A 14 -3.232 19.950 -9.364 1.00 3.56 O ATOM 212 CB GLU A 14 -0.139 19.746 -10.157 1.00 3.67 C ATOM 213 CG GLU A 14 0.214 18.260 -10.156 1.00 4.07 C ATOM 214 CD GLU A 14 1.165 17.886 -11.276 1.00 4.36 C ATOM 215 OE1 GLU A 14 2.391 18.040 -11.091 1.00 4.71 O ATOM 216 OE2 GLU A 14 0.685 17.437 -12.338 1.00 4.52 O ATOM 0 H GLU A 14 0.722 19.442 -7.780 1.00 3.12 H new ATOM 0 HA GLU A 14 -1.049 21.322 -9.044 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -0.758 19.954 -11.030 1.00 3.67 H new ATOM 0 HB3 GLU A 14 0.780 20.320 -10.274 1.00 3.67 H new ATOM 0 HG2 GLU A 14 0.665 17.998 -9.199 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -0.700 17.673 -10.249 1.00 4.07 H new ATOM 223 N ALA A 15 -2.273 18.538 -7.859 1.00 3.04 N ATOM 224 CA ALA A 15 -3.488 17.774 -7.569 1.00 2.97 C ATOM 225 C ALA A 15 -4.308 18.378 -6.434 1.00 2.76 C ATOM 226 O ALA A 15 -5.467 18.737 -6.633 1.00 2.91 O ATOM 227 CB ALA A 15 -3.137 16.315 -7.251 1.00 2.84 C ATOM 0 H ALA A 15 -1.453 18.220 -7.342 1.00 3.04 H new ATOM 0 HA ALA A 15 -4.107 17.814 -8.465 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -4.050 15.759 -7.037 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -2.632 15.868 -8.107 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -2.479 16.280 -6.382 1.00 2.84 H new ATOM 233 N PHE A 16 -3.707 18.470 -5.238 1.00 2.45 N ATOM 234 CA PHE A 16 -4.374 19.029 -4.051 1.00 2.28 C ATOM 235 C PHE A 16 -5.038 20.365 -4.372 1.00 2.56 C ATOM 236 O PHE A 16 -6.166 20.629 -3.958 1.00 2.60 O ATOM 237 CB PHE A 16 -3.340 19.221 -2.936 1.00 2.02 C ATOM 238 CG PHE A 16 -3.887 19.582 -1.569 1.00 1.86 C ATOM 239 CD1 PHE A 16 -3.748 18.698 -0.509 1.00 2.18 C ATOM 240 CD2 PHE A 16 -4.497 20.813 -1.334 1.00 2.17 C ATOM 241 CE1 PHE A 16 -4.200 19.019 0.746 1.00 2.21 C ATOM 242 CE2 PHE A 16 -4.960 21.133 -0.072 1.00 2.07 C ATOM 243 CZ PHE A 16 -4.806 20.231 0.967 1.00 1.79 C ATOM 0 H PHE A 16 -2.750 18.161 -5.066 1.00 2.45 H new ATOM 0 HA PHE A 16 -5.149 18.334 -3.727 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -2.763 18.301 -2.842 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -2.645 20.002 -3.244 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -3.276 17.741 -0.674 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -4.608 21.520 -2.142 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -4.079 18.319 1.559 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -5.441 22.084 0.103 1.00 2.07 H new ATOM 0 HZ PHE A 16 -5.164 20.482 1.955 1.00 1.79 H new ATOM 253 N SER A 17 -4.324 21.184 -5.136 1.00 2.80 N ATOM 254 CA SER A 17 -4.793 22.496 -5.513 1.00 3.11 C ATOM 255 C SER A 17 -5.934 22.460 -6.516 1.00 3.36 C ATOM 256 O SER A 17 -6.662 23.449 -6.650 1.00 3.59 O ATOM 257 CB SER A 17 -3.645 23.332 -6.063 1.00 3.33 C ATOM 258 OG SER A 17 -2.709 23.649 -5.047 1.00 3.30 O ATOM 0 H SER A 17 -3.404 20.949 -5.508 1.00 2.80 H new ATOM 0 HA SER A 17 -5.185 22.954 -4.605 1.00 3.11 H new ATOM 0 HB2 SER A 17 -3.146 22.787 -6.864 1.00 3.33 H new ATOM 0 HB3 SER A 17 -4.037 24.251 -6.499 1.00 3.33 H new ATOM 0 HG SER A 17 -1.910 23.092 -5.153 1.00 3.30 H new ATOM 264 N LEU A 18 -6.101 21.330 -7.224 1.00 3.35 N ATOM 265 CA LEU A 18 -7.172 21.214 -8.200 1.00 3.63 C ATOM 266 C LEU A 18 -8.522 21.176 -7.498 1.00 3.56 C ATOM 267 O LEU A 18 -9.575 21.420 -8.093 1.00 3.81 O ATOM 268 CB LEU A 18 -6.946 20.003 -9.116 1.00 3.72 C ATOM 269 CG LEU A 18 -7.573 18.695 -8.651 1.00 3.54 C ATOM 270 CD1 LEU A 18 -8.981 18.523 -9.214 1.00 3.79 C ATOM 271 CD2 LEU A 18 -6.711 17.494 -9.012 1.00 3.53 C ATOM 0 H LEU A 18 -5.513 20.502 -7.134 1.00 3.35 H new ATOM 0 HA LEU A 18 -7.168 22.094 -8.843 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -7.338 20.241 -10.105 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -5.872 19.850 -9.227 1.00 3.72 H new ATOM 0 HG LEU A 18 -7.639 18.747 -7.564 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -9.400 17.580 -8.863 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -9.610 19.347 -8.878 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -8.939 18.519 -10.303 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -7.194 16.581 -8.663 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -6.587 17.447 -10.094 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -5.734 17.592 -8.538 1.00 3.53 H new ATOM 283 N PHE A 19 -8.430 20.862 -6.225 1.00 3.24 N ATOM 284 CA PHE A 19 -9.580 20.783 -5.339 1.00 3.16 C ATOM 285 C PHE A 19 -9.549 21.948 -4.350 1.00 3.11 C ATOM 286 O PHE A 19 -10.423 22.065 -3.482 1.00 3.07 O ATOM 287 CB PHE A 19 -9.571 19.451 -4.581 1.00 2.89 C ATOM 288 CG PHE A 19 -9.622 18.223 -5.460 1.00 3.01 C ATOM 289 CD1 PHE A 19 -10.784 17.874 -6.137 1.00 3.31 C ATOM 290 CD2 PHE A 19 -8.504 17.416 -5.604 1.00 3.27 C ATOM 291 CE1 PHE A 19 -10.826 16.748 -6.937 1.00 3.50 C ATOM 292 CE2 PHE A 19 -8.542 16.289 -6.403 1.00 3.41 C ATOM 293 CZ PHE A 19 -9.704 15.955 -7.070 1.00 3.37 C ATOM 0 H PHE A 19 -7.544 20.651 -5.766 1.00 3.24 H new ATOM 0 HA PHE A 19 -10.492 20.842 -5.933 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -8.672 19.404 -3.967 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -10.423 19.430 -3.901 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -11.665 18.490 -6.037 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -7.592 17.671 -5.085 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -11.736 16.489 -7.458 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -7.663 15.670 -6.506 1.00 3.41 H new ATOM 0 HZ PHE A 19 -9.735 15.075 -7.695 1.00 3.37 H new ATOM 303 N ALA A 20 -8.534 22.821 -4.502 1.00 3.18 N ATOM 304 CA ALA A 20 -8.364 23.990 -3.609 1.00 3.22 C ATOM 305 C ALA A 20 -9.476 25.040 -3.789 1.00 3.51 C ATOM 306 O ALA A 20 -9.382 25.932 -4.643 1.00 3.80 O ATOM 307 CB ALA A 20 -6.991 24.624 -3.811 1.00 3.38 C ATOM 0 H ALA A 20 -7.823 22.742 -5.229 1.00 3.18 H new ATOM 0 HA ALA A 20 -8.440 23.620 -2.586 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -6.885 25.481 -3.146 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -6.215 23.892 -3.586 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -6.891 24.952 -4.845 1.00 3.38 H new ATOM 354 N ASP A 24 -8.367 28.191 3.468 1.00 3.98 N ATOM 355 CA ASP A 24 -7.097 28.077 4.218 1.00 3.89 C ATOM 356 C ASP A 24 -6.045 27.297 3.411 1.00 3.62 C ATOM 357 O ASP A 24 -4.875 27.213 3.797 1.00 3.56 O ATOM 358 CB ASP A 24 -7.335 27.391 5.568 1.00 3.77 C ATOM 359 CG ASP A 24 -8.120 28.260 6.534 1.00 4.13 C ATOM 360 OD1 ASP A 24 -9.366 28.177 6.529 1.00 4.50 O ATOM 361 OD2 ASP A 24 -7.487 29.022 7.295 1.00 4.32 O ATOM 0 HA ASP A 24 -6.718 29.084 4.391 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -7.872 26.457 5.407 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -6.375 27.133 6.015 1.00 3.77 H new ATOM 366 N GLY A 25 -6.505 26.743 2.286 1.00 3.50 N ATOM 367 CA GLY A 25 -5.669 25.982 1.374 1.00 3.30 C ATOM 368 C GLY A 25 -5.737 24.534 1.733 1.00 2.90 C ATOM 369 O GLY A 25 -4.719 23.875 1.967 1.00 2.69 O ATOM 0 H GLY A 25 -7.477 26.815 1.986 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -6.003 26.130 0.347 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -4.639 26.334 1.428 1.00 3.30 H new ATOM 373 N THR A 26 -6.982 24.053 1.768 1.00 2.85 N ATOM 374 CA THR A 26 -7.273 22.691 2.146 1.00 2.53 C ATOM 375 C THR A 26 -8.151 21.967 1.131 1.00 2.45 C ATOM 376 O THR A 26 -8.647 22.573 0.175 1.00 2.66 O ATOM 377 CB THR A 26 -7.963 22.630 3.514 1.00 2.59 C ATOM 378 OG1 THR A 26 -9.262 23.235 3.480 1.00 2.84 O ATOM 379 CG2 THR A 26 -7.109 23.302 4.535 1.00 2.74 C ATOM 0 H THR A 26 -7.807 24.605 1.533 1.00 2.85 H new ATOM 0 HA THR A 26 -6.307 22.188 2.188 1.00 2.53 H new ATOM 0 HB THR A 26 -8.097 21.581 3.780 1.00 2.59 H new ATOM 0 HG1 THR A 26 -9.452 23.652 4.346 1.00 2.84 H new ATOM 0 HG21 THR A 26 -7.601 23.258 5.507 1.00 2.74 H new ATOM 0 HG22 THR A 26 -6.145 22.796 4.593 1.00 2.74 H new ATOM 0 HG23 THR A 26 -6.956 24.344 4.253 1.00 2.74 H new ATOM 387 N ILE A 27 -8.344 20.658 1.367 1.00 2.21 N ATOM 388 CA ILE A 27 -9.177 19.804 0.499 1.00 2.22 C ATOM 389 C ILE A 27 -9.828 18.703 1.341 1.00 2.15 C ATOM 390 O ILE A 27 -9.723 18.717 2.559 1.00 2.13 O ATOM 391 CB ILE A 27 -8.396 19.176 -0.707 1.00 2.13 C ATOM 392 CG1 ILE A 27 -7.301 18.213 -0.213 1.00 1.82 C ATOM 393 CG2 ILE A 27 -7.837 20.271 -1.619 1.00 2.31 C ATOM 394 CD1 ILE A 27 -6.696 17.357 -1.307 1.00 1.79 C ATOM 0 H ILE A 27 -7.931 20.164 2.158 1.00 2.21 H new ATOM 0 HA ILE A 27 -9.938 20.449 0.059 1.00 2.22 H new ATOM 0 HB ILE A 27 -9.093 18.585 -1.302 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -6.509 18.792 0.261 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -7.722 17.562 0.553 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -7.299 19.813 -2.449 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -8.657 20.875 -2.007 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -7.156 20.905 -1.051 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -5.933 16.706 -0.880 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -7.476 16.750 -1.767 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -6.243 17.999 -2.063 1.00 1.79 H new ATOM 406 N THR A 28 -10.525 17.785 0.694 1.00 2.23 N ATOM 407 CA THR A 28 -11.177 16.674 1.393 1.00 2.29 C ATOM 408 C THR A 28 -10.407 15.377 1.119 1.00 2.17 C ATOM 409 O THR A 28 -9.500 15.348 0.279 1.00 2.04 O ATOM 410 CB THR A 28 -12.701 16.561 1.040 1.00 2.57 C ATOM 411 OG1 THR A 28 -13.208 15.243 1.298 1.00 2.86 O ATOM 412 CG2 THR A 28 -12.987 16.941 -0.408 1.00 3.10 C ATOM 0 H THR A 28 -10.658 17.781 -0.317 1.00 2.23 H new ATOM 0 HA THR A 28 -11.147 16.869 2.465 1.00 2.29 H new ATOM 0 HB THR A 28 -13.214 17.271 1.689 1.00 2.57 H new ATOM 0 HG1 THR A 28 -14.104 15.308 1.690 1.00 2.86 H new ATOM 0 HG21 THR A 28 -14.055 16.847 -0.605 1.00 3.10 H new ATOM 0 HG22 THR A 28 -12.675 17.971 -0.582 1.00 3.10 H new ATOM 0 HG23 THR A 28 -12.436 16.277 -1.074 1.00 3.10 H new ATOM 420 N THR A 29 -10.780 14.315 1.829 1.00 2.30 N ATOM 421 CA THR A 29 -10.086 13.028 1.751 1.00 2.30 C ATOM 422 C THR A 29 -10.317 12.221 0.473 1.00 2.50 C ATOM 423 O THR A 29 -9.351 11.757 -0.138 1.00 2.44 O ATOM 424 CB THR A 29 -10.424 12.161 2.951 1.00 2.48 C ATOM 425 OG1 THR A 29 -11.840 12.132 3.178 1.00 2.75 O ATOM 426 CG2 THR A 29 -9.701 12.708 4.160 1.00 2.32 C ATOM 0 H THR A 29 -11.570 14.320 2.474 1.00 2.30 H new ATOM 0 HA THR A 29 -9.031 13.302 1.741 1.00 2.30 H new ATOM 0 HB THR A 29 -10.103 11.137 2.762 1.00 2.48 H new ATOM 0 HG1 THR A 29 -12.035 11.567 3.954 1.00 2.75 H new ATOM 0 HG21 THR A 29 -9.934 12.096 5.031 1.00 2.32 H new ATOM 0 HG22 THR A 29 -8.626 12.690 3.980 1.00 2.32 H new ATOM 0 HG23 THR A 29 -10.021 13.734 4.342 1.00 2.32 H new ATOM 434 N LYS A 30 -11.583 12.035 0.083 1.00 2.77 N ATOM 435 CA LYS A 30 -11.931 11.257 -1.127 1.00 3.04 C ATOM 436 C LYS A 30 -11.154 11.723 -2.373 1.00 2.98 C ATOM 437 O LYS A 30 -10.702 10.902 -3.176 1.00 3.14 O ATOM 438 CB LYS A 30 -13.453 11.301 -1.388 1.00 3.33 C ATOM 439 CG LYS A 30 -14.075 12.702 -1.387 1.00 3.42 C ATOM 440 CD LYS A 30 -15.329 12.747 -0.531 1.00 3.38 C ATOM 441 CE LYS A 30 -15.967 14.126 -0.549 1.00 3.68 C ATOM 442 NZ LYS A 30 -17.211 14.174 0.269 1.00 3.70 N ATOM 0 H LYS A 30 -12.389 12.410 0.583 1.00 2.77 H new ATOM 0 HA LYS A 30 -11.635 10.226 -0.934 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -13.654 10.832 -2.351 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -13.953 10.698 -0.630 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -13.350 13.424 -1.012 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -14.318 12.995 -2.408 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -16.045 12.009 -0.893 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -15.081 12.473 0.494 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -15.255 14.860 -0.171 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -16.198 14.406 -1.577 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -17.615 15.132 0.230 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -17.900 13.492 -0.107 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -16.987 13.932 1.255 1.00 3.70 H new ATOM 456 N GLU A 31 -11.015 13.044 -2.508 1.00 2.81 N ATOM 457 CA GLU A 31 -10.307 13.656 -3.638 1.00 2.81 C ATOM 458 C GLU A 31 -8.803 13.850 -3.380 1.00 2.52 C ATOM 459 O GLU A 31 -8.072 14.190 -4.317 1.00 2.57 O ATOM 460 CB GLU A 31 -10.965 14.996 -3.998 1.00 2.89 C ATOM 461 CG GLU A 31 -12.383 14.855 -4.546 1.00 3.24 C ATOM 462 CD GLU A 31 -13.160 16.159 -4.530 1.00 3.22 C ATOM 463 OE1 GLU A 31 -13.445 16.669 -3.426 1.00 3.26 O ATOM 464 OE2 GLU A 31 -13.491 16.666 -5.623 1.00 3.60 O ATOM 0 H GLU A 31 -11.388 13.719 -1.840 1.00 2.81 H new ATOM 0 HA GLU A 31 -10.386 12.963 -4.476 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -10.989 15.629 -3.111 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -10.348 15.507 -4.737 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -12.335 14.480 -5.568 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -12.921 14.111 -3.958 1.00 3.24 H new ATOM 471 N LEU A 32 -8.321 13.633 -2.133 1.00 2.26 N ATOM 472 CA LEU A 32 -6.884 13.815 -1.850 1.00 1.98 C ATOM 473 C LEU A 32 -6.052 12.650 -2.331 1.00 2.07 C ATOM 474 O LEU A 32 -4.914 12.832 -2.745 1.00 1.98 O ATOM 475 CB LEU A 32 -6.575 14.126 -0.387 1.00 1.69 C ATOM 476 CG LEU A 32 -6.886 13.104 0.713 1.00 1.74 C ATOM 477 CD1 LEU A 32 -5.865 11.977 0.809 1.00 1.76 C ATOM 478 CD2 LEU A 32 -6.865 13.861 1.993 1.00 1.59 C ATOM 0 H LEU A 32 -8.886 13.342 -1.335 1.00 2.26 H new ATOM 0 HA LEU A 32 -6.602 14.699 -2.422 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -5.510 14.350 -0.325 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -7.109 15.042 -0.134 1.00 1.69 H new ATOM 0 HG LEU A 32 -7.844 12.633 0.490 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -6.151 11.294 1.609 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -5.831 11.435 -0.136 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -4.881 12.395 1.023 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -7.081 13.184 2.820 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -5.880 14.306 2.136 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -7.618 14.648 1.963 1.00 1.59 H new ATOM 490 N GLY A 33 -6.602 11.448 -2.223 1.00 2.31 N ATOM 491 CA GLY A 33 -5.911 10.274 -2.738 1.00 2.52 C ATOM 492 C GLY A 33 -5.767 10.368 -4.228 1.00 2.75 C ATOM 493 O GLY A 33 -4.963 9.666 -4.829 1.00 2.91 O ATOM 0 H GLY A 33 -7.507 11.261 -1.792 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -4.928 10.190 -2.275 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -6.465 9.373 -2.475 1.00 2.52 H new ATOM 497 N THR A 34 -6.602 11.239 -4.817 1.00 2.81 N ATOM 498 CA THR A 34 -6.556 11.531 -6.236 1.00 3.07 C ATOM 499 C THR A 34 -5.272 12.285 -6.520 1.00 2.93 C ATOM 500 O THR A 34 -4.804 12.394 -7.657 1.00 3.16 O ATOM 501 CB THR A 34 -7.811 12.295 -6.736 1.00 3.23 C ATOM 502 OG1 THR A 34 -8.988 11.746 -6.129 1.00 3.30 O ATOM 503 CG2 THR A 34 -7.954 12.212 -8.255 1.00 3.60 C ATOM 0 H THR A 34 -7.323 11.754 -4.312 1.00 2.81 H new ATOM 0 HA THR A 34 -6.564 10.595 -6.794 1.00 3.07 H new ATOM 0 HB THR A 34 -7.692 13.342 -6.456 1.00 3.23 H new ATOM 0 HG1 THR A 34 -9.777 12.233 -6.446 1.00 3.30 H new ATOM 0 HG21 THR A 34 -8.844 12.759 -8.567 1.00 3.60 H new ATOM 0 HG22 THR A 34 -7.075 12.650 -8.728 1.00 3.60 H new ATOM 0 HG23 THR A 34 -8.045 11.168 -8.555 1.00 3.60 H new ATOM 511 N VAL A 35 -4.745 12.793 -5.422 1.00 2.56 N ATOM 512 CA VAL A 35 -3.452 13.461 -5.383 1.00 2.39 C ATOM 513 C VAL A 35 -2.423 12.357 -5.400 1.00 2.44 C ATOM 514 O VAL A 35 -1.401 12.482 -6.066 1.00 2.53 O ATOM 515 CB VAL A 35 -3.170 14.327 -4.103 1.00 2.01 C ATOM 516 CG1 VAL A 35 -1.709 14.775 -4.040 1.00 1.92 C ATOM 517 CG2 VAL A 35 -4.048 15.555 -4.016 1.00 2.02 C ATOM 0 H VAL A 35 -5.209 12.754 -4.515 1.00 2.56 H new ATOM 0 HA VAL A 35 -3.423 14.153 -6.224 1.00 2.39 H new ATOM 0 HB VAL A 35 -3.400 13.675 -3.260 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -1.550 15.372 -3.142 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -1.061 13.899 -4.013 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -1.474 15.374 -4.920 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -3.806 16.112 -3.111 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -3.877 16.187 -4.887 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -5.095 15.253 -3.987 1.00 2.02 H new ATOM 527 N MET A 36 -2.714 11.260 -4.661 1.00 2.44 N ATOM 528 CA MET A 36 -1.770 10.162 -4.593 1.00 2.55 C ATOM 529 C MET A 36 -1.882 9.219 -5.792 1.00 2.97 C ATOM 530 O MET A 36 -0.861 8.771 -6.323 1.00 3.11 O ATOM 531 CB MET A 36 -1.921 9.335 -3.312 1.00 2.49 C ATOM 532 CG MET A 36 -1.846 10.134 -2.018 1.00 2.24 C ATOM 533 SD MET A 36 -1.736 9.079 -0.559 1.00 2.48 S ATOM 534 CE MET A 36 -2.085 10.254 0.747 1.00 1.96 C ATOM 0 H MET A 36 -3.572 11.129 -4.125 1.00 2.44 H new ATOM 0 HA MET A 36 -0.789 10.637 -4.599 1.00 2.55 H new ATOM 0 HB2 MET A 36 -2.878 8.814 -3.345 1.00 2.49 H new ATOM 0 HB3 MET A 36 -1.143 8.572 -3.296 1.00 2.49 H new ATOM 0 HG2 MET A 36 -0.979 10.793 -2.052 1.00 2.24 H new ATOM 0 HG3 MET A 36 -2.727 10.770 -1.936 1.00 2.24 H new ATOM 0 HE1 MET A 36 -1.164 10.491 1.279 1.00 1.96 H new ATOM 0 HE2 MET A 36 -2.499 11.165 0.315 1.00 1.96 H new ATOM 0 HE3 MET A 36 -2.805 9.822 1.442 1.00 1.96 H new ATOM 544 N ARG A 37 -3.127 8.942 -6.233 1.00 3.18 N ATOM 545 CA ARG A 37 -3.395 8.001 -7.303 1.00 3.60 C ATOM 546 C ARG A 37 -2.860 8.493 -8.665 1.00 3.77 C ATOM 547 O ARG A 37 -2.682 7.701 -9.596 1.00 4.10 O ATOM 548 CB ARG A 37 -4.922 7.742 -7.314 1.00 3.78 C ATOM 549 CG ARG A 37 -5.584 7.684 -8.681 1.00 4.18 C ATOM 550 CD ARG A 37 -5.396 6.324 -9.342 1.00 4.52 C ATOM 551 NE ARG A 37 -6.327 5.318 -8.818 1.00 4.90 N ATOM 552 CZ ARG A 37 -6.422 4.058 -9.266 1.00 5.36 C ATOM 553 NH1 ARG A 37 -5.647 3.618 -10.255 1.00 5.45 N ATOM 554 NH2 ARG A 37 -7.303 3.233 -8.716 1.00 5.91 N ATOM 0 H ARG A 37 -3.966 9.374 -5.846 1.00 3.18 H new ATOM 0 HA ARG A 37 -2.864 7.066 -7.126 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -5.113 6.800 -6.801 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -5.406 8.526 -6.732 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -6.649 7.895 -8.579 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -5.165 8.461 -9.321 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -5.539 6.422 -10.418 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -4.372 5.985 -9.186 1.00 4.52 H new ATOM 0 HE ARG A 37 -6.947 5.598 -8.058 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -4.966 4.243 -10.686 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -5.734 2.656 -10.582 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -7.902 3.559 -7.958 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -7.381 2.273 -9.051 1.00 5.91 H new ATOM 568 N SER A 38 -2.596 9.798 -8.747 1.00 3.57 N ATOM 569 CA SER A 38 -2.096 10.436 -9.972 1.00 3.76 C ATOM 570 C SER A 38 -0.602 10.171 -10.218 1.00 3.81 C ATOM 571 O SER A 38 -0.103 10.431 -11.318 1.00 4.08 O ATOM 572 CB SER A 38 -2.354 11.945 -9.915 1.00 3.59 C ATOM 573 OG SER A 38 -1.802 12.517 -8.740 1.00 3.89 O ATOM 0 H SER A 38 -2.722 10.445 -7.968 1.00 3.57 H new ATOM 0 HA SER A 38 -2.639 9.992 -10.806 1.00 3.76 H new ATOM 0 HB2 SER A 38 -1.921 12.424 -10.793 1.00 3.59 H new ATOM 0 HB3 SER A 38 -3.427 12.134 -9.945 1.00 3.59 H new ATOM 0 HG SER A 38 -2.477 12.520 -8.029 1.00 3.89 H new ATOM 579 N LEU A 39 0.104 9.655 -9.200 1.00 3.59 N ATOM 580 CA LEU A 39 1.539 9.366 -9.330 1.00 3.65 C ATOM 581 C LEU A 39 1.806 7.868 -9.505 1.00 3.91 C ATOM 582 O LEU A 39 2.930 7.465 -9.822 1.00 4.06 O ATOM 583 CB LEU A 39 2.326 9.904 -8.130 1.00 3.29 C ATOM 584 CG LEU A 39 2.103 11.382 -7.835 1.00 3.06 C ATOM 585 CD1 LEU A 39 1.108 11.530 -6.711 1.00 2.78 C ATOM 586 CD2 LEU A 39 3.401 12.084 -7.500 1.00 3.19 C ATOM 0 H LEU A 39 -0.291 9.431 -8.287 1.00 3.59 H new ATOM 0 HA LEU A 39 1.882 9.877 -10.230 1.00 3.65 H new ATOM 0 HB2 LEU A 39 2.055 9.326 -7.246 1.00 3.29 H new ATOM 0 HB3 LEU A 39 3.389 9.739 -8.306 1.00 3.29 H new ATOM 0 HG LEU A 39 1.703 11.855 -8.732 1.00 3.06 H new ATOM 0 HD11 LEU A 39 0.950 12.588 -6.502 1.00 2.78 H new ATOM 0 HD12 LEU A 39 0.162 11.072 -7.000 1.00 2.78 H new ATOM 0 HD13 LEU A 39 1.492 11.037 -5.818 1.00 2.78 H new ATOM 0 HD21 LEU A 39 3.203 13.136 -7.295 1.00 3.19 H new ATOM 0 HD22 LEU A 39 3.848 11.621 -6.620 1.00 3.19 H new ATOM 0 HD23 LEU A 39 4.088 12.001 -8.343 1.00 3.19 H new ATOM 598 N GLY A 40 0.762 7.057 -9.304 1.00 4.01 N ATOM 599 CA GLY A 40 0.881 5.610 -9.433 1.00 4.30 C ATOM 600 C GLY A 40 0.828 4.890 -8.095 1.00 4.16 C ATOM 601 O GLY A 40 1.346 3.777 -7.966 1.00 4.36 O ATOM 0 H GLY A 40 -0.171 7.382 -9.052 1.00 4.01 H new ATOM 0 HA2 GLY A 40 0.078 5.240 -10.071 1.00 4.30 H new ATOM 0 HA3 GLY A 40 1.820 5.371 -9.932 1.00 4.30 H new ATOM 605 N GLN A 41 0.198 5.533 -7.097 1.00 3.86 N ATOM 606 CA GLN A 41 0.063 4.974 -5.749 1.00 3.74 C ATOM 607 C GLN A 41 -1.224 5.510 -5.123 1.00 3.60 C ATOM 608 O GLN A 41 -1.352 6.712 -4.906 1.00 3.46 O ATOM 609 CB GLN A 41 1.292 5.372 -4.896 1.00 3.47 C ATOM 610 CG GLN A 41 1.431 4.639 -3.561 1.00 3.68 C ATOM 611 CD GLN A 41 1.976 3.230 -3.711 1.00 3.94 C ATOM 612 OE1 GLN A 41 1.220 2.273 -3.873 1.00 4.34 O ATOM 613 NE2 GLN A 41 3.297 3.098 -3.656 1.00 4.15 N ATOM 0 H GLN A 41 -0.230 6.453 -7.206 1.00 3.86 H new ATOM 0 HA GLN A 41 0.015 3.886 -5.794 1.00 3.74 H new ATOM 0 HB2 GLN A 41 2.193 5.195 -5.483 1.00 3.47 H new ATOM 0 HB3 GLN A 41 1.245 6.443 -4.700 1.00 3.47 H new ATOM 0 HG2 GLN A 41 2.090 5.210 -2.907 1.00 3.68 H new ATOM 0 HG3 GLN A 41 0.457 4.596 -3.074 1.00 3.68 H new ATOM 0 HE21 GLN A 41 3.886 3.919 -3.520 1.00 4.15 H new ATOM 0 HE22 GLN A 41 3.722 2.175 -3.750 1.00 4.15 H new ATOM 622 N ASN A 42 -2.156 4.618 -4.801 1.00 3.76 N ATOM 623 CA ASN A 42 -3.422 5.030 -4.222 1.00 3.68 C ATOM 624 C ASN A 42 -3.486 4.697 -2.711 1.00 3.53 C ATOM 625 O ASN A 42 -2.912 3.687 -2.293 1.00 3.67 O ATOM 626 CB ASN A 42 -4.604 4.381 -4.972 1.00 4.06 C ATOM 627 CG ASN A 42 -4.532 2.859 -5.041 1.00 4.60 C ATOM 628 OD1 ASN A 42 -3.969 2.295 -5.979 1.00 4.82 O ATOM 629 ND2 ASN A 42 -5.103 2.194 -4.044 1.00 5.19 N ATOM 0 H ASN A 42 -2.056 3.611 -4.932 1.00 3.76 H new ATOM 0 HA ASN A 42 -3.498 6.112 -4.329 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -5.534 4.669 -4.482 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -4.641 4.779 -5.986 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -5.086 1.174 -4.035 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -5.559 2.703 -3.287 1.00 5.19 H new ATOM 636 N PRO A 43 -4.179 5.527 -1.865 1.00 3.30 N ATOM 637 CA PRO A 43 -4.298 5.279 -0.417 1.00 3.22 C ATOM 638 C PRO A 43 -5.509 4.401 -0.056 1.00 3.54 C ATOM 639 O PRO A 43 -6.327 4.082 -0.923 1.00 3.81 O ATOM 640 CB PRO A 43 -4.468 6.694 0.169 1.00 2.89 C ATOM 641 CG PRO A 43 -4.642 7.627 -0.996 1.00 2.92 C ATOM 642 CD PRO A 43 -4.884 6.776 -2.213 1.00 3.17 C ATOM 0 HA PRO A 43 -3.437 4.735 -0.029 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -5.333 6.737 0.831 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -3.598 6.974 0.762 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -5.480 8.303 -0.826 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -3.755 8.246 -1.129 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -5.947 6.609 -2.388 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -4.480 7.233 -3.116 1.00 3.17 H new ATOM 650 N THR A 44 -5.610 4.017 1.232 1.00 3.56 N ATOM 651 CA THR A 44 -6.722 3.187 1.726 1.00 3.90 C ATOM 652 C THR A 44 -8.008 4.023 1.866 1.00 3.85 C ATOM 653 O THR A 44 -7.960 5.252 1.797 1.00 3.54 O ATOM 654 CB THR A 44 -6.384 2.523 3.086 1.00 4.01 C ATOM 655 OG1 THR A 44 -4.963 2.416 3.252 1.00 3.86 O ATOM 656 CG2 THR A 44 -7.004 1.134 3.184 1.00 4.50 C ATOM 0 H THR A 44 -4.931 4.271 1.950 1.00 3.56 H new ATOM 0 HA THR A 44 -6.882 2.399 0.991 1.00 3.90 H new ATOM 0 HB THR A 44 -6.797 3.153 3.874 1.00 4.01 H new ATOM 0 HG1 THR A 44 -4.764 2.060 4.143 1.00 3.86 H new ATOM 0 HG21 THR A 44 -6.752 0.690 4.147 1.00 4.50 H new ATOM 0 HG22 THR A 44 -8.087 1.212 3.093 1.00 4.50 H new ATOM 0 HG23 THR A 44 -6.617 0.505 2.382 1.00 4.50 H new ATOM 664 N GLU A 45 -9.148 3.343 2.060 1.00 4.21 N ATOM 665 CA GLU A 45 -10.457 4.007 2.182 1.00 4.27 C ATOM 666 C GLU A 45 -10.718 4.600 3.575 1.00 4.16 C ATOM 667 O GLU A 45 -11.292 5.688 3.684 1.00 4.02 O ATOM 668 CB GLU A 45 -11.581 3.026 1.829 1.00 4.73 C ATOM 669 CG GLU A 45 -11.690 2.723 0.341 1.00 4.87 C ATOM 670 CD GLU A 45 -12.809 1.750 0.025 1.00 5.41 C ATOM 671 OE1 GLU A 45 -13.943 2.211 -0.222 1.00 5.67 O ATOM 672 OE2 GLU A 45 -12.551 0.528 0.024 1.00 5.89 O ATOM 0 H GLU A 45 -9.190 2.327 2.136 1.00 4.21 H new ATOM 0 HA GLU A 45 -10.440 4.841 1.480 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -11.419 2.093 2.369 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -12.530 3.435 2.177 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -11.857 3.652 -0.204 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -10.745 2.311 -0.012 1.00 4.87 H new ATOM 679 N ALA A 46 -10.298 3.888 4.629 1.00 4.29 N ATOM 680 CA ALA A 46 -10.525 4.333 6.013 1.00 4.30 C ATOM 681 C ALA A 46 -9.391 5.196 6.568 1.00 3.96 C ATOM 682 O ALA A 46 -9.643 6.131 7.334 1.00 3.93 O ATOM 683 CB ALA A 46 -10.736 3.132 6.920 1.00 4.70 C ATOM 0 H ALA A 46 -9.799 3.002 4.551 1.00 4.29 H new ATOM 0 HA ALA A 46 -11.419 4.957 5.990 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -10.903 3.473 7.942 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -11.604 2.567 6.579 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -9.853 2.494 6.890 1.00 4.70 H new ATOM 689 N GLU A 47 -8.147 4.881 6.181 1.00 3.76 N ATOM 690 CA GLU A 47 -6.960 5.602 6.666 1.00 3.47 C ATOM 691 C GLU A 47 -6.948 7.083 6.300 1.00 3.09 C ATOM 692 O GLU A 47 -6.296 7.874 6.981 1.00 2.91 O ATOM 693 CB GLU A 47 -5.680 4.910 6.184 1.00 3.43 C ATOM 694 CG GLU A 47 -5.389 3.594 6.893 1.00 3.78 C ATOM 695 CD GLU A 47 -4.075 2.975 6.458 1.00 3.77 C ATOM 696 OE1 GLU A 47 -4.109 1.944 5.754 1.00 3.72 O ATOM 697 OE2 GLU A 47 -3.013 3.521 6.822 1.00 4.19 O ATOM 0 H GLU A 47 -7.935 4.126 5.529 1.00 3.76 H new ATOM 0 HA GLU A 47 -7.004 5.566 7.755 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -5.759 4.725 5.113 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -4.836 5.585 6.329 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -5.368 3.763 7.970 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -6.200 2.892 6.696 1.00 3.78 H new ATOM 704 N LEU A 48 -7.667 7.464 5.238 1.00 3.03 N ATOM 705 CA LEU A 48 -7.764 8.879 4.841 1.00 2.71 C ATOM 706 C LEU A 48 -8.408 9.696 5.955 1.00 2.75 C ATOM 707 O LEU A 48 -8.189 10.894 6.067 1.00 2.53 O ATOM 708 CB LEU A 48 -8.612 9.074 3.588 1.00 2.77 C ATOM 709 CG LEU A 48 -8.346 8.127 2.429 1.00 2.90 C ATOM 710 CD1 LEU A 48 -9.637 7.806 1.691 1.00 3.19 C ATOM 711 CD2 LEU A 48 -7.348 8.769 1.500 1.00 2.63 C ATOM 0 H LEU A 48 -8.187 6.821 4.641 1.00 3.03 H new ATOM 0 HA LEU A 48 -6.745 9.211 4.641 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -9.661 8.981 3.869 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -8.466 10.094 3.234 1.00 2.77 H new ATOM 0 HG LEU A 48 -7.941 7.189 2.809 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -9.425 7.127 0.865 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -10.341 7.334 2.377 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -10.072 8.726 1.301 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -7.147 8.100 0.663 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -7.753 9.709 1.125 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -6.421 8.963 2.040 1.00 2.63 H new ATOM 723 N GLN A 49 -9.233 9.019 6.752 1.00 3.08 N ATOM 724 CA GLN A 49 -9.920 9.634 7.882 1.00 3.22 C ATOM 725 C GLN A 49 -8.998 9.778 9.097 1.00 3.25 C ATOM 726 O GLN A 49 -9.074 10.785 9.802 1.00 3.25 O ATOM 727 CB GLN A 49 -11.157 8.812 8.270 1.00 3.61 C ATOM 728 CG GLN A 49 -12.316 8.914 7.281 1.00 3.67 C ATOM 729 CD GLN A 49 -13.122 10.192 7.439 1.00 4.10 C ATOM 730 OE1 GLN A 49 -14.089 10.240 8.200 1.00 4.58 O ATOM 731 NE2 GLN A 49 -12.726 11.235 6.719 1.00 4.30 N ATOM 0 H GLN A 49 -9.443 8.028 6.631 1.00 3.08 H new ATOM 0 HA GLN A 49 -10.229 10.631 7.569 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -10.868 7.765 8.366 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -11.502 9.138 9.251 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -11.925 8.861 6.265 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -12.976 8.056 7.413 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -11.919 11.151 6.101 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -13.229 12.120 6.784 1.00 4.30 H new ATOM 740 N ASP A 50 -8.135 8.770 9.343 1.00 3.34 N ATOM 741 CA ASP A 50 -7.228 8.803 10.500 1.00 3.43 C ATOM 742 C ASP A 50 -5.879 9.491 10.224 1.00 3.13 C ATOM 743 O ASP A 50 -5.452 10.337 11.011 1.00 3.13 O ATOM 744 CB ASP A 50 -6.984 7.403 11.039 1.00 3.76 C ATOM 745 CG ASP A 50 -8.227 6.780 11.650 1.00 4.11 C ATOM 746 OD1 ASP A 50 -8.443 6.958 12.867 1.00 4.38 O ATOM 747 OD2 ASP A 50 -8.983 6.117 10.910 1.00 4.38 O ATOM 0 H ASP A 50 -8.050 7.936 8.762 1.00 3.34 H new ATOM 0 HA ASP A 50 -7.741 9.409 11.247 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -6.624 6.766 10.231 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -6.196 7.441 11.791 1.00 3.76 H new ATOM 752 N MET A 51 -5.190 9.111 9.129 1.00 2.93 N ATOM 753 CA MET A 51 -3.874 9.710 8.778 1.00 2.66 C ATOM 754 C MET A 51 -4.018 11.191 8.524 1.00 2.39 C ATOM 755 O MET A 51 -3.153 11.992 8.886 1.00 2.30 O ATOM 756 CB MET A 51 -3.249 9.029 7.552 1.00 2.59 C ATOM 757 CG MET A 51 -3.370 7.508 7.539 1.00 2.35 C ATOM 758 SD MET A 51 -2.804 6.756 5.992 1.00 2.18 S ATOM 759 CE MET A 51 -3.911 7.491 4.781 1.00 2.48 C ATOM 0 H MET A 51 -5.514 8.399 8.474 1.00 2.93 H new ATOM 0 HA MET A 51 -3.209 9.553 9.627 1.00 2.66 H new ATOM 0 HB2 MET A 51 -3.721 9.425 6.653 1.00 2.59 H new ATOM 0 HB3 MET A 51 -2.194 9.297 7.503 1.00 2.59 H new ATOM 0 HG2 MET A 51 -2.792 7.098 8.367 1.00 2.35 H new ATOM 0 HG3 MET A 51 -4.411 7.232 7.709 1.00 2.35 H new ATOM 0 HE1 MET A 51 -4.462 6.704 4.266 1.00 2.48 H new ATOM 0 HE2 MET A 51 -4.613 8.155 5.286 1.00 2.48 H new ATOM 0 HE3 MET A 51 -3.330 8.061 4.056 1.00 2.48 H new ATOM 769 N ILE A 52 -5.126 11.525 7.892 1.00 2.33 N ATOM 770 CA ILE A 52 -5.493 12.891 7.605 1.00 2.15 C ATOM 771 C ILE A 52 -5.927 13.580 8.890 1.00 2.40 C ATOM 772 O ILE A 52 -5.903 14.793 8.992 1.00 2.36 O ATOM 773 CB ILE A 52 -6.587 12.902 6.514 1.00 2.10 C ATOM 774 CG1 ILE A 52 -5.924 13.075 5.160 1.00 1.78 C ATOM 775 CG2 ILE A 52 -7.683 13.944 6.732 1.00 2.22 C ATOM 776 CD1 ILE A 52 -5.778 11.782 4.385 1.00 1.85 C ATOM 0 H ILE A 52 -5.805 10.841 7.559 1.00 2.33 H new ATOM 0 HA ILE A 52 -4.642 13.451 7.217 1.00 2.15 H new ATOM 0 HB ILE A 52 -7.106 11.945 6.567 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -6.507 13.780 4.567 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -4.938 13.517 5.302 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -8.409 13.883 5.921 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -8.183 13.753 7.682 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -7.240 14.940 6.749 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -5.296 11.984 3.428 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -5.170 11.082 4.957 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -6.763 11.349 4.211 1.00 1.85 H new ATOM 788 N ASN A 53 -6.302 12.767 9.869 1.00 2.72 N ATOM 789 CA ASN A 53 -6.711 13.250 11.175 1.00 3.03 C ATOM 790 C ASN A 53 -5.506 13.637 11.990 1.00 3.09 C ATOM 791 O ASN A 53 -5.596 14.228 13.063 1.00 3.36 O ATOM 792 CB ASN A 53 -7.530 12.172 11.887 1.00 3.37 C ATOM 793 CG ASN A 53 -8.241 12.663 13.140 1.00 3.66 C ATOM 794 OD1 ASN A 53 -9.380 13.128 13.080 1.00 3.89 O ATOM 795 ND2 ASN A 53 -7.568 12.562 14.280 1.00 3.98 N ATOM 0 H ASN A 53 -6.330 11.752 9.776 1.00 2.72 H new ATOM 0 HA ASN A 53 -7.333 14.137 11.053 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -8.271 11.775 11.193 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -6.870 11.347 12.155 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -7.993 12.876 15.153 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -6.626 12.170 14.283 1.00 3.98 H new ATOM 802 N GLU A 54 -4.407 13.212 11.469 1.00 2.90 N ATOM 803 CA GLU A 54 -3.098 13.516 12.025 1.00 2.96 C ATOM 804 C GLU A 54 -2.565 14.823 11.435 1.00 2.77 C ATOM 805 O GLU A 54 -1.644 15.432 11.987 1.00 2.93 O ATOM 806 CB GLU A 54 -2.115 12.373 11.739 1.00 2.91 C ATOM 807 CG GLU A 54 -2.427 11.087 12.496 1.00 3.22 C ATOM 808 CD GLU A 54 -1.475 9.960 12.147 1.00 3.25 C ATOM 809 OE1 GLU A 54 -1.774 9.202 11.200 1.00 3.56 O ATOM 810 OE2 GLU A 54 -0.431 9.835 12.820 1.00 3.40 O ATOM 0 H GLU A 54 -4.373 12.632 10.630 1.00 2.90 H new ATOM 0 HA GLU A 54 -3.199 13.629 13.104 1.00 2.96 H new ATOM 0 HB2 GLU A 54 -2.118 12.163 10.669 1.00 2.91 H new ATOM 0 HB3 GLU A 54 -1.108 12.700 11.997 1.00 2.91 H new ATOM 0 HG2 GLU A 54 -2.379 11.280 13.568 1.00 3.22 H new ATOM 0 HG3 GLU A 54 -3.448 10.777 12.273 1.00 3.22 H new ATOM 817 N VAL A 55 -3.160 15.238 10.309 1.00 2.49 N ATOM 818 CA VAL A 55 -2.751 16.461 9.618 1.00 2.36 C ATOM 819 C VAL A 55 -3.902 17.427 9.343 1.00 2.40 C ATOM 820 O VAL A 55 -3.673 18.638 9.231 1.00 2.49 O ATOM 821 CB VAL A 55 -1.975 16.115 8.304 1.00 1.99 C ATOM 822 CG1 VAL A 55 -1.898 17.289 7.325 1.00 2.37 C ATOM 823 CG2 VAL A 55 -0.572 15.618 8.631 1.00 2.07 C ATOM 0 H VAL A 55 -3.928 14.741 9.859 1.00 2.49 H new ATOM 0 HA VAL A 55 -2.083 16.989 10.299 1.00 2.36 H new ATOM 0 HB VAL A 55 -2.541 15.326 7.810 1.00 1.99 H new ATOM 0 HG11 VAL A 55 -1.348 16.985 6.435 1.00 2.37 H new ATOM 0 HG12 VAL A 55 -2.906 17.594 7.042 1.00 2.37 H new ATOM 0 HG13 VAL A 55 -1.386 18.126 7.800 1.00 2.37 H new ATOM 0 HG21 VAL A 55 -0.045 15.382 7.707 1.00 2.07 H new ATOM 0 HG22 VAL A 55 -0.028 16.393 9.171 1.00 2.07 H new ATOM 0 HG23 VAL A 55 -0.638 14.723 9.250 1.00 2.07 H new ATOM 833 N ALA A 56 -5.122 16.923 9.269 1.00 2.43 N ATOM 834 CA ALA A 56 -6.259 17.783 8.974 1.00 2.53 C ATOM 835 C ALA A 56 -7.027 18.044 10.257 1.00 2.90 C ATOM 836 O ALA A 56 -8.170 18.517 10.250 1.00 3.05 O ATOM 837 CB ALA A 56 -7.122 17.154 7.896 1.00 2.36 C ATOM 0 H ALA A 56 -5.351 15.939 9.406 1.00 2.43 H new ATOM 0 HA ALA A 56 -5.921 18.743 8.585 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -7.970 17.805 7.683 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -6.531 17.019 6.990 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -7.486 16.186 8.240 1.00 2.36 H new ATOM 843 N ALA A 57 -6.345 17.738 11.363 1.00 3.08 N ATOM 844 CA ALA A 57 -6.893 17.911 12.690 1.00 3.45 C ATOM 845 C ALA A 57 -6.501 19.240 13.296 1.00 3.67 C ATOM 846 O ALA A 57 -5.331 19.632 13.308 1.00 3.69 O ATOM 847 CB ALA A 57 -6.494 16.771 13.601 1.00 3.64 C ATOM 0 H ALA A 57 -5.396 17.363 11.353 1.00 3.08 H new ATOM 0 HA ALA A 57 -7.978 17.904 12.587 1.00 3.45 H new ATOM 0 HB1 ALA A 57 -6.921 16.930 14.591 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -6.865 15.831 13.192 1.00 3.64 H new ATOM 0 HB3 ALA A 57 -5.407 16.729 13.677 1.00 3.64 H new ATOM 886 N GLY A 61 -12.572 20.575 9.168 1.00 3.52 N ATOM 887 CA GLY A 61 -13.443 19.735 8.351 1.00 3.44 C ATOM 888 C GLY A 61 -12.804 19.275 7.046 1.00 3.11 C ATOM 889 O GLY A 61 -13.435 18.543 6.277 1.00 3.10 O ATOM 0 HA2 GLY A 61 -13.736 18.859 8.930 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -14.355 20.286 8.124 1.00 3.44 H new ATOM 893 N THR A 62 -11.555 19.700 6.795 1.00 2.91 N ATOM 894 CA THR A 62 -10.817 19.312 5.585 1.00 2.61 C ATOM 895 C THR A 62 -9.309 19.214 5.862 1.00 2.41 C ATOM 896 O THR A 62 -8.863 19.396 6.998 1.00 2.55 O ATOM 897 CB THR A 62 -11.070 20.268 4.390 1.00 2.62 C ATOM 898 OG1 THR A 62 -10.939 21.630 4.810 1.00 2.84 O ATOM 899 CG2 THR A 62 -12.449 20.042 3.781 1.00 2.75 C ATOM 0 H THR A 62 -11.034 20.316 7.419 1.00 2.91 H new ATOM 0 HA THR A 62 -11.197 18.330 5.304 1.00 2.61 H new ATOM 0 HB THR A 62 -10.323 20.053 3.626 1.00 2.62 H new ATOM 0 HG1 THR A 62 -10.549 22.160 4.084 1.00 2.84 H new ATOM 0 HG21 THR A 62 -12.595 20.728 2.946 1.00 2.75 H new ATOM 0 HG22 THR A 62 -12.525 19.015 3.425 1.00 2.75 H new ATOM 0 HG23 THR A 62 -13.214 20.222 4.536 1.00 2.75 H new ATOM 907 N ILE A 63 -8.543 18.953 4.798 1.00 2.14 N ATOM 908 CA ILE A 63 -7.101 18.767 4.852 1.00 1.93 C ATOM 909 C ILE A 63 -6.359 19.920 4.239 1.00 1.95 C ATOM 910 O ILE A 63 -6.705 20.365 3.164 1.00 1.99 O ATOM 911 CB ILE A 63 -6.598 17.614 3.971 1.00 1.63 C ATOM 912 CG1 ILE A 63 -7.720 16.901 3.190 1.00 1.70 C ATOM 913 CG2 ILE A 63 -5.688 16.608 4.686 1.00 1.51 C ATOM 914 CD1 ILE A 63 -8.607 15.996 4.019 1.00 1.95 C ATOM 0 H ILE A 63 -8.924 18.864 3.856 1.00 2.14 H new ATOM 0 HA ILE A 63 -6.924 18.616 5.917 1.00 1.93 H new ATOM 0 HB ILE A 63 -5.965 18.118 3.240 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -8.344 17.656 2.711 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -7.268 16.310 2.394 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -5.383 15.831 3.985 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -4.805 17.122 5.065 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -6.229 16.155 5.517 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -9.363 15.542 3.379 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -8.002 15.213 4.477 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -9.095 16.580 4.799 1.00 1.95 H new ATOM 926 N ASP A 64 -5.283 20.307 4.871 1.00 2.01 N ATOM 927 CA ASP A 64 -4.418 21.344 4.361 1.00 2.12 C ATOM 928 C ASP A 64 -3.223 20.681 3.662 1.00 1.86 C ATOM 929 O ASP A 64 -2.894 19.532 3.967 1.00 1.62 O ATOM 930 CB ASP A 64 -3.956 22.324 5.450 1.00 2.46 C ATOM 931 CG ASP A 64 -3.377 21.652 6.690 1.00 2.46 C ATOM 932 OD1 ASP A 64 -4.154 21.357 7.623 1.00 2.68 O ATOM 933 OD2 ASP A 64 -2.150 21.423 6.724 1.00 2.74 O ATOM 0 H ASP A 64 -4.978 19.911 5.760 1.00 2.01 H new ATOM 0 HA ASP A 64 -4.982 21.946 3.648 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -3.205 22.991 5.028 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -4.802 22.944 5.748 1.00 2.46 H new ATOM 938 N PHE A 65 -2.572 21.399 2.744 1.00 1.97 N ATOM 939 CA PHE A 65 -1.456 20.835 1.969 1.00 1.80 C ATOM 940 C PHE A 65 -0.119 20.692 2.762 1.00 1.83 C ATOM 941 O PHE A 65 0.498 19.626 2.693 1.00 1.60 O ATOM 942 CB PHE A 65 -1.213 21.676 0.702 1.00 2.04 C ATOM 943 CG PHE A 65 -0.359 20.994 -0.348 1.00 1.95 C ATOM 944 CD1 PHE A 65 -0.835 19.887 -1.021 1.00 2.40 C ATOM 945 CD2 PHE A 65 0.905 21.465 -0.661 1.00 2.11 C ATOM 946 CE1 PHE A 65 -0.091 19.249 -1.984 1.00 2.45 C ATOM 947 CE2 PHE A 65 1.668 20.835 -1.626 1.00 2.08 C ATOM 948 CZ PHE A 65 1.169 19.725 -2.288 1.00 1.96 C ATOM 0 H PHE A 65 -2.794 22.368 2.517 1.00 1.97 H new ATOM 0 HA PHE A 65 -1.765 19.822 1.713 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -2.176 21.931 0.260 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -0.736 22.613 0.989 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -1.820 19.512 -0.784 1.00 2.40 H new ATOM 0 HD2 PHE A 65 1.297 22.330 -0.148 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -0.487 18.385 -2.497 1.00 2.45 H new ATOM 0 HE2 PHE A 65 2.653 21.208 -1.864 1.00 2.08 H new ATOM 0 HZ PHE A 65 1.765 19.232 -3.042 1.00 1.96 H new ATOM 958 N PRO A 66 0.355 21.749 3.517 1.00 2.16 N ATOM 959 CA PRO A 66 1.650 21.745 4.258 1.00 2.30 C ATOM 960 C PRO A 66 2.079 20.422 4.938 1.00 2.09 C ATOM 961 O PRO A 66 3.160 19.910 4.637 1.00 2.04 O ATOM 962 CB PRO A 66 1.461 22.854 5.318 1.00 2.67 C ATOM 963 CG PRO A 66 0.077 23.391 5.127 1.00 2.78 C ATOM 964 CD PRO A 66 -0.309 23.051 3.720 1.00 2.48 C ATOM 0 HA PRO A 66 2.460 21.898 3.544 1.00 2.30 H new ATOM 0 HB2 PRO A 66 1.587 22.455 6.324 1.00 2.67 H new ATOM 0 HB3 PRO A 66 2.204 23.642 5.192 1.00 2.67 H new ATOM 0 HG2 PRO A 66 -0.616 22.945 5.840 1.00 2.78 H new ATOM 0 HG3 PRO A 66 0.051 24.469 5.289 1.00 2.78 H new ATOM 0 HD2 PRO A 66 -1.390 22.979 3.601 1.00 2.48 H new ATOM 0 HD3 PRO A 66 0.040 23.801 3.010 1.00 2.48 H new ATOM 972 N GLU A 67 1.263 19.885 5.856 1.00 2.04 N ATOM 973 CA GLU A 67 1.614 18.651 6.571 1.00 1.95 C ATOM 974 C GLU A 67 1.140 17.377 5.902 1.00 1.60 C ATOM 975 O GLU A 67 1.578 16.275 6.248 1.00 1.59 O ATOM 976 CB GLU A 67 1.178 18.711 8.038 1.00 2.24 C ATOM 977 CG GLU A 67 2.059 19.600 8.903 1.00 2.61 C ATOM 978 CD GLU A 67 1.603 19.642 10.349 1.00 3.15 C ATOM 979 OE1 GLU A 67 2.077 18.804 11.145 1.00 3.47 O ATOM 980 OE2 GLU A 67 0.773 20.512 10.685 1.00 3.66 O ATOM 0 H GLU A 67 0.361 20.283 6.119 1.00 2.04 H new ATOM 0 HA GLU A 67 2.702 18.601 6.533 1.00 1.95 H new ATOM 0 HB2 GLU A 67 0.151 19.074 8.088 1.00 2.24 H new ATOM 0 HB3 GLU A 67 1.180 17.702 8.450 1.00 2.24 H new ATOM 0 HG2 GLU A 67 3.087 19.239 8.860 1.00 2.61 H new ATOM 0 HG3 GLU A 67 2.059 20.611 8.496 1.00 2.61 H new ATOM 987 N PHE A 68 0.257 17.549 4.953 1.00 1.40 N ATOM 988 CA PHE A 68 -0.331 16.433 4.188 1.00 1.10 C ATOM 989 C PHE A 68 0.775 15.676 3.415 1.00 0.99 C ATOM 990 O PHE A 68 0.666 14.466 3.218 1.00 0.94 O ATOM 991 CB PHE A 68 -1.482 16.978 3.304 1.00 1.04 C ATOM 992 CG PHE A 68 -2.004 16.110 2.180 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.857 15.031 2.417 1.00 1.36 C ATOM 994 CD2 PHE A 68 -1.710 16.444 0.866 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.392 14.325 1.367 1.00 1.57 C ATOM 996 CE2 PHE A 68 -2.233 15.721 -0.187 1.00 1.57 C ATOM 997 CZ PHE A 68 -3.081 14.664 0.058 1.00 1.15 C ATOM 0 H PHE A 68 -0.090 18.466 4.672 1.00 1.40 H new ATOM 0 HA PHE A 68 -0.776 15.690 4.850 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -2.321 17.211 3.959 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -1.147 17.919 2.868 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -3.098 14.750 3.432 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -1.061 17.283 0.664 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -4.060 13.499 1.562 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -1.977 15.984 -1.203 1.00 1.57 H new ATOM 0 HZ PHE A 68 -3.501 14.103 -0.763 1.00 1.15 H new ATOM 1007 N LEU A 69 1.837 16.405 2.991 1.00 1.15 N ATOM 1008 CA LEU A 69 3.003 15.783 2.317 1.00 1.24 C ATOM 1009 C LEU A 69 3.972 15.213 3.345 1.00 1.42 C ATOM 1010 O LEU A 69 4.662 14.225 3.082 1.00 1.53 O ATOM 1011 CB LEU A 69 3.791 16.744 1.415 1.00 1.51 C ATOM 1012 CG LEU A 69 3.058 17.967 0.890 1.00 1.59 C ATOM 1013 CD1 LEU A 69 3.385 19.158 1.756 1.00 1.82 C ATOM 1014 CD2 LEU A 69 3.465 18.237 -0.540 1.00 1.76 C ATOM 0 H LEU A 69 1.910 17.416 3.103 1.00 1.15 H new ATOM 0 HA LEU A 69 2.580 15.001 1.686 1.00 1.24 H new ATOM 0 HB2 LEU A 69 4.665 17.087 1.969 1.00 1.51 H new ATOM 0 HB3 LEU A 69 4.159 16.178 0.559 1.00 1.51 H new ATOM 0 HG LEU A 69 1.984 17.786 0.920 1.00 1.59 H new ATOM 0 HD11 LEU A 69 2.860 20.036 1.380 1.00 1.82 H new ATOM 0 HD12 LEU A 69 3.073 18.959 2.781 1.00 1.82 H new ATOM 0 HD13 LEU A 69 4.459 19.341 1.733 1.00 1.82 H new ATOM 0 HD21 LEU A 69 2.935 19.115 -0.909 1.00 1.76 H new ATOM 0 HD22 LEU A 69 4.539 18.416 -0.585 1.00 1.76 H new ATOM 0 HD23 LEU A 69 3.214 17.375 -1.159 1.00 1.76 H new ATOM 1026 N THR A 70 4.030 15.864 4.517 1.00 1.58 N ATOM 1027 CA THR A 70 4.914 15.439 5.617 1.00 1.88 C ATOM 1028 C THR A 70 4.537 14.028 6.079 1.00 1.87 C ATOM 1029 O THR A 70 5.403 13.214 6.405 1.00 2.04 O ATOM 1030 CB THR A 70 4.845 16.414 6.820 1.00 2.19 C ATOM 1031 OG1 THR A 70 4.544 17.741 6.369 1.00 2.14 O ATOM 1032 CG2 THR A 70 6.164 16.438 7.587 1.00 2.80 C ATOM 0 H THR A 70 3.472 16.691 4.729 1.00 1.58 H new ATOM 0 HA THR A 70 5.936 15.443 5.237 1.00 1.88 H new ATOM 0 HB THR A 70 4.056 16.061 7.484 1.00 2.19 H new ATOM 0 HG1 THR A 70 4.658 18.372 7.110 1.00 2.14 H new ATOM 0 HG21 THR A 70 6.085 17.131 8.425 1.00 2.80 H new ATOM 0 HG22 THR A 70 6.385 15.439 7.962 1.00 2.80 H new ATOM 0 HG23 THR A 70 6.965 16.762 6.923 1.00 2.80 H new ATOM 1040 N MET A 71 3.225 13.769 6.086 1.00 1.77 N ATOM 1041 CA MET A 71 2.664 12.469 6.463 1.00 1.91 C ATOM 1042 C MET A 71 2.714 11.476 5.284 1.00 1.83 C ATOM 1043 O MET A 71 2.664 10.260 5.488 1.00 2.06 O ATOM 1044 CB MET A 71 1.225 12.640 6.998 1.00 2.01 C ATOM 1045 CG MET A 71 0.258 13.347 6.047 1.00 2.31 C ATOM 1046 SD MET A 71 -0.639 12.194 4.999 1.00 2.07 S ATOM 1047 CE MET A 71 -2.156 12.028 5.934 1.00 1.57 C ATOM 0 H MET A 71 2.520 14.459 5.829 1.00 1.77 H new ATOM 0 HA MET A 71 3.275 12.050 7.262 1.00 1.91 H new ATOM 0 HB2 MET A 71 0.823 11.655 7.234 1.00 2.01 H new ATOM 0 HB3 MET A 71 1.266 13.200 7.932 1.00 2.01 H new ATOM 0 HG2 MET A 71 -0.453 13.935 6.627 1.00 2.31 H new ATOM 0 HG3 MET A 71 0.814 14.046 5.421 1.00 2.31 H new ATOM 0 HE1 MET A 71 -2.899 11.504 5.332 1.00 1.57 H new ATOM 0 HE2 MET A 71 -1.962 11.462 6.845 1.00 1.57 H new ATOM 0 HE3 MET A 71 -2.533 13.017 6.195 1.00 1.57 H new ATOM 1057 N MET A 72 2.804 12.025 4.050 1.00 1.61 N ATOM 1058 CA MET A 72 2.864 11.234 2.801 1.00 1.69 C ATOM 1059 C MET A 72 3.956 10.150 2.837 1.00 1.97 C ATOM 1060 O MET A 72 3.749 9.045 2.327 1.00 2.17 O ATOM 1061 CB MET A 72 3.102 12.165 1.603 1.00 1.60 C ATOM 1062 CG MET A 72 1.837 12.803 1.048 1.00 1.46 C ATOM 1063 SD MET A 72 0.840 11.684 0.055 1.00 1.69 S ATOM 1064 CE MET A 72 -0.168 12.873 -0.832 1.00 1.53 C ATOM 0 H MET A 72 2.837 13.032 3.894 1.00 1.61 H new ATOM 0 HA MET A 72 1.905 10.726 2.699 1.00 1.69 H new ATOM 0 HB2 MET A 72 3.792 12.954 1.902 1.00 1.60 H new ATOM 0 HB3 MET A 72 3.589 11.599 0.809 1.00 1.60 H new ATOM 0 HG2 MET A 72 1.234 13.174 1.877 1.00 1.46 H new ATOM 0 HG3 MET A 72 2.112 13.666 0.442 1.00 1.46 H new ATOM 0 HE1 MET A 72 -1.214 12.572 -0.782 1.00 1.53 H new ATOM 0 HE2 MET A 72 -0.051 13.858 -0.380 1.00 1.53 H new ATOM 0 HE3 MET A 72 0.148 12.913 -1.874 1.00 1.53 H new ATOM 1207 N SER A 81 4.592 -2.634 3.131 1.00 3.49 N ATOM 1208 CA SER A 81 4.427 -4.087 3.224 1.00 3.36 C ATOM 1209 C SER A 81 5.195 -4.840 2.133 1.00 2.88 C ATOM 1210 O SER A 81 5.463 -6.038 2.267 1.00 2.79 O ATOM 1211 CB SER A 81 2.943 -4.452 3.154 1.00 3.71 C ATOM 1212 OG SER A 81 2.229 -3.902 4.248 1.00 4.35 O ATOM 0 HA SER A 81 4.843 -4.393 4.184 1.00 3.36 H new ATOM 0 HB2 SER A 81 2.519 -4.086 2.219 1.00 3.71 H new ATOM 0 HB3 SER A 81 2.832 -5.536 3.152 1.00 3.71 H new ATOM 0 HG SER A 81 2.817 -3.303 4.755 1.00 4.35 H new ATOM 1218 N GLU A 82 5.541 -4.122 1.061 1.00 2.97 N ATOM 1219 CA GLU A 82 6.273 -4.691 -0.088 1.00 3.25 C ATOM 1220 C GLU A 82 7.729 -4.984 0.250 1.00 3.85 C ATOM 1221 O GLU A 82 8.358 -5.858 -0.351 1.00 4.27 O ATOM 1222 CB GLU A 82 6.213 -3.735 -1.281 1.00 3.94 C ATOM 1223 CG GLU A 82 4.809 -3.491 -1.820 1.00 4.12 C ATOM 1224 CD GLU A 82 4.780 -2.440 -2.913 1.00 4.93 C ATOM 1225 OE1 GLU A 82 4.361 -1.299 -2.627 1.00 5.51 O ATOM 1226 OE2 GLU A 82 5.179 -2.757 -4.053 1.00 5.25 O ATOM 0 H GLU A 82 5.325 -3.130 0.959 1.00 2.97 H new ATOM 0 HA GLU A 82 5.788 -5.634 -0.342 1.00 3.25 H new ATOM 0 HB2 GLU A 82 6.648 -2.779 -0.988 1.00 3.94 H new ATOM 0 HB3 GLU A 82 6.833 -4.135 -2.083 1.00 3.94 H new ATOM 0 HG2 GLU A 82 4.405 -4.426 -2.209 1.00 4.12 H new ATOM 0 HG3 GLU A 82 4.159 -3.178 -1.003 1.00 4.12 H new ATOM 1233 N GLU A 83 8.252 -4.222 1.197 1.00 4.18 N ATOM 1234 CA GLU A 83 9.626 -4.388 1.680 1.00 5.12 C ATOM 1235 C GLU A 83 9.701 -5.545 2.684 1.00 5.33 C ATOM 1236 O GLU A 83 10.769 -6.123 2.902 1.00 6.21 O ATOM 1237 CB GLU A 83 10.131 -3.096 2.332 1.00 5.53 C ATOM 1238 CG GLU A 83 10.438 -1.984 1.339 1.00 5.74 C ATOM 1239 CD GLU A 83 10.936 -0.721 2.014 1.00 6.48 C ATOM 1240 OE1 GLU A 83 10.097 0.138 2.358 1.00 6.88 O ATOM 1241 OE2 GLU A 83 12.164 -0.591 2.198 1.00 6.89 O ATOM 0 H GLU A 83 7.741 -3.469 1.657 1.00 4.18 H new ATOM 0 HA GLU A 83 10.262 -4.618 0.825 1.00 5.12 H new ATOM 0 HB2 GLU A 83 9.382 -2.741 3.040 1.00 5.53 H new ATOM 0 HB3 GLU A 83 11.032 -3.317 2.905 1.00 5.53 H new ATOM 0 HG2 GLU A 83 11.188 -2.332 0.629 1.00 5.74 H new ATOM 0 HG3 GLU A 83 9.539 -1.755 0.766 1.00 5.74 H new ATOM 1248 N GLU A 84 8.543 -5.867 3.281 1.00 4.72 N ATOM 1249 CA GLU A 84 8.425 -6.937 4.276 1.00 5.16 C ATOM 1250 C GLU A 84 8.251 -8.328 3.645 1.00 4.87 C ATOM 1251 O GLU A 84 8.659 -9.324 4.249 1.00 5.53 O ATOM 1252 CB GLU A 84 7.250 -6.653 5.224 1.00 5.11 C ATOM 1253 CG GLU A 84 7.482 -5.486 6.181 1.00 5.77 C ATOM 1254 CD GLU A 84 8.355 -5.855 7.369 1.00 6.38 C ATOM 1255 OE1 GLU A 84 9.595 -5.853 7.218 1.00 6.86 O ATOM 1256 OE2 GLU A 84 7.797 -6.142 8.449 1.00 6.68 O ATOM 0 H GLU A 84 7.663 -5.390 3.085 1.00 4.72 H new ATOM 0 HA GLU A 84 9.363 -6.949 4.831 1.00 5.16 H new ATOM 0 HB2 GLU A 84 6.360 -6.448 4.629 1.00 5.11 H new ATOM 0 HB3 GLU A 84 7.044 -7.550 5.807 1.00 5.11 H new ATOM 0 HG2 GLU A 84 7.948 -4.664 5.637 1.00 5.77 H new ATOM 0 HG3 GLU A 84 6.520 -5.124 6.543 1.00 5.77 H new ATOM 1263 N ILE A 85 7.648 -8.406 2.435 1.00 3.98 N ATOM 1264 CA ILE A 85 7.424 -9.703 1.762 1.00 3.69 C ATOM 1265 C ILE A 85 8.710 -10.413 1.408 1.00 4.63 C ATOM 1266 O ILE A 85 8.950 -11.528 1.875 1.00 5.03 O ATOM 1267 CB ILE A 85 6.490 -9.609 0.522 1.00 2.77 C ATOM 1268 CG1 ILE A 85 6.824 -8.399 -0.365 1.00 3.16 C ATOM 1269 CG2 ILE A 85 5.042 -9.546 0.974 1.00 1.99 C ATOM 1270 CD1 ILE A 85 7.365 -8.767 -1.730 1.00 3.97 C ATOM 0 H ILE A 85 7.313 -7.597 1.913 1.00 3.98 H new ATOM 0 HA ILE A 85 6.905 -10.307 2.506 1.00 3.69 H new ATOM 0 HB ILE A 85 6.648 -10.503 -0.081 1.00 2.77 H new ATOM 0 HG12 ILE A 85 5.925 -7.796 -0.492 1.00 3.16 H new ATOM 0 HG13 ILE A 85 7.556 -7.776 0.149 1.00 3.16 H new ATOM 0 HG21 ILE A 85 4.391 -9.480 0.102 1.00 1.99 H new ATOM 0 HG22 ILE A 85 4.799 -10.444 1.542 1.00 1.99 H new ATOM 0 HG23 ILE A 85 4.895 -8.668 1.603 1.00 1.99 H new ATOM 0 HD11 ILE A 85 7.576 -7.859 -2.295 1.00 3.97 H new ATOM 0 HD12 ILE A 85 8.283 -9.344 -1.614 1.00 3.97 H new ATOM 0 HD13 ILE A 85 6.626 -9.364 -2.265 1.00 3.97 H new ATOM 1282 N ARG A 86 9.546 -9.757 0.622 1.00 5.19 N ATOM 1283 CA ARG A 86 10.847 -10.316 0.234 1.00 6.32 C ATOM 1284 C ARG A 86 11.658 -10.683 1.460 1.00 7.11 C ATOM 1285 O ARG A 86 12.574 -11.509 1.395 1.00 7.98 O ATOM 1286 CB ARG A 86 11.668 -9.303 -0.530 1.00 6.99 C ATOM 1287 CG ARG A 86 11.922 -9.688 -1.978 1.00 7.36 C ATOM 1288 CD ARG A 86 12.617 -8.571 -2.740 1.00 8.25 C ATOM 1289 NE ARG A 86 12.839 -8.919 -4.147 1.00 8.76 N ATOM 1290 CZ ARG A 86 13.241 -8.058 -5.093 1.00 9.65 C ATOM 1291 NH1 ARG A 86 13.474 -6.778 -4.806 1.00 10.08 N ATOM 1292 NH2 ARG A 86 13.410 -8.484 -6.338 1.00 10.26 N ATOM 0 H ARG A 86 9.354 -8.833 0.234 1.00 5.19 H new ATOM 0 HA ARG A 86 10.639 -11.192 -0.381 1.00 6.32 H new ATOM 0 HB2 ARG A 86 11.157 -8.341 -0.504 1.00 6.99 H new ATOM 0 HB3 ARG A 86 12.625 -9.170 -0.026 1.00 6.99 H new ATOM 0 HG2 ARG A 86 12.534 -10.589 -2.014 1.00 7.36 H new ATOM 0 HG3 ARG A 86 10.975 -9.926 -2.463 1.00 7.36 H new ATOM 0 HD2 ARG A 86 12.015 -7.664 -2.682 1.00 8.25 H new ATOM 0 HD3 ARG A 86 13.573 -8.350 -2.266 1.00 8.25 H new ATOM 0 HE ARG A 86 12.676 -9.886 -4.426 1.00 8.76 H new ATOM 0 HH11 ARG A 86 13.347 -6.438 -3.853 1.00 10.08 H new ATOM 0 HH12 ARG A 86 13.779 -6.138 -5.539 1.00 10.08 H new ATOM 0 HH21 ARG A 86 13.234 -9.461 -6.571 1.00 10.26 H new ATOM 0 HH22 ARG A 86 13.716 -7.834 -7.062 1.00 10.26 H new ATOM 1306 N GLU A 87 11.295 -10.051 2.579 1.00 6.95 N ATOM 1307 CA GLU A 87 12.006 -10.257 3.823 1.00 7.91 C ATOM 1308 C GLU A 87 11.472 -11.473 4.582 1.00 7.97 C ATOM 1309 O GLU A 87 12.206 -12.140 5.316 1.00 8.94 O ATOM 1310 CB GLU A 87 11.943 -9.011 4.710 1.00 8.02 C ATOM 1311 CG GLU A 87 12.875 -7.893 4.265 1.00 8.75 C ATOM 1312 CD GLU A 87 12.934 -6.752 5.262 1.00 9.11 C ATOM 1313 OE1 GLU A 87 12.090 -5.837 5.169 1.00 9.62 O ATOM 1314 OE2 GLU A 87 13.825 -6.775 6.137 1.00 9.05 O ATOM 0 H GLU A 87 10.515 -9.397 2.639 1.00 6.95 H new ATOM 0 HA GLU A 87 13.048 -10.448 3.567 1.00 7.91 H new ATOM 0 HB2 GLU A 87 10.920 -8.636 4.721 1.00 8.02 H new ATOM 0 HB3 GLU A 87 12.191 -9.292 5.734 1.00 8.02 H new ATOM 0 HG2 GLU A 87 13.877 -8.296 4.120 1.00 8.75 H new ATOM 0 HG3 GLU A 87 12.543 -7.511 3.300 1.00 8.75 H new ATOM 1321 N ALA A 88 10.179 -11.735 4.378 1.00 7.00 N ATOM 1322 CA ALA A 88 9.468 -12.838 5.028 1.00 7.06 C ATOM 1323 C ALA A 88 9.579 -14.144 4.242 1.00 7.01 C ATOM 1324 O ALA A 88 9.776 -15.211 4.813 1.00 7.73 O ATOM 1325 CB ALA A 88 8.012 -12.477 5.201 1.00 6.21 C ATOM 0 H ALA A 88 9.592 -11.183 3.752 1.00 7.00 H new ATOM 0 HA ALA A 88 9.936 -12.997 6.000 1.00 7.06 H new ATOM 0 HB1 ALA A 88 7.488 -13.301 5.685 1.00 6.21 H new ATOM 0 HB2 ALA A 88 7.930 -11.582 5.818 1.00 6.21 H new ATOM 0 HB3 ALA A 88 7.566 -12.287 4.225 1.00 6.21 H new ATOM 1331 N PHE A 89 9.379 -14.054 2.931 1.00 6.21 N ATOM 1332 CA PHE A 89 9.491 -15.200 2.020 1.00 6.21 C ATOM 1333 C PHE A 89 10.834 -15.938 2.120 1.00 7.49 C ATOM 1334 O PHE A 89 10.948 -17.082 1.674 1.00 7.70 O ATOM 1335 CB PHE A 89 9.193 -14.726 0.602 1.00 5.56 C ATOM 1336 CG PHE A 89 7.730 -14.508 0.433 1.00 4.24 C ATOM 1337 CD1 PHE A 89 6.947 -15.513 -0.080 1.00 3.84 C ATOM 1338 CD2 PHE A 89 7.124 -13.334 0.867 1.00 3.79 C ATOM 1339 CE1 PHE A 89 5.601 -15.365 -0.168 1.00 2.77 C ATOM 1340 CE2 PHE A 89 5.775 -13.173 0.766 1.00 2.72 C ATOM 1341 CZ PHE A 89 5.009 -14.196 0.247 1.00 1.93 C ATOM 0 H PHE A 89 9.133 -13.182 2.463 1.00 6.21 H new ATOM 0 HA PHE A 89 8.755 -15.946 2.319 1.00 6.21 H new ATOM 0 HB2 PHE A 89 9.732 -13.801 0.398 1.00 5.56 H new ATOM 0 HB3 PHE A 89 9.544 -15.465 -0.118 1.00 5.56 H new ATOM 0 HD1 PHE A 89 7.407 -16.430 -0.417 1.00 3.84 H new ATOM 0 HD2 PHE A 89 7.728 -12.543 1.288 1.00 3.79 H new ATOM 0 HE1 PHE A 89 4.995 -16.166 -0.564 1.00 2.77 H new ATOM 0 HE2 PHE A 89 5.310 -12.253 1.089 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.939 -14.078 0.166 1.00 1.93 H new ATOM 1351 N ARG A 90 11.840 -15.276 2.703 1.00 8.36 N ATOM 1352 CA ARG A 90 13.155 -15.881 2.908 1.00 9.63 C ATOM 1353 C ARG A 90 13.153 -16.762 4.176 1.00 10.20 C ATOM 1354 O ARG A 90 14.119 -17.489 4.431 1.00 11.20 O ATOM 1355 CB ARG A 90 14.227 -14.788 3.019 1.00 10.38 C ATOM 1356 CG ARG A 90 15.606 -15.224 2.537 1.00 10.73 C ATOM 1357 CD ARG A 90 16.637 -14.124 2.730 1.00 11.51 C ATOM 1358 NE ARG A 90 17.969 -14.534 2.270 1.00 12.01 N ATOM 1359 CZ ARG A 90 19.116 -13.927 2.612 1.00 12.77 C ATOM 1360 NH1 ARG A 90 19.122 -12.871 3.423 1.00 13.10 N ATOM 1361 NH2 ARG A 90 20.265 -14.385 2.135 1.00 13.29 N ATOM 0 H ARG A 90 11.765 -14.317 3.042 1.00 8.36 H new ATOM 0 HA ARG A 90 13.385 -16.513 2.050 1.00 9.63 H new ATOM 0 HB2 ARG A 90 13.908 -13.920 2.441 1.00 10.38 H new ATOM 0 HB3 ARG A 90 14.300 -14.469 4.059 1.00 10.38 H new ATOM 0 HG2 ARG A 90 15.918 -16.116 3.081 1.00 10.73 H new ATOM 0 HG3 ARG A 90 15.555 -15.495 1.483 1.00 10.73 H new ATOM 0 HD2 ARG A 90 16.323 -13.233 2.186 1.00 11.51 H new ATOM 0 HD3 ARG A 90 16.685 -13.853 3.785 1.00 11.51 H new ATOM 0 HE ARG A 90 18.027 -15.338 1.645 1.00 12.01 H new ATOM 0 HH11 ARG A 90 18.244 -12.510 3.796 1.00 13.10 H new ATOM 0 HH12 ARG A 90 20.004 -12.424 3.671 1.00 13.10 H new ATOM 0 HH21 ARG A 90 20.273 -15.193 1.513 1.00 13.29 H new ATOM 0 HH22 ARG A 90 21.141 -13.929 2.390 1.00 13.29 H new ATOM 1375 N VAL A 91 12.056 -16.688 4.958 1.00 9.66 N ATOM 1376 CA VAL A 91 11.903 -17.452 6.176 1.00 10.29 C ATOM 1377 C VAL A 91 11.078 -18.715 5.950 1.00 9.81 C ATOM 1378 O VAL A 91 11.395 -19.779 6.490 1.00 10.52 O ATOM 1379 CB VAL A 91 11.198 -16.655 7.293 1.00 10.33 C ATOM 1380 CG1 VAL A 91 11.815 -16.947 8.656 1.00 11.64 C ATOM 1381 CG2 VAL A 91 11.158 -15.158 7.032 1.00 9.85 C ATOM 0 H VAL A 91 11.258 -16.089 4.746 1.00 9.66 H new ATOM 0 HA VAL A 91 12.920 -17.699 6.480 1.00 10.29 H new ATOM 0 HB VAL A 91 10.163 -16.998 7.295 1.00 10.33 H new ATOM 0 HG11 VAL A 91 11.296 -16.370 9.421 1.00 11.64 H new ATOM 0 HG12 VAL A 91 11.722 -18.010 8.877 1.00 11.64 H new ATOM 0 HG13 VAL A 91 12.869 -16.670 8.645 1.00 11.64 H new ATOM 0 HG21 VAL A 91 10.649 -14.658 7.856 1.00 9.85 H new ATOM 0 HG22 VAL A 91 12.175 -14.776 6.949 1.00 9.85 H new ATOM 0 HG23 VAL A 91 10.621 -14.965 6.103 1.00 9.85 H new ATOM 1391 N PHE A 92 10.023 -18.575 5.149 1.00 8.63 N ATOM 1392 CA PHE A 92 9.089 -19.679 4.889 1.00 8.08 C ATOM 1393 C PHE A 92 9.226 -20.288 3.501 1.00 7.58 C ATOM 1394 O PHE A 92 8.978 -21.485 3.323 1.00 7.57 O ATOM 1395 CB PHE A 92 7.648 -19.166 4.976 1.00 7.14 C ATOM 1396 CG PHE A 92 7.340 -18.257 6.134 1.00 7.60 C ATOM 1397 CD1 PHE A 92 7.609 -16.893 6.069 1.00 7.95 C ATOM 1398 CD2 PHE A 92 6.729 -18.762 7.265 1.00 7.88 C ATOM 1399 CE1 PHE A 92 7.277 -16.063 7.111 1.00 8.45 C ATOM 1400 CE2 PHE A 92 6.401 -17.936 8.315 1.00 8.39 C ATOM 1401 CZ PHE A 92 6.674 -16.583 8.241 1.00 8.62 C ATOM 0 H PHE A 92 9.790 -17.707 4.666 1.00 8.63 H new ATOM 0 HA PHE A 92 9.326 -20.436 5.637 1.00 8.08 H new ATOM 0 HB2 PHE A 92 7.416 -18.636 4.052 1.00 7.14 H new ATOM 0 HB3 PHE A 92 6.980 -20.026 5.027 1.00 7.14 H new ATOM 0 HD1 PHE A 92 8.084 -16.483 5.190 1.00 7.95 H new ATOM 0 HD2 PHE A 92 6.506 -19.817 7.326 1.00 7.88 H new ATOM 0 HE1 PHE A 92 7.487 -15.005 7.048 1.00 8.45 H new ATOM 0 HE2 PHE A 92 5.930 -18.345 9.197 1.00 8.39 H new ATOM 0 HZ PHE A 92 6.417 -15.933 9.064 1.00 8.62 H new ATOM 1411 N ALA A 93 9.618 -19.474 2.531 1.00 7.32 N ATOM 1412 CA ALA A 93 9.748 -19.933 1.161 1.00 7.11 C ATOM 1413 C ALA A 93 11.214 -20.191 0.784 1.00 8.33 C ATOM 1414 O ALA A 93 11.866 -19.351 0.149 1.00 8.83 O ATOM 1415 CB ALA A 93 9.064 -18.940 0.229 1.00 6.22 C ATOM 0 H ALA A 93 9.851 -18.491 2.671 1.00 7.32 H new ATOM 0 HA ALA A 93 9.247 -20.895 1.056 1.00 7.11 H new ATOM 0 HB1 ALA A 93 9.160 -19.282 -0.801 1.00 6.22 H new ATOM 0 HB2 ALA A 93 8.008 -18.865 0.489 1.00 6.22 H new ATOM 0 HB3 ALA A 93 9.534 -17.962 0.332 1.00 6.22 H new ATOM 1421 N LYS A 94 11.731 -21.363 1.202 1.00 8.92 N ATOM 1422 CA LYS A 94 13.124 -21.779 0.930 1.00 10.13 C ATOM 1423 C LYS A 94 13.413 -23.212 1.427 1.00 10.64 C ATOM 1424 O LYS A 94 14.567 -23.657 1.426 1.00 11.32 O ATOM 1425 CB LYS A 94 14.178 -20.767 1.495 1.00 10.90 C ATOM 1426 CG LYS A 94 13.909 -20.238 2.910 1.00 11.36 C ATOM 1427 CD LYS A 94 13.763 -21.379 3.897 1.00 11.16 C ATOM 1428 CE LYS A 94 12.307 -21.637 4.220 1.00 10.61 C ATOM 1429 NZ LYS A 94 12.135 -22.736 5.210 1.00 11.01 N ATOM 0 H LYS A 94 11.197 -22.048 1.737 1.00 8.92 H new ATOM 0 HA LYS A 94 13.227 -21.778 -0.155 1.00 10.13 H new ATOM 0 HB2 LYS A 94 15.156 -21.249 1.488 1.00 10.90 H new ATOM 0 HB3 LYS A 94 14.237 -19.917 0.815 1.00 10.90 H new ATOM 0 HG2 LYS A 94 14.726 -19.586 3.220 1.00 11.36 H new ATOM 0 HG3 LYS A 94 13.002 -19.634 2.910 1.00 11.36 H new ATOM 0 HD2 LYS A 94 14.212 -22.282 3.483 1.00 11.16 H new ATOM 0 HD3 LYS A 94 14.306 -21.144 4.813 1.00 11.16 H new ATOM 0 HE2 LYS A 94 11.856 -20.725 4.611 1.00 10.61 H new ATOM 0 HE3 LYS A 94 11.773 -21.889 3.304 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 11.131 -23.003 5.261 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 12.698 -23.560 4.916 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 12.456 -22.414 6.145 1.00 11.01 H new ATOM 1443 N ASP A 95 12.354 -23.931 1.828 1.00 10.41 N ATOM 1444 CA ASP A 95 12.474 -25.294 2.344 1.00 10.95 C ATOM 1445 C ASP A 95 12.459 -26.354 1.232 1.00 11.36 C ATOM 1446 O ASP A 95 12.190 -27.537 1.480 1.00 11.72 O ATOM 1447 CB ASP A 95 11.376 -25.559 3.387 1.00 10.75 C ATOM 1448 CG ASP A 95 11.767 -26.623 4.399 1.00 10.79 C ATOM 1449 OD1 ASP A 95 11.486 -27.813 4.147 1.00 11.08 O ATOM 1450 OD2 ASP A 95 12.355 -26.264 5.441 1.00 10.72 O ATOM 0 H ASP A 95 11.396 -23.582 1.802 1.00 10.41 H new ATOM 0 HA ASP A 95 13.448 -25.378 2.825 1.00 10.95 H new ATOM 0 HB2 ASP A 95 11.149 -24.631 3.912 1.00 10.75 H new ATOM 0 HB3 ASP A 95 10.464 -25.868 2.877 1.00 10.75 H new ATOM 1455 N GLY A 96 12.776 -25.915 0.023 1.00 11.41 N ATOM 1456 CA GLY A 96 12.792 -26.807 -1.129 1.00 11.89 C ATOM 1457 C GLY A 96 13.661 -26.320 -2.257 1.00 11.67 C ATOM 1458 O GLY A 96 14.838 -25.998 -2.076 1.00 11.82 O ATOM 0 H GLY A 96 13.025 -24.948 -0.187 1.00 11.41 H new ATOM 0 HA2 GLY A 96 13.140 -27.790 -0.812 1.00 11.89 H new ATOM 0 HA3 GLY A 96 11.773 -26.932 -1.495 1.00 11.89 H new ATOM 1462 N ASN A 97 13.036 -26.279 -3.424 1.00 11.48 N ATOM 1463 CA ASN A 97 13.652 -25.869 -4.672 1.00 11.39 C ATOM 1464 C ASN A 97 13.764 -24.351 -4.801 1.00 11.24 C ATOM 1465 O ASN A 97 14.640 -23.833 -5.501 1.00 11.69 O ATOM 1466 CB ASN A 97 12.784 -26.419 -5.788 1.00 10.47 C ATOM 1467 CG ASN A 97 13.575 -26.804 -7.025 1.00 10.82 C ATOM 1468 OD1 ASN A 97 14.030 -27.941 -7.155 1.00 11.12 O ATOM 1469 ND2 ASN A 97 13.742 -25.856 -7.940 1.00 10.95 N ATOM 0 H ASN A 97 12.055 -26.539 -3.529 1.00 11.48 H new ATOM 0 HA ASN A 97 14.671 -26.254 -4.716 1.00 11.39 H new ATOM 0 HB2 ASN A 97 12.244 -27.293 -5.423 1.00 10.47 H new ATOM 0 HB3 ASN A 97 12.037 -25.673 -6.060 1.00 10.47 H new ATOM 0 HD21 ASN A 97 14.265 -26.056 -8.792 1.00 10.95 H new ATOM 0 HD22 ASN A 97 13.347 -24.928 -7.790 1.00 10.95 H new ATOM 1476 N GLY A 98 12.863 -23.670 -4.114 1.00 10.71 N ATOM 1477 CA GLY A 98 12.803 -22.216 -4.139 1.00 10.57 C ATOM 1478 C GLY A 98 11.588 -21.731 -4.903 1.00 9.35 C ATOM 1479 O GLY A 98 11.618 -20.669 -5.532 1.00 9.23 O ATOM 0 H GLY A 98 12.154 -24.106 -3.525 1.00 10.71 H new ATOM 0 HA2 GLY A 98 12.771 -21.833 -3.119 1.00 10.57 H new ATOM 0 HA3 GLY A 98 13.708 -21.820 -4.600 1.00 10.57 H new ATOM 1483 N TYR A 99 10.514 -22.531 -4.836 1.00 8.53 N ATOM 1484 CA TYR A 99 9.253 -22.248 -5.506 1.00 7.35 C ATOM 1485 C TYR A 99 8.434 -21.208 -4.759 1.00 6.60 C ATOM 1486 O TYR A 99 7.977 -20.253 -5.364 1.00 6.68 O ATOM 1487 CB TYR A 99 8.417 -23.539 -5.618 1.00 7.03 C ATOM 1488 CG TYR A 99 7.976 -23.917 -7.021 1.00 7.42 C ATOM 1489 CD1 TYR A 99 8.877 -24.504 -7.904 1.00 7.29 C ATOM 1490 CD2 TYR A 99 6.656 -23.713 -7.461 1.00 8.16 C ATOM 1491 CE1 TYR A 99 8.491 -24.874 -9.178 1.00 7.85 C ATOM 1492 CE2 TYR A 99 6.274 -24.083 -8.736 1.00 8.71 C ATOM 1493 CZ TYR A 99 7.192 -24.662 -9.588 1.00 8.53 C ATOM 1494 OH TYR A 99 6.807 -25.031 -10.856 1.00 9.21 O ATOM 0 H TYR A 99 10.505 -23.402 -4.306 1.00 8.53 H new ATOM 0 HA TYR A 99 9.494 -21.857 -6.495 1.00 7.35 H new ATOM 0 HB2 TYR A 99 8.998 -24.363 -5.205 1.00 7.03 H new ATOM 0 HB3 TYR A 99 7.529 -23.431 -4.995 1.00 7.03 H new ATOM 0 HD1 TYR A 99 9.896 -24.673 -7.588 1.00 7.29 H new ATOM 0 HD2 TYR A 99 5.934 -23.263 -6.796 1.00 8.16 H new ATOM 0 HE1 TYR A 99 9.204 -25.328 -9.850 1.00 7.85 H new ATOM 0 HE2 TYR A 99 5.259 -23.919 -9.065 1.00 8.71 H new ATOM 0 HH TYR A 99 5.860 -24.814 -10.986 1.00 9.21 H new ATOM 1504 N ILE A 100 8.309 -21.378 -3.426 1.00 6.19 N ATOM 1505 CA ILE A 100 7.473 -20.521 -2.552 1.00 5.73 C ATOM 1506 C ILE A 100 6.139 -21.281 -2.380 1.00 4.64 C ATOM 1507 O ILE A 100 5.144 -21.008 -3.061 1.00 4.17 O ATOM 1508 CB ILE A 100 7.266 -19.038 -3.106 1.00 5.84 C ATOM 1509 CG1 ILE A 100 8.506 -18.125 -2.918 1.00 5.96 C ATOM 1510 CG2 ILE A 100 6.078 -18.345 -2.450 1.00 5.70 C ATOM 1511 CD1 ILE A 100 9.833 -18.656 -3.443 1.00 6.65 C ATOM 0 H ILE A 100 8.790 -22.121 -2.919 1.00 6.19 H new ATOM 0 HA ILE A 100 7.970 -20.357 -1.596 1.00 5.73 H new ATOM 0 HB ILE A 100 7.089 -19.174 -4.173 1.00 5.84 H new ATOM 0 HG12 ILE A 100 8.304 -17.172 -3.407 1.00 5.96 H new ATOM 0 HG13 ILE A 100 8.619 -17.920 -1.853 1.00 5.96 H new ATOM 0 HG21 ILE A 100 5.974 -17.339 -2.856 1.00 5.70 H new ATOM 0 HG22 ILE A 100 5.169 -18.913 -2.650 1.00 5.70 H new ATOM 0 HG23 ILE A 100 6.240 -18.287 -1.374 1.00 5.70 H new ATOM 0 HD11 ILE A 100 10.619 -17.926 -3.251 1.00 6.65 H new ATOM 0 HD12 ILE A 100 10.076 -19.591 -2.939 1.00 6.65 H new ATOM 0 HD13 ILE A 100 9.756 -18.832 -4.516 1.00 6.65 H new ATOM 1523 N SER A 101 6.158 -22.267 -1.466 1.00 4.56 N ATOM 1524 CA SER A 101 5.013 -23.151 -1.209 1.00 3.87 C ATOM 1525 C SER A 101 3.725 -22.440 -0.816 1.00 3.18 C ATOM 1526 O SER A 101 3.726 -21.350 -0.237 1.00 3.33 O ATOM 1527 CB SER A 101 5.366 -24.213 -0.168 1.00 4.59 C ATOM 1528 OG SER A 101 5.707 -23.629 1.078 1.00 5.48 O ATOM 0 H SER A 101 6.971 -22.472 -0.885 1.00 4.56 H new ATOM 0 HA SER A 101 4.806 -23.621 -2.170 1.00 3.87 H new ATOM 0 HB2 SER A 101 4.521 -24.888 -0.035 1.00 4.59 H new ATOM 0 HB3 SER A 101 6.200 -24.814 -0.529 1.00 4.59 H new ATOM 0 HG SER A 101 5.926 -24.335 1.721 1.00 5.48 H new ATOM 1534 N ALA A 102 2.633 -23.120 -1.164 1.00 2.74 N ATOM 1535 CA ALA A 102 1.256 -22.670 -0.923 1.00 2.63 C ATOM 1536 C ALA A 102 0.889 -22.502 0.562 1.00 3.39 C ATOM 1537 O ALA A 102 0.387 -21.447 0.961 1.00 3.61 O ATOM 1538 CB ALA A 102 0.305 -23.664 -1.563 1.00 3.06 C ATOM 0 H ALA A 102 2.679 -24.024 -1.634 1.00 2.74 H new ATOM 0 HA ALA A 102 1.172 -21.677 -1.365 1.00 2.63 H new ATOM 0 HB1 ALA A 102 -0.723 -23.345 -1.393 1.00 3.06 H new ATOM 0 HB2 ALA A 102 0.498 -23.714 -2.635 1.00 3.06 H new ATOM 0 HB3 ALA A 102 0.457 -24.649 -1.121 1.00 3.06 H new ATOM 1544 N ALA A 103 1.144 -23.546 1.366 1.00 4.09 N ATOM 1545 CA ALA A 103 0.801 -23.554 2.799 1.00 5.20 C ATOM 1546 C ALA A 103 1.554 -22.509 3.630 1.00 5.47 C ATOM 1547 O ALA A 103 1.112 -22.166 4.730 1.00 6.33 O ATOM 1548 CB ALA A 103 1.034 -24.942 3.378 1.00 5.96 C ATOM 0 H ALA A 103 1.591 -24.405 1.045 1.00 4.09 H new ATOM 0 HA ALA A 103 -0.253 -23.284 2.859 1.00 5.20 H new ATOM 0 HB1 ALA A 103 0.779 -24.942 4.438 1.00 5.96 H new ATOM 0 HB2 ALA A 103 0.408 -25.665 2.854 1.00 5.96 H new ATOM 0 HB3 ALA A 103 2.082 -25.215 3.257 1.00 5.96 H new ATOM 1554 N GLU A 104 2.682 -22.006 3.110 1.00 4.91 N ATOM 1555 CA GLU A 104 3.478 -21.005 3.832 1.00 5.33 C ATOM 1556 C GLU A 104 2.941 -19.588 3.636 1.00 4.76 C ATOM 1557 O GLU A 104 2.922 -18.816 4.586 1.00 5.38 O ATOM 1558 CB GLU A 104 4.952 -21.053 3.416 1.00 5.44 C ATOM 1559 CG GLU A 104 5.697 -22.303 3.882 1.00 6.31 C ATOM 1560 CD GLU A 104 6.091 -22.253 5.349 1.00 6.92 C ATOM 1561 OE1 GLU A 104 7.301 -22.139 5.636 1.00 7.26 O ATOM 1562 OE2 GLU A 104 5.188 -22.327 6.209 1.00 7.37 O ATOM 0 H GLU A 104 3.061 -22.273 2.201 1.00 4.91 H new ATOM 0 HA GLU A 104 3.397 -21.259 4.889 1.00 5.33 H new ATOM 0 HB2 GLU A 104 5.013 -20.992 2.329 1.00 5.44 H new ATOM 0 HB3 GLU A 104 5.458 -20.173 3.813 1.00 5.44 H new ATOM 0 HG2 GLU A 104 5.069 -23.177 3.711 1.00 6.31 H new ATOM 0 HG3 GLU A 104 6.594 -22.431 3.276 1.00 6.31 H new ATOM 1569 N LEU A 105 2.526 -19.253 2.397 1.00 3.64 N ATOM 1570 CA LEU A 105 1.981 -17.924 2.039 1.00 3.09 C ATOM 1571 C LEU A 105 1.063 -17.316 3.064 1.00 4.03 C ATOM 1572 O LEU A 105 1.282 -16.180 3.493 1.00 4.13 O ATOM 1573 CB LEU A 105 1.221 -17.993 0.712 1.00 2.35 C ATOM 1574 CG LEU A 105 2.000 -18.569 -0.489 1.00 1.65 C ATOM 1575 CD1 LEU A 105 1.105 -18.750 -1.690 1.00 2.00 C ATOM 1576 CD2 LEU A 105 3.171 -17.679 -0.842 1.00 1.38 C ATOM 0 H LEU A 105 2.559 -19.901 1.610 1.00 3.64 H new ATOM 0 HA LEU A 105 2.860 -17.283 1.972 1.00 3.09 H new ATOM 0 HB2 LEU A 105 0.325 -18.596 0.861 1.00 2.35 H new ATOM 0 HB3 LEU A 105 0.889 -16.987 0.455 1.00 2.35 H new ATOM 0 HG LEU A 105 2.377 -19.549 -0.197 1.00 1.65 H new ATOM 0 HD11 LEU A 105 1.685 -19.157 -2.518 1.00 2.00 H new ATOM 0 HD12 LEU A 105 0.296 -19.437 -1.441 1.00 2.00 H new ATOM 0 HD13 LEU A 105 0.686 -17.786 -1.980 1.00 2.00 H new ATOM 0 HD21 LEU A 105 3.707 -18.103 -1.691 1.00 1.38 H new ATOM 0 HD22 LEU A 105 2.807 -16.685 -1.102 1.00 1.38 H new ATOM 0 HD23 LEU A 105 3.844 -17.607 0.013 1.00 1.38 H new ATOM 1588 N ARG A 106 0.022 -18.049 3.426 1.00 4.83 N ATOM 1589 CA ARG A 106 -0.931 -17.575 4.411 1.00 5.95 C ATOM 1590 C ARG A 106 -0.222 -17.271 5.714 1.00 6.65 C ATOM 1591 O ARG A 106 -0.608 -16.372 6.446 1.00 7.39 O ATOM 1592 CB ARG A 106 -2.058 -18.598 4.696 1.00 6.81 C ATOM 1593 CG ARG A 106 -2.367 -19.665 3.623 1.00 6.46 C ATOM 1594 CD ARG A 106 -3.369 -19.194 2.602 1.00 5.99 C ATOM 1595 NE ARG A 106 -4.164 -20.302 2.062 1.00 6.40 N ATOM 1596 CZ ARG A 106 -5.426 -20.584 2.418 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -6.068 -19.847 3.323 1.00 7.08 N ATOM 1598 NH2 ARG A 106 -6.049 -21.614 1.862 1.00 7.37 N ATOM 0 H ARG A 106 -0.183 -18.975 3.051 1.00 4.83 H new ATOM 0 HA ARG A 106 -1.385 -16.676 3.994 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -1.808 -19.119 5.620 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -2.975 -18.039 4.883 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -1.443 -19.943 3.117 1.00 6.46 H new ATOM 0 HG3 ARG A 106 -2.746 -20.564 4.110 1.00 6.46 H new ATOM 0 HD2 ARG A 106 -4.033 -18.459 3.058 1.00 5.99 H new ATOM 0 HD3 ARG A 106 -2.848 -18.691 1.788 1.00 5.99 H new ATOM 0 HE ARG A 106 -3.725 -20.902 1.364 1.00 6.40 H new ATOM 0 HH11 ARG A 106 -5.600 -19.052 3.758 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -7.028 -20.077 3.581 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -5.568 -22.187 1.168 1.00 7.37 H new ATOM 0 HH22 ARG A 106 -7.009 -21.834 2.128 1.00 7.37 H new ATOM 1612 N HIS A 107 0.807 -18.052 5.980 1.00 6.60 N ATOM 1613 CA HIS A 107 1.638 -17.872 7.146 1.00 7.43 C ATOM 1614 C HIS A 107 2.678 -16.776 6.893 1.00 6.90 C ATOM 1615 O HIS A 107 3.239 -16.242 7.845 1.00 7.61 O ATOM 1616 CB HIS A 107 2.330 -19.183 7.535 1.00 8.00 C ATOM 1617 CG HIS A 107 1.398 -20.217 8.091 1.00 8.87 C ATOM 1618 ND1 HIS A 107 0.537 -21.059 7.472 1.00 9.79 N flip ATOM 1619 CD2 HIS A 107 1.280 -20.476 9.441 1.00 9.07 C flip ATOM 1620 CE1 HIS A 107 -0.076 -21.803 8.449 1.00 10.41 C flip ATOM 1621 NE2 HIS A 107 0.389 -21.434 9.628 1.00 10.03 N flip ATOM 0 H HIS A 107 1.088 -18.833 5.387 1.00 6.60 H new ATOM 0 HA HIS A 107 0.999 -17.567 7.975 1.00 7.43 H new ATOM 0 HB2 HIS A 107 2.831 -19.593 6.658 1.00 8.00 H new ATOM 0 HB3 HIS A 107 3.103 -18.970 8.273 1.00 8.00 H new ATOM 0 HD1 HIS A 107 0.374 -21.128 6.467 1.00 9.79 H new ATOM 0 HD2 HIS A 107 1.830 -19.974 10.223 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -0.820 -22.568 8.280 1.00 10.41 H new ATOM 1630 N VAL A 108 2.946 -16.448 5.602 1.00 5.69 N ATOM 1631 CA VAL A 108 3.913 -15.410 5.270 1.00 5.20 C ATOM 1632 C VAL A 108 3.285 -14.032 5.268 1.00 4.84 C ATOM 1633 O VAL A 108 3.668 -13.179 6.069 1.00 5.36 O ATOM 1634 CB VAL A 108 4.602 -15.671 3.894 1.00 4.27 C ATOM 1635 CG1 VAL A 108 5.633 -14.600 3.585 1.00 4.16 C ATOM 1636 CG2 VAL A 108 5.226 -17.052 3.817 1.00 4.80 C ATOM 0 H VAL A 108 2.504 -16.890 4.796 1.00 5.69 H new ATOM 0 HA VAL A 108 4.672 -15.446 6.051 1.00 5.20 H new ATOM 0 HB VAL A 108 3.819 -15.626 3.137 1.00 4.27 H new ATOM 0 HG11 VAL A 108 6.096 -14.808 2.621 1.00 4.16 H new ATOM 0 HG12 VAL A 108 5.146 -13.625 3.551 1.00 4.16 H new ATOM 0 HG13 VAL A 108 6.398 -14.596 4.362 1.00 4.16 H new ATOM 0 HG21 VAL A 108 5.693 -17.186 2.841 1.00 4.80 H new ATOM 0 HG22 VAL A 108 5.980 -17.155 4.597 1.00 4.80 H new ATOM 0 HG23 VAL A 108 4.454 -17.808 3.957 1.00 4.80 H new ATOM 1646 N MET A 109 2.346 -13.817 4.353 1.00 4.11 N ATOM 1647 CA MET A 109 1.630 -12.546 4.269 1.00 4.08 C ATOM 1648 C MET A 109 0.999 -12.186 5.605 1.00 5.33 C ATOM 1649 O MET A 109 0.828 -11.008 5.912 1.00 5.53 O ATOM 1650 CB MET A 109 0.606 -12.572 3.155 1.00 3.81 C ATOM 1651 CG MET A 109 1.207 -12.097 1.836 1.00 2.70 C ATOM 1652 SD MET A 109 -0.025 -11.794 0.568 1.00 3.27 S ATOM 1653 CE MET A 109 -0.382 -13.471 0.089 1.00 3.46 C ATOM 0 H MET A 109 2.062 -14.507 3.657 1.00 4.11 H new ATOM 0 HA MET A 109 2.352 -11.765 4.029 1.00 4.08 H new ATOM 0 HB2 MET A 109 0.220 -13.585 3.037 1.00 3.81 H new ATOM 0 HB3 MET A 109 -0.239 -11.937 3.421 1.00 3.81 H new ATOM 0 HG2 MET A 109 1.773 -11.182 2.010 1.00 2.70 H new ATOM 0 HG3 MET A 109 1.914 -12.845 1.476 1.00 2.70 H new ATOM 0 HE1 MET A 109 -1.448 -13.572 -0.115 1.00 3.46 H new ATOM 0 HE2 MET A 109 0.185 -13.722 -0.808 1.00 3.46 H new ATOM 0 HE3 MET A 109 -0.102 -14.148 0.896 1.00 3.46 H new ATOM 1663 N THR A 110 0.614 -13.211 6.381 1.00 6.20 N ATOM 1664 CA THR A 110 0.122 -12.973 7.737 1.00 7.45 C ATOM 1665 C THR A 110 1.293 -12.626 8.697 1.00 7.80 C ATOM 1666 O THR A 110 1.136 -11.755 9.557 1.00 8.54 O ATOM 1667 CB THR A 110 -0.661 -14.191 8.281 1.00 8.32 C ATOM 1668 OG1 THR A 110 -1.749 -14.487 7.397 1.00 8.16 O ATOM 1669 CG2 THR A 110 -1.225 -13.947 9.682 1.00 9.65 C ATOM 0 H THR A 110 0.634 -14.190 6.097 1.00 6.20 H new ATOM 0 HA THR A 110 -0.560 -12.124 7.688 1.00 7.45 H new ATOM 0 HB THR A 110 0.039 -15.024 8.341 1.00 8.32 H new ATOM 0 HG1 THR A 110 -1.672 -15.412 7.081 1.00 8.16 H new ATOM 0 HG21 THR A 110 -1.765 -14.833 10.016 1.00 9.65 H new ATOM 0 HG22 THR A 110 -0.407 -13.739 10.372 1.00 9.65 H new ATOM 0 HG23 THR A 110 -1.905 -13.095 9.657 1.00 9.65 H new ATOM 1677 N ASN A 111 2.460 -13.305 8.549 1.00 7.42 N ATOM 1678 CA ASN A 111 3.610 -13.057 9.447 1.00 8.00 C ATOM 1679 C ASN A 111 4.570 -11.933 8.993 1.00 7.57 C ATOM 1680 O ASN A 111 5.539 -11.643 9.706 1.00 8.26 O ATOM 1681 CB ASN A 111 4.397 -14.348 9.666 1.00 7.98 C ATOM 1682 CG ASN A 111 3.772 -15.233 10.727 1.00 9.16 C ATOM 1683 OD1 ASN A 111 4.198 -15.052 11.972 1.00 9.84 O flip ATOM 1684 ND2 ASN A 111 2.917 -16.068 10.434 1.00 9.58 N flip ATOM 0 H ASN A 111 2.625 -14.012 7.833 1.00 7.42 H new ATOM 0 HA ASN A 111 3.168 -12.705 10.379 1.00 8.00 H new ATOM 0 HB2 ASN A 111 4.456 -14.898 8.727 1.00 7.98 H new ATOM 0 HB3 ASN A 111 5.418 -14.103 9.957 1.00 7.98 H new ATOM 0 HD21 ASN A 111 2.619 -16.174 9.464 1.00 9.58 H new ATOM 0 HD22 ASN A 111 2.507 -16.654 11.161 1.00 9.58 H new ATOM 1691 N LEU A 112 4.316 -11.295 7.832 1.00 6.48 N ATOM 1692 CA LEU A 112 5.211 -10.240 7.293 1.00 6.02 C ATOM 1693 C LEU A 112 5.506 -9.093 8.294 1.00 6.50 C ATOM 1694 O LEU A 112 6.576 -8.479 8.229 1.00 6.87 O ATOM 1695 CB LEU A 112 4.666 -9.691 5.946 1.00 4.81 C ATOM 1696 CG LEU A 112 3.714 -8.480 5.999 1.00 4.44 C ATOM 1697 CD1 LEU A 112 3.337 -8.037 4.594 1.00 4.55 C ATOM 1698 CD2 LEU A 112 2.473 -8.814 6.798 1.00 4.77 C ATOM 0 H LEU A 112 3.502 -11.488 7.248 1.00 6.48 H new ATOM 0 HA LEU A 112 6.172 -10.722 7.115 1.00 6.02 H new ATOM 0 HB2 LEU A 112 5.519 -9.420 5.324 1.00 4.81 H new ATOM 0 HB3 LEU A 112 4.147 -10.504 5.438 1.00 4.81 H new ATOM 0 HG LEU A 112 4.232 -7.658 6.494 1.00 4.44 H new ATOM 0 HD11 LEU A 112 2.664 -7.181 4.651 1.00 4.55 H new ATOM 0 HD12 LEU A 112 4.237 -7.756 4.047 1.00 4.55 H new ATOM 0 HD13 LEU A 112 2.839 -8.856 4.076 1.00 4.55 H new ATOM 0 HD21 LEU A 112 1.813 -7.947 6.824 1.00 4.77 H new ATOM 0 HD22 LEU A 112 1.954 -9.651 6.331 1.00 4.77 H new ATOM 0 HD23 LEU A 112 2.757 -9.085 7.815 1.00 4.77 H new ATOM 1710 N GLY A 113 4.560 -8.821 9.205 1.00 6.67 N ATOM 1711 CA GLY A 113 4.739 -7.760 10.195 1.00 7.40 C ATOM 1712 C GLY A 113 3.466 -6.986 10.452 1.00 8.34 C ATOM 1713 O GLY A 113 2.902 -7.047 11.548 1.00 8.64 O ATOM 0 H GLY A 113 3.672 -9.319 9.273 1.00 6.67 H new ATOM 0 HA2 GLY A 113 5.090 -8.196 11.130 1.00 7.40 H new ATOM 0 HA3 GLY A 113 5.514 -7.075 9.852 1.00 7.40 H new ATOM 1717 N GLU A 114 3.020 -6.252 9.425 1.00 8.94 N ATOM 1718 CA GLU A 114 1.777 -5.456 9.471 1.00 10.00 C ATOM 1719 C GLU A 114 0.560 -6.371 9.459 1.00 10.47 C ATOM 1720 O GLU A 114 -0.580 -5.945 9.658 1.00 11.33 O ATOM 1721 CB GLU A 114 1.719 -4.560 8.250 1.00 10.43 C ATOM 1722 CG GLU A 114 2.680 -3.379 8.293 1.00 10.39 C ATOM 1723 CD GLU A 114 2.616 -2.530 7.040 1.00 11.02 C ATOM 1724 OE1 GLU A 114 3.550 -2.617 6.215 1.00 11.20 O ATOM 1725 OE2 GLU A 114 1.631 -1.779 6.881 1.00 11.47 O ATOM 0 H GLU A 114 3.510 -6.190 8.533 1.00 8.94 H new ATOM 0 HA GLU A 114 1.772 -4.862 10.385 1.00 10.00 H new ATOM 0 HB2 GLU A 114 1.936 -5.158 7.365 1.00 10.43 H new ATOM 0 HB3 GLU A 114 0.703 -4.182 8.139 1.00 10.43 H new ATOM 0 HG2 GLU A 114 2.450 -2.759 9.160 1.00 10.39 H new ATOM 0 HG3 GLU A 114 3.697 -3.748 8.426 1.00 10.39 H new ATOM 1732 N LYS A 115 0.879 -7.635 9.197 1.00 10.04 N ATOM 1733 CA LYS A 115 -0.029 -8.792 9.107 1.00 10.61 C ATOM 1734 C LYS A 115 -1.182 -8.596 8.134 1.00 10.14 C ATOM 1735 O LYS A 115 -1.741 -7.501 8.017 1.00 10.70 O ATOM 1736 CB LYS A 115 -0.606 -9.241 10.454 1.00 11.03 C ATOM 1737 CG LYS A 115 -1.623 -8.260 11.001 1.00 10.36 C ATOM 1738 CD LYS A 115 -1.355 -7.917 12.461 1.00 10.71 C ATOM 1739 CE LYS A 115 -0.014 -7.203 12.618 1.00 10.61 C ATOM 1740 NZ LYS A 115 -0.175 -5.726 12.714 1.00 10.83 N ATOM 0 H LYS A 115 1.848 -7.905 9.028 1.00 10.04 H new ATOM 0 HA LYS A 115 0.626 -9.577 8.727 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -1.074 -10.219 10.338 1.00 11.03 H new ATOM 0 HB3 LYS A 115 0.205 -9.359 11.173 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -1.604 -7.348 10.405 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -2.623 -8.683 10.905 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -2.155 -7.283 12.842 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -1.358 -8.828 13.059 1.00 10.71 H new ATOM 0 HE2 LYS A 115 0.490 -7.571 13.511 1.00 10.61 H new ATOM 0 HE3 LYS A 115 0.626 -7.443 11.769 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 0.688 -5.308 13.117 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -0.340 -5.332 11.766 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -0.985 -5.504 13.327 1.00 10.83 H new ATOM 1754 N LEU A 116 -1.525 -9.671 7.447 1.00 9.19 N ATOM 1755 CA LEU A 116 -2.653 -9.665 6.539 1.00 8.69 C ATOM 1756 C LEU A 116 -3.421 -10.980 6.714 1.00 9.07 C ATOM 1757 O LEU A 116 -2.956 -11.859 7.451 1.00 9.05 O ATOM 1758 CB LEU A 116 -2.198 -9.457 5.080 1.00 7.40 C ATOM 1759 CG LEU A 116 -1.377 -8.184 4.826 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -0.249 -8.459 3.843 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -2.270 -7.062 4.317 1.00 6.43 C ATOM 0 H LEU A 116 -1.034 -10.563 7.503 1.00 9.19 H new ATOM 0 HA LEU A 116 -3.312 -8.829 6.774 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -1.605 -10.319 4.775 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -3.081 -9.434 4.441 1.00 7.40 H new ATOM 0 HG LEU A 116 -0.936 -7.868 5.772 1.00 6.84 H new ATOM 0 HD11 LEU A 116 0.320 -7.544 3.677 1.00 6.44 H new ATOM 0 HD12 LEU A 116 0.409 -9.227 4.250 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -0.667 -8.803 2.897 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -1.669 -6.169 4.143 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -2.743 -7.368 3.384 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -3.038 -6.844 5.059 1.00 6.43 H new ATOM 1773 N THR A 117 -4.580 -11.141 6.056 1.00 9.56 N ATOM 1774 CA THR A 117 -5.343 -12.361 6.220 1.00 10.01 C ATOM 1775 C THR A 117 -5.089 -13.398 5.162 1.00 9.24 C ATOM 1776 O THR A 117 -4.256 -13.252 4.263 1.00 8.29 O ATOM 1777 CB THR A 117 -6.863 -12.146 6.266 1.00 11.26 C ATOM 1778 OG1 THR A 117 -7.277 -11.231 5.243 1.00 11.46 O ATOM 1779 CG2 THR A 117 -7.269 -11.640 7.621 1.00 12.18 C ATOM 0 H THR A 117 -4.991 -10.454 5.424 1.00 9.56 H new ATOM 0 HA THR A 117 -4.983 -12.719 7.184 1.00 10.01 H new ATOM 0 HB THR A 117 -7.356 -13.101 6.085 1.00 11.26 H new ATOM 0 HG1 THR A 117 -8.248 -11.108 5.287 1.00 11.46 H new ATOM 0 HG21 THR A 117 -8.348 -11.490 7.645 1.00 12.18 H new ATOM 0 HG22 THR A 117 -6.987 -12.369 8.381 1.00 12.18 H new ATOM 0 HG23 THR A 117 -6.767 -10.694 7.821 1.00 12.18 H new ATOM 1787 N ASP A 118 -5.862 -14.452 5.334 1.00 9.74 N ATOM 1788 CA ASP A 118 -5.887 -15.613 4.489 1.00 9.28 C ATOM 1789 C ASP A 118 -6.704 -15.382 3.242 1.00 9.42 C ATOM 1790 O ASP A 118 -6.429 -15.970 2.199 1.00 8.80 O ATOM 1791 CB ASP A 118 -6.494 -16.724 5.310 1.00 10.08 C ATOM 1792 CG ASP A 118 -5.463 -17.499 6.107 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -4.996 -18.546 5.613 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -5.123 -17.059 7.225 1.00 9.76 O ATOM 0 H ASP A 118 -6.521 -14.518 6.110 1.00 9.74 H new ATOM 0 HA ASP A 118 -4.878 -15.858 4.156 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -7.232 -16.303 5.993 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -7.025 -17.409 4.649 1.00 10.08 H new ATOM 1799 N GLU A 119 -7.712 -14.522 3.364 1.00 10.37 N ATOM 1800 CA GLU A 119 -8.565 -14.175 2.239 1.00 10.83 C ATOM 1801 C GLU A 119 -7.782 -13.352 1.236 1.00 10.04 C ATOM 1802 O GLU A 119 -8.156 -13.258 0.065 1.00 10.27 O ATOM 1803 CB GLU A 119 -9.836 -13.446 2.686 1.00 12.10 C ATOM 1804 CG GLU A 119 -10.841 -14.340 3.397 1.00 13.08 C ATOM 1805 CD GLU A 119 -12.086 -13.590 3.829 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -12.100 -13.067 4.963 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -13.046 -13.525 3.033 1.00 14.78 O ATOM 0 H GLU A 119 -7.956 -14.053 4.236 1.00 10.37 H new ATOM 0 HA GLU A 119 -8.889 -15.099 1.761 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -9.559 -12.627 3.350 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -10.314 -13.001 1.813 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -11.126 -15.158 2.735 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -10.369 -14.787 4.272 1.00 13.08 H new ATOM 1814 N GLU A 120 -6.689 -12.752 1.725 1.00 9.24 N ATOM 1815 CA GLU A 120 -5.772 -12.018 0.873 1.00 8.40 C ATOM 1816 C GLU A 120 -5.037 -13.050 0.038 1.00 7.57 C ATOM 1817 O GLU A 120 -4.861 -12.880 -1.162 1.00 7.44 O ATOM 1818 CB GLU A 120 -4.747 -11.201 1.678 1.00 7.71 C ATOM 1819 CG GLU A 120 -4.139 -10.046 0.887 1.00 7.14 C ATOM 1820 CD GLU A 120 -3.588 -8.946 1.769 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -4.382 -8.306 2.491 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -2.363 -8.716 1.728 1.00 8.58 O ATOM 0 H GLU A 120 -6.426 -12.766 2.710 1.00 9.24 H new ATOM 0 HA GLU A 120 -6.334 -11.308 0.266 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -5.230 -10.806 2.572 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -3.948 -11.863 2.013 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -3.340 -10.429 0.253 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -4.898 -9.627 0.226 1.00 7.14 H new ATOM 1829 N VAL A 121 -4.665 -14.164 0.690 1.00 7.19 N ATOM 1830 CA VAL A 121 -3.960 -15.222 0.037 1.00 6.42 C ATOM 1831 C VAL A 121 -4.889 -16.063 -0.843 1.00 7.15 C ATOM 1832 O VAL A 121 -4.561 -16.342 -1.993 1.00 6.95 O ATOM 1833 CB VAL A 121 -3.235 -16.088 1.083 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -2.222 -16.940 0.399 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -2.561 -15.232 2.155 1.00 5.72 C ATOM 0 H VAL A 121 -4.854 -14.333 1.678 1.00 7.19 H new ATOM 0 HA VAL A 121 -3.216 -14.783 -0.627 1.00 6.42 H new ATOM 0 HB VAL A 121 -3.975 -16.715 1.581 1.00 5.97 H new ATOM 0 HG11 VAL A 121 -1.706 -17.555 1.136 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -2.719 -17.584 -0.327 1.00 5.00 H new ATOM 0 HG13 VAL A 121 -1.499 -16.305 -0.114 1.00 5.00 H new ATOM 0 HG21 VAL A 121 -2.060 -15.879 2.875 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -1.829 -14.574 1.688 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -3.313 -14.632 2.668 1.00 5.72 H new ATOM 1845 N ASP A 122 -6.054 -16.421 -0.302 1.00 8.17 N ATOM 1846 CA ASP A 122 -7.065 -17.223 -1.033 1.00 9.00 C ATOM 1847 C ASP A 122 -7.545 -16.499 -2.292 1.00 9.58 C ATOM 1848 O ASP A 122 -8.006 -17.131 -3.245 1.00 10.07 O ATOM 1849 CB ASP A 122 -8.264 -17.555 -0.141 1.00 10.08 C ATOM 1850 CG ASP A 122 -7.923 -18.544 0.957 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -7.683 -19.727 0.635 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -7.902 -18.139 2.138 1.00 9.98 O ATOM 0 H ASP A 122 -6.332 -16.171 0.647 1.00 8.17 H new ATOM 0 HA ASP A 122 -6.580 -18.154 -1.328 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -8.642 -16.637 0.308 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -9.066 -17.964 -0.755 1.00 10.08 H new ATOM 1857 N GLU A 123 -7.420 -15.167 -2.271 1.00 9.61 N ATOM 1858 CA GLU A 123 -7.798 -14.308 -3.399 1.00 10.24 C ATOM 1859 C GLU A 123 -6.763 -14.441 -4.526 1.00 9.65 C ATOM 1860 O GLU A 123 -7.120 -14.479 -5.707 1.00 10.36 O ATOM 1861 CB GLU A 123 -7.905 -12.843 -2.940 1.00 10.45 C ATOM 1862 CG GLU A 123 -8.902 -12.000 -3.735 1.00 11.70 C ATOM 1863 CD GLU A 123 -8.359 -11.543 -5.078 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -7.741 -10.459 -5.132 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -8.551 -12.271 -6.075 1.00 12.16 O ATOM 0 H GLU A 123 -7.053 -14.653 -1.470 1.00 9.61 H new ATOM 0 HA GLU A 123 -8.771 -14.624 -3.775 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -8.191 -12.825 -1.888 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -6.920 -12.381 -3.010 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -9.811 -12.579 -3.896 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -9.180 -11.126 -3.146 1.00 11.70 H new ATOM 1872 N MET A 124 -5.478 -14.505 -4.135 1.00 8.45 N ATOM 1873 CA MET A 124 -4.371 -14.663 -5.080 1.00 7.91 C ATOM 1874 C MET A 124 -4.111 -16.125 -5.408 1.00 7.70 C ATOM 1875 O MET A 124 -3.482 -16.435 -6.424 1.00 7.76 O ATOM 1876 CB MET A 124 -3.094 -14.029 -4.526 1.00 6.78 C ATOM 1877 CG MET A 124 -2.854 -12.606 -5.010 1.00 6.98 C ATOM 1878 SD MET A 124 -2.267 -11.511 -3.704 1.00 6.62 S ATOM 1879 CE MET A 124 -3.802 -11.173 -2.853 1.00 7.40 C ATOM 0 H MET A 124 -5.184 -14.449 -3.160 1.00 8.45 H new ATOM 0 HA MET A 124 -4.661 -14.154 -5.999 1.00 7.91 H new ATOM 0 HB2 MET A 124 -3.142 -14.029 -3.437 1.00 6.78 H new ATOM 0 HB3 MET A 124 -2.241 -14.647 -4.807 1.00 6.78 H new ATOM 0 HG2 MET A 124 -2.125 -12.621 -5.820 1.00 6.98 H new ATOM 0 HG3 MET A 124 -3.780 -12.207 -5.423 1.00 6.98 H new ATOM 0 HE1 MET A 124 -3.631 -11.185 -1.776 1.00 7.40 H new ATOM 0 HE2 MET A 124 -4.175 -10.193 -3.151 1.00 7.40 H new ATOM 0 HE3 MET A 124 -4.537 -11.935 -3.112 1.00 7.40 H new ATOM 1889 N ILE A 125 -4.600 -17.019 -4.543 1.00 7.60 N ATOM 1890 CA ILE A 125 -4.437 -18.453 -4.732 1.00 7.41 C ATOM 1891 C ILE A 125 -5.160 -18.944 -5.986 1.00 8.49 C ATOM 1892 O ILE A 125 -4.626 -19.760 -6.741 1.00 8.45 O ATOM 1893 CB ILE A 125 -4.870 -19.253 -3.494 1.00 7.24 C ATOM 1894 CG1 ILE A 125 -3.813 -19.122 -2.396 1.00 6.16 C ATOM 1895 CG2 ILE A 125 -5.020 -20.688 -3.883 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -4.307 -19.416 -1.009 1.00 6.48 C ATOM 0 H ILE A 125 -5.115 -16.766 -3.700 1.00 7.60 H new ATOM 0 HA ILE A 125 -3.371 -18.629 -4.874 1.00 7.41 H new ATOM 0 HB ILE A 125 -5.817 -18.869 -3.116 1.00 7.24 H new ATOM 0 HG12 ILE A 125 -2.988 -19.797 -2.623 1.00 6.16 H new ATOM 0 HG13 ILE A 125 -3.412 -18.109 -2.417 1.00 6.16 H new ATOM 0 HG21 ILE A 125 -5.327 -21.270 -3.014 1.00 7.27 H new ATOM 0 HG22 ILE A 125 -5.775 -20.776 -4.664 1.00 7.27 H new ATOM 0 HG23 ILE A 125 -4.067 -21.066 -4.254 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -3.489 -19.298 -0.299 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -5.111 -18.725 -0.755 1.00 6.48 H new ATOM 0 HD13 ILE A 125 -4.680 -20.439 -0.965 1.00 6.48 H new ATOM 1908 N ARG A 126 -6.386 -18.463 -6.156 1.00 9.53 N ATOM 1909 CA ARG A 126 -7.227 -18.765 -7.339 1.00 10.70 C ATOM 1910 C ARG A 126 -6.418 -18.619 -8.634 1.00 10.89 C ATOM 1911 O ARG A 126 -6.599 -19.394 -9.578 1.00 11.45 O ATOM 1912 CB ARG A 126 -8.442 -17.829 -7.416 1.00 11.76 C ATOM 1913 CG ARG A 126 -9.295 -17.784 -6.156 1.00 12.03 C ATOM 1914 CD ARG A 126 -9.552 -16.349 -5.737 1.00 12.20 C ATOM 1915 NE ARG A 126 -10.331 -16.266 -4.496 1.00 12.92 N ATOM 1916 CZ ARG A 126 -11.033 -15.193 -4.104 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -11.072 -14.087 -4.845 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -11.701 -15.230 -2.960 1.00 14.26 N ATOM 0 H ARG A 126 -6.840 -17.848 -5.481 1.00 9.53 H new ATOM 0 HA ARG A 126 -7.571 -19.794 -7.230 1.00 10.70 H new ATOM 0 HB2 ARG A 126 -8.092 -16.821 -7.637 1.00 11.76 H new ATOM 0 HB3 ARG A 126 -9.069 -18.139 -8.252 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -10.243 -18.292 -6.334 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -8.792 -18.319 -5.351 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -8.600 -15.836 -5.602 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -10.084 -15.829 -6.534 1.00 12.20 H new ATOM 0 HE ARG A 126 -10.339 -17.084 -3.887 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -10.562 -14.046 -5.728 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -11.612 -13.281 -4.530 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -11.679 -16.071 -2.384 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -12.237 -14.417 -2.656 1.00 14.26 H new ATOM 1932 N GLU A 127 -5.522 -17.610 -8.659 1.00 10.50 N ATOM 1933 CA GLU A 127 -4.645 -17.370 -9.809 1.00 10.79 C ATOM 1934 C GLU A 127 -3.433 -18.307 -9.770 1.00 10.06 C ATOM 1935 O GLU A 127 -2.886 -18.672 -10.814 1.00 10.61 O ATOM 1936 CB GLU A 127 -4.170 -15.918 -9.816 1.00 10.70 C ATOM 1937 CG GLU A 127 -5.230 -14.918 -10.274 1.00 11.77 C ATOM 1938 CD GLU A 127 -5.400 -14.882 -11.784 1.00 12.85 C ATOM 1939 OE1 GLU A 127 -6.234 -15.651 -12.306 1.00 13.26 O ATOM 1940 OE2 GLU A 127 -4.700 -14.084 -12.441 1.00 13.42 O ATOM 0 H GLU A 127 -5.392 -16.951 -7.891 1.00 10.50 H new ATOM 0 HA GLU A 127 -5.213 -17.568 -10.718 1.00 10.79 H new ATOM 0 HB2 GLU A 127 -3.842 -15.649 -8.812 1.00 10.70 H new ATOM 0 HB3 GLU A 127 -3.301 -15.834 -10.468 1.00 10.70 H new ATOM 0 HG2 GLU A 127 -6.184 -15.172 -9.812 1.00 11.77 H new ATOM 0 HG3 GLU A 127 -4.960 -13.923 -9.921 1.00 11.77 H new ATOM 1947 N ALA A 128 -3.028 -18.686 -8.546 1.00 8.89 N ATOM 1948 CA ALA A 128 -1.892 -19.589 -8.319 1.00 8.16 C ATOM 1949 C ALA A 128 -2.190 -21.043 -8.705 1.00 8.57 C ATOM 1950 O ALA A 128 -1.269 -21.803 -9.015 1.00 8.66 O ATOM 1951 CB ALA A 128 -1.517 -19.538 -6.858 1.00 6.87 C ATOM 0 H ALA A 128 -3.481 -18.374 -7.687 1.00 8.89 H new ATOM 0 HA ALA A 128 -1.076 -19.249 -8.957 1.00 8.16 H new ATOM 0 HB1 ALA A 128 -0.674 -20.204 -6.675 1.00 6.87 H new ATOM 0 HB2 ALA A 128 -1.239 -18.519 -6.589 1.00 6.87 H new ATOM 0 HB3 ALA A 128 -2.367 -19.854 -6.253 1.00 6.87 H new ATOM 1957 N ALA A 129 -3.489 -21.412 -8.659 1.00 8.95 N ATOM 1958 CA ALA A 129 -3.992 -22.774 -8.976 1.00 9.43 C ATOM 1959 C ALA A 129 -3.829 -23.710 -7.775 1.00 8.51 C ATOM 1960 O ALA A 129 -4.780 -24.392 -7.384 1.00 8.76 O ATOM 1961 CB ALA A 129 -3.347 -23.376 -10.231 1.00 10.42 C ATOM 0 H ALA A 129 -4.232 -20.764 -8.397 1.00 8.95 H new ATOM 0 HA ALA A 129 -5.054 -22.667 -9.196 1.00 9.43 H new ATOM 0 HB1 ALA A 129 -3.756 -24.371 -10.409 1.00 10.42 H new ATOM 0 HB2 ALA A 129 -3.557 -22.738 -11.090 1.00 10.42 H new ATOM 0 HB3 ALA A 129 -2.269 -23.447 -10.087 1.00 10.42 H new ATOM 1967 N ILE A 130 -2.607 -23.734 -7.197 1.00 7.54 N ATOM 1968 CA ILE A 130 -2.268 -24.550 -6.005 1.00 6.69 C ATOM 1969 C ILE A 130 -2.151 -26.048 -6.303 1.00 6.68 C ATOM 1970 O ILE A 130 -1.241 -26.718 -5.811 1.00 6.97 O ATOM 1971 CB ILE A 130 -3.263 -24.262 -4.815 1.00 5.80 C ATOM 1972 CG1 ILE A 130 -2.510 -23.729 -3.584 1.00 5.43 C ATOM 1973 CG2 ILE A 130 -4.108 -25.474 -4.414 1.00 6.19 C ATOM 1974 CD1 ILE A 130 -1.775 -22.416 -3.803 1.00 4.53 C ATOM 0 H ILE A 130 -1.822 -23.184 -7.546 1.00 7.54 H new ATOM 0 HA ILE A 130 -1.271 -24.237 -5.695 1.00 6.69 H new ATOM 0 HB ILE A 130 -3.950 -23.503 -5.187 1.00 5.80 H new ATOM 0 HG12 ILE A 130 -3.222 -23.599 -2.769 1.00 5.43 H new ATOM 0 HG13 ILE A 130 -1.791 -24.482 -3.262 1.00 5.43 H new ATOM 0 HG21 ILE A 130 -4.768 -25.201 -3.590 1.00 6.19 H new ATOM 0 HG22 ILE A 130 -4.706 -25.799 -5.266 1.00 6.19 H new ATOM 0 HG23 ILE A 130 -3.453 -26.286 -4.100 1.00 6.19 H new ATOM 0 HD11 ILE A 130 -1.275 -22.121 -2.881 1.00 4.53 H new ATOM 0 HD12 ILE A 130 -1.035 -22.541 -4.593 1.00 4.53 H new ATOM 0 HD13 ILE A 130 -2.488 -21.644 -4.093 1.00 4.53 H new ATOM 1986 N ASP A 131 -3.076 -26.544 -7.106 1.00 6.58 N ATOM 1987 CA ASP A 131 -3.134 -27.950 -7.477 1.00 6.68 C ATOM 1988 C ASP A 131 -2.147 -28.302 -8.588 1.00 6.59 C ATOM 1989 O ASP A 131 -1.777 -27.449 -9.400 1.00 6.80 O ATOM 1990 CB ASP A 131 -4.560 -28.316 -7.889 1.00 7.70 C ATOM 1991 CG ASP A 131 -5.442 -28.635 -6.698 1.00 7.98 C ATOM 1992 OD1 ASP A 131 -6.084 -27.704 -6.169 1.00 8.18 O ATOM 1993 OD2 ASP A 131 -5.491 -29.816 -6.295 1.00 8.25 O ATOM 0 H ASP A 131 -3.815 -25.978 -7.523 1.00 6.58 H new ATOM 0 HA ASP A 131 -2.844 -28.534 -6.604 1.00 6.68 H new ATOM 0 HB2 ASP A 131 -4.997 -27.490 -8.450 1.00 7.70 H new ATOM 0 HB3 ASP A 131 -4.533 -29.176 -8.558 1.00 7.70 H new ATOM 1998 N GLY A 132 -1.736 -29.574 -8.600 1.00 6.49 N ATOM 1999 CA GLY A 132 -0.782 -30.059 -9.582 1.00 6.52 C ATOM 2000 C GLY A 132 0.589 -30.273 -8.972 1.00 5.87 C ATOM 2001 O GLY A 132 1.202 -31.328 -9.165 1.00 6.01 O ATOM 0 H GLY A 132 -2.054 -30.281 -7.937 1.00 6.49 H new ATOM 0 HA2 GLY A 132 -1.142 -30.996 -10.007 1.00 6.52 H new ATOM 0 HA3 GLY A 132 -0.708 -29.344 -10.402 1.00 6.52 H new ATOM 2005 N ASP A 133 1.062 -29.263 -8.235 1.00 5.34 N ATOM 2006 CA ASP A 133 2.362 -29.310 -7.576 1.00 4.95 C ATOM 2007 C ASP A 133 2.156 -29.286 -6.089 1.00 4.57 C ATOM 2008 O ASP A 133 2.922 -29.869 -5.316 1.00 4.65 O ATOM 2009 CB ASP A 133 3.167 -28.073 -7.914 1.00 4.99 C ATOM 2010 CG ASP A 133 4.638 -28.364 -8.137 1.00 5.63 C ATOM 2011 OD1 ASP A 133 5.410 -28.311 -7.156 1.00 6.07 O ATOM 2012 OD2 ASP A 133 5.019 -28.646 -9.293 1.00 5.97 O ATOM 0 H ASP A 133 0.552 -28.393 -8.081 1.00 5.34 H new ATOM 0 HA ASP A 133 2.880 -30.211 -7.904 1.00 4.95 H new ATOM 0 HB2 ASP A 133 2.754 -27.612 -8.811 1.00 4.99 H new ATOM 0 HB3 ASP A 133 3.064 -27.348 -7.107 1.00 4.99 H new ATOM 2017 N GLY A 134 1.086 -28.587 -5.720 1.00 4.47 N ATOM 2018 CA GLY A 134 0.738 -28.408 -4.352 1.00 4.33 C ATOM 2019 C GLY A 134 1.342 -27.149 -3.732 1.00 3.73 C ATOM 2020 O GLY A 134 0.927 -26.725 -2.650 1.00 3.75 O ATOM 0 H GLY A 134 0.449 -28.137 -6.377 1.00 4.47 H new ATOM 0 HA2 GLY A 134 -0.347 -28.363 -4.264 1.00 4.33 H new ATOM 0 HA3 GLY A 134 1.068 -29.278 -3.784 1.00 4.33 H new ATOM 2024 N GLN A 135 2.323 -26.562 -4.431 1.00 3.55 N ATOM 2025 CA GLN A 135 3.005 -25.345 -3.989 1.00 3.33 C ATOM 2026 C GLN A 135 2.817 -24.227 -5.026 1.00 3.69 C ATOM 2027 O GLN A 135 2.007 -24.364 -5.950 1.00 4.33 O ATOM 2028 CB GLN A 135 4.491 -25.610 -3.783 1.00 3.82 C ATOM 2029 CG GLN A 135 4.821 -26.605 -2.671 1.00 4.41 C ATOM 2030 CD GLN A 135 4.800 -28.047 -3.144 1.00 5.26 C ATOM 2031 OE1 GLN A 135 3.774 -28.723 -3.071 1.00 5.74 O ATOM 2032 NE2 GLN A 135 5.938 -28.525 -3.633 1.00 5.78 N ATOM 0 H GLN A 135 2.665 -26.922 -5.322 1.00 3.55 H new ATOM 0 HA GLN A 135 2.569 -25.032 -3.040 1.00 3.33 H new ATOM 0 HB2 GLN A 135 4.912 -25.980 -4.718 1.00 3.82 H new ATOM 0 HB3 GLN A 135 4.986 -24.664 -3.563 1.00 3.82 H new ATOM 0 HG2 GLN A 135 5.806 -26.375 -2.265 1.00 4.41 H new ATOM 0 HG3 GLN A 135 4.105 -26.484 -1.858 1.00 4.41 H new ATOM 0 HE21 GLN A 135 6.765 -27.929 -3.675 1.00 5.78 H new ATOM 0 HE22 GLN A 135 5.985 -29.488 -3.967 1.00 5.78 H new ATOM 2041 N VAL A 136 3.566 -23.121 -4.867 1.00 3.59 N ATOM 2042 CA VAL A 136 3.483 -21.973 -5.772 1.00 4.23 C ATOM 2043 C VAL A 136 4.866 -21.385 -6.045 1.00 4.67 C ATOM 2044 O VAL A 136 5.831 -21.740 -5.375 1.00 4.74 O ATOM 2045 CB VAL A 136 2.551 -20.851 -5.202 1.00 4.02 C ATOM 2046 CG1 VAL A 136 2.161 -19.841 -6.264 1.00 3.51 C ATOM 2047 CG2 VAL A 136 1.292 -21.416 -4.575 1.00 5.08 C ATOM 0 H VAL A 136 4.240 -23.003 -4.111 1.00 3.59 H new ATOM 0 HA VAL A 136 3.057 -22.342 -6.705 1.00 4.23 H new ATOM 0 HB VAL A 136 3.135 -20.349 -4.431 1.00 4.02 H new ATOM 0 HG11 VAL A 136 1.515 -19.082 -5.824 1.00 3.51 H new ATOM 0 HG12 VAL A 136 3.058 -19.367 -6.663 1.00 3.51 H new ATOM 0 HG13 VAL A 136 1.629 -20.347 -7.070 1.00 3.51 H new ATOM 0 HG21 VAL A 136 0.678 -20.600 -4.194 1.00 5.08 H new ATOM 0 HG22 VAL A 136 0.731 -21.973 -5.325 1.00 5.08 H new ATOM 0 HG23 VAL A 136 1.561 -22.081 -3.755 1.00 5.08 H new ATOM 2057 N ASN A 137 4.948 -20.502 -7.060 1.00 5.28 N ATOM 2058 CA ASN A 137 6.202 -19.838 -7.407 1.00 5.95 C ATOM 2059 C ASN A 137 6.301 -18.484 -6.690 1.00 5.49 C ATOM 2060 O ASN A 137 5.381 -18.062 -5.983 1.00 4.60 O ATOM 2061 CB ASN A 137 6.391 -19.650 -8.928 1.00 7.18 C ATOM 2062 CG ASN A 137 6.080 -20.893 -9.743 1.00 7.90 C ATOM 2063 OD1 ASN A 137 6.984 -21.620 -10.154 1.00 8.11 O ATOM 2064 ND2 ASN A 137 4.797 -21.140 -9.981 1.00 8.51 N ATOM 0 H ASN A 137 4.157 -20.238 -7.648 1.00 5.28 H new ATOM 0 HA ASN A 137 7.005 -20.494 -7.072 1.00 5.95 H new ATOM 0 HB2 ASN A 137 5.750 -18.836 -9.266 1.00 7.18 H new ATOM 0 HB3 ASN A 137 7.420 -19.348 -9.122 1.00 7.18 H new ATOM 0 HD21 ASN A 137 4.528 -21.960 -10.524 1.00 8.51 H new ATOM 0 HD22 ASN A 137 4.081 -20.510 -9.620 1.00 8.51 H new ATOM 2071 N TYR A 138 7.435 -17.830 -6.897 1.00 6.22 N ATOM 2072 CA TYR A 138 7.775 -16.546 -6.284 1.00 6.03 C ATOM 2073 C TYR A 138 7.288 -15.370 -7.129 1.00 6.55 C ATOM 2074 O TYR A 138 6.850 -14.345 -6.598 1.00 6.13 O ATOM 2075 CB TYR A 138 9.310 -16.460 -6.113 1.00 6.78 C ATOM 2076 CG TYR A 138 10.055 -17.203 -7.205 1.00 7.93 C ATOM 2077 CD1 TYR A 138 9.831 -18.561 -7.408 1.00 8.62 C ATOM 2078 CD2 TYR A 138 10.909 -16.545 -8.073 1.00 8.50 C ATOM 2079 CE1 TYR A 138 10.422 -19.234 -8.423 1.00 9.65 C ATOM 2080 CE2 TYR A 138 11.528 -17.225 -9.101 1.00 9.54 C ATOM 2081 CZ TYR A 138 11.279 -18.573 -9.277 1.00 10.06 C ATOM 2082 OH TYR A 138 11.881 -19.254 -10.310 1.00 11.13 O ATOM 0 H TYR A 138 8.167 -18.185 -7.513 1.00 6.22 H new ATOM 0 HA TYR A 138 7.279 -16.487 -5.315 1.00 6.03 H new ATOM 0 HB2 TYR A 138 9.615 -15.414 -6.116 1.00 6.78 H new ATOM 0 HB3 TYR A 138 9.588 -16.871 -5.143 1.00 6.78 H new ATOM 0 HD1 TYR A 138 9.169 -19.091 -6.739 1.00 8.62 H new ATOM 0 HD2 TYR A 138 11.093 -15.489 -7.944 1.00 8.50 H new ATOM 0 HE1 TYR A 138 10.223 -20.286 -8.563 1.00 9.65 H new ATOM 0 HE2 TYR A 138 12.204 -16.707 -9.765 1.00 9.54 H new ATOM 0 HH TYR A 138 12.453 -18.641 -10.817 1.00 11.13 H new ATOM 2092 N GLU A 139 7.376 -15.546 -8.452 1.00 7.59 N ATOM 2093 CA GLU A 139 6.973 -14.527 -9.429 1.00 8.39 C ATOM 2094 C GLU A 139 5.469 -14.551 -9.677 1.00 8.26 C ATOM 2095 O GLU A 139 4.890 -13.578 -10.164 1.00 8.61 O ATOM 2096 CB GLU A 139 7.682 -14.783 -10.754 1.00 9.64 C ATOM 2097 CG GLU A 139 9.189 -14.561 -10.716 1.00 10.21 C ATOM 2098 CD GLU A 139 9.851 -14.826 -12.055 1.00 11.39 C ATOM 2099 OE1 GLU A 139 9.962 -13.877 -12.860 1.00 11.90 O ATOM 2100 OE2 GLU A 139 10.258 -15.981 -12.298 1.00 11.94 O ATOM 0 H GLU A 139 7.730 -16.403 -8.878 1.00 7.59 H new ATOM 0 HA GLU A 139 7.247 -13.553 -9.023 1.00 8.39 H new ATOM 0 HB2 GLU A 139 7.486 -15.809 -11.064 1.00 9.64 H new ATOM 0 HB3 GLU A 139 7.250 -14.132 -11.514 1.00 9.64 H new ATOM 0 HG2 GLU A 139 9.394 -13.535 -10.410 1.00 10.21 H new ATOM 0 HG3 GLU A 139 9.630 -15.213 -9.962 1.00 10.21 H new ATOM 2107 N GLU A 140 4.861 -15.692 -9.373 1.00 7.94 N ATOM 2108 CA GLU A 140 3.425 -15.886 -9.558 1.00 8.10 C ATOM 2109 C GLU A 140 2.587 -15.375 -8.376 1.00 7.13 C ATOM 2110 O GLU A 140 1.609 -14.662 -8.595 1.00 7.54 O ATOM 2111 CB GLU A 140 3.116 -17.371 -9.808 1.00 8.42 C ATOM 2112 CG GLU A 140 3.560 -17.884 -11.176 1.00 9.47 C ATOM 2113 CD GLU A 140 2.601 -17.506 -12.292 1.00 9.95 C ATOM 2114 OE1 GLU A 140 1.666 -18.289 -12.563 1.00 10.29 O ATOM 2115 OE2 GLU A 140 2.785 -16.426 -12.893 1.00 10.17 O ATOM 0 H GLU A 140 5.345 -16.506 -8.993 1.00 7.94 H new ATOM 0 HA GLU A 140 3.144 -15.292 -10.428 1.00 8.10 H new ATOM 0 HB2 GLU A 140 3.602 -17.966 -9.035 1.00 8.42 H new ATOM 0 HB3 GLU A 140 2.042 -17.529 -9.705 1.00 8.42 H new ATOM 0 HG2 GLU A 140 4.549 -17.486 -11.404 1.00 9.47 H new ATOM 0 HG3 GLU A 140 3.654 -18.969 -11.138 1.00 9.47 H new ATOM 2122 N PHE A 141 2.954 -15.747 -7.136 1.00 5.98 N ATOM 2123 CA PHE A 141 2.176 -15.352 -5.961 1.00 5.06 C ATOM 2124 C PHE A 141 2.522 -13.997 -5.338 1.00 4.76 C ATOM 2125 O PHE A 141 1.693 -13.082 -5.357 1.00 5.06 O ATOM 2126 CB PHE A 141 2.221 -16.447 -4.901 1.00 3.97 C ATOM 2127 CG PHE A 141 0.916 -16.600 -4.203 1.00 3.73 C ATOM 2128 CD1 PHE A 141 0.014 -17.569 -4.595 1.00 3.83 C ATOM 2129 CD2 PHE A 141 0.598 -15.763 -3.159 1.00 4.10 C ATOM 2130 CE1 PHE A 141 -1.206 -17.699 -3.954 1.00 4.24 C ATOM 2131 CE2 PHE A 141 -0.605 -15.879 -2.515 1.00 4.47 C ATOM 2132 CZ PHE A 141 -1.507 -16.838 -2.912 1.00 4.52 C ATOM 0 H PHE A 141 3.776 -16.314 -6.929 1.00 5.98 H new ATOM 0 HA PHE A 141 1.165 -15.220 -6.346 1.00 5.06 H new ATOM 0 HB2 PHE A 141 2.496 -17.393 -5.368 1.00 3.97 H new ATOM 0 HB3 PHE A 141 2.997 -16.214 -4.172 1.00 3.97 H new ATOM 0 HD1 PHE A 141 0.263 -18.232 -5.410 1.00 3.83 H new ATOM 0 HD2 PHE A 141 1.303 -15.008 -2.844 1.00 4.10 H new ATOM 0 HE1 PHE A 141 -1.910 -18.458 -4.261 1.00 4.24 H new ATOM 0 HE2 PHE A 141 -0.845 -15.218 -1.696 1.00 4.47 H new ATOM 0 HZ PHE A 141 -2.458 -16.920 -2.407 1.00 4.52 H new ATOM 2142 N VAL A 142 3.731 -13.877 -4.787 1.00 4.40 N ATOM 2143 CA VAL A 142 4.184 -12.626 -4.117 1.00 4.15 C ATOM 2144 C VAL A 142 4.144 -11.474 -5.092 1.00 5.25 C ATOM 2145 O VAL A 142 3.704 -10.372 -4.761 1.00 5.25 O ATOM 2146 CB VAL A 142 5.623 -12.700 -3.530 1.00 4.09 C ATOM 2147 CG1 VAL A 142 5.749 -11.826 -2.290 1.00 3.37 C ATOM 2148 CG2 VAL A 142 6.026 -14.123 -3.219 1.00 3.96 C ATOM 0 H VAL A 142 4.425 -14.624 -4.784 1.00 4.40 H new ATOM 0 HA VAL A 142 3.495 -12.482 -3.285 1.00 4.15 H new ATOM 0 HB VAL A 142 6.305 -12.321 -4.292 1.00 4.09 H new ATOM 0 HG11 VAL A 142 6.764 -11.895 -1.898 1.00 3.37 H new ATOM 0 HG12 VAL A 142 5.530 -10.791 -2.551 1.00 3.37 H new ATOM 0 HG13 VAL A 142 5.044 -12.166 -1.532 1.00 3.37 H new ATOM 0 HG21 VAL A 142 7.037 -14.134 -2.811 1.00 3.96 H new ATOM 0 HG22 VAL A 142 5.335 -14.545 -2.489 1.00 3.96 H new ATOM 0 HG23 VAL A 142 5.997 -14.717 -4.132 1.00 3.96 H new ATOM 2158 N GLN A 143 4.624 -11.743 -6.296 1.00 6.26 N ATOM 2159 CA GLN A 143 4.601 -10.730 -7.354 1.00 7.42 C ATOM 2160 C GLN A 143 3.165 -10.340 -7.716 1.00 7.74 C ATOM 2161 O GLN A 143 2.928 -9.220 -8.180 1.00 8.48 O ATOM 2162 CB GLN A 143 5.373 -11.176 -8.596 1.00 8.47 C ATOM 2163 CG GLN A 143 6.824 -10.706 -8.622 1.00 9.24 C ATOM 2164 CD GLN A 143 7.362 -10.552 -10.032 1.00 10.23 C ATOM 2165 OE1 GLN A 143 7.982 -11.603 -10.551 1.00 10.70 O flip ATOM 2166 NE2 GLN A 143 7.227 -9.493 -10.646 1.00 10.74 N flip ATOM 0 H GLN A 143 5.030 -12.638 -6.568 1.00 6.26 H new ATOM 0 HA GLN A 143 5.106 -9.848 -6.959 1.00 7.42 H new ATOM 0 HB2 GLN A 143 5.353 -12.264 -8.653 1.00 8.47 H new ATOM 0 HB3 GLN A 143 4.863 -10.800 -9.483 1.00 8.47 H new ATOM 0 HG2 GLN A 143 6.902 -9.752 -8.101 1.00 9.24 H new ATOM 0 HG3 GLN A 143 7.443 -11.419 -8.077 1.00 9.24 H new ATOM 0 HE21 GLN A 143 6.743 -8.708 -10.209 1.00 10.74 H new ATOM 0 HE22 GLN A 143 7.599 -9.400 -11.591 1.00 10.74 H new ATOM 2175 N MET A 144 2.211 -11.265 -7.504 1.00 7.32 N ATOM 2176 CA MET A 144 0.806 -10.980 -7.773 1.00 7.88 C ATOM 2177 C MET A 144 0.115 -10.367 -6.567 1.00 7.37 C ATOM 2178 O MET A 144 -1.055 -9.974 -6.622 1.00 8.01 O ATOM 2179 CB MET A 144 0.056 -12.214 -8.272 1.00 8.04 C ATOM 2180 CG MET A 144 -0.873 -11.931 -9.443 1.00 9.33 C ATOM 2181 SD MET A 144 -2.172 -13.170 -9.622 1.00 9.76 S ATOM 2182 CE MET A 144 -3.399 -12.544 -8.477 1.00 9.64 C ATOM 0 H MET A 144 2.393 -12.204 -7.151 1.00 7.32 H new ATOM 0 HA MET A 144 0.785 -10.242 -8.575 1.00 7.88 H new ATOM 0 HB2 MET A 144 0.780 -12.973 -8.569 1.00 8.04 H new ATOM 0 HB3 MET A 144 -0.526 -12.632 -7.450 1.00 8.04 H new ATOM 0 HG2 MET A 144 -1.329 -10.950 -9.310 1.00 9.33 H new ATOM 0 HG3 MET A 144 -0.289 -11.889 -10.362 1.00 9.33 H new ATOM 0 HE1 MET A 144 -3.811 -13.370 -7.898 1.00 9.64 H new ATOM 0 HE2 MET A 144 -2.934 -11.825 -7.803 1.00 9.64 H new ATOM 0 HE3 MET A 144 -4.200 -12.056 -9.033 1.00 9.64 H new ATOM 2192 N MET A 145 0.874 -10.293 -5.497 1.00 6.37 N ATOM 2193 CA MET A 145 0.417 -9.688 -4.248 1.00 5.88 C ATOM 2194 C MET A 145 0.928 -8.245 -4.209 1.00 6.25 C ATOM 2195 O MET A 145 0.473 -7.419 -3.413 1.00 6.33 O ATOM 2196 CB MET A 145 0.823 -10.528 -3.009 1.00 4.66 C ATOM 2197 CG MET A 145 2.130 -10.137 -2.340 1.00 3.68 C ATOM 2198 SD MET A 145 1.952 -8.738 -1.216 1.00 3.52 S ATOM 2199 CE MET A 145 3.430 -7.809 -1.611 1.00 3.45 C ATOM 0 H MET A 145 1.829 -10.649 -5.459 1.00 6.37 H new ATOM 0 HA MET A 145 -0.672 -9.672 -4.211 1.00 5.88 H new ATOM 0 HB2 MET A 145 0.025 -10.459 -2.270 1.00 4.66 H new ATOM 0 HB3 MET A 145 0.890 -11.574 -3.309 1.00 4.66 H new ATOM 0 HG2 MET A 145 2.520 -10.992 -1.788 1.00 3.68 H new ATOM 0 HG3 MET A 145 2.865 -9.890 -3.106 1.00 3.68 H new ATOM 0 HE1 MET A 145 3.722 -7.207 -0.751 1.00 3.45 H new ATOM 0 HE2 MET A 145 4.236 -8.498 -1.862 1.00 3.45 H new ATOM 0 HE3 MET A 145 3.233 -7.156 -2.461 1.00 3.45 H new ATOM 2209 N THR A 146 1.892 -7.984 -5.105 1.00 6.65 N ATOM 2210 CA THR A 146 2.492 -6.671 -5.288 1.00 7.20 C ATOM 2211 C THR A 146 1.752 -5.941 -6.420 1.00 8.45 C ATOM 2212 O THR A 146 1.702 -4.708 -6.444 1.00 8.99 O ATOM 2213 CB THR A 146 3.999 -6.789 -5.638 1.00 7.31 C ATOM 2214 OG1 THR A 146 4.605 -7.829 -4.860 1.00 6.44 O ATOM 2215 CG2 THR A 146 4.743 -5.481 -5.381 1.00 7.72 C ATOM 0 H THR A 146 2.276 -8.695 -5.727 1.00 6.65 H new ATOM 0 HA THR A 146 2.406 -6.111 -4.357 1.00 7.20 H new ATOM 0 HB THR A 146 4.068 -7.024 -6.700 1.00 7.31 H new ATOM 0 HG1 THR A 146 4.265 -8.699 -5.156 1.00 6.44 H new ATOM 0 HG21 THR A 146 5.795 -5.604 -5.638 1.00 7.72 H new ATOM 0 HG22 THR A 146 4.310 -4.690 -5.993 1.00 7.72 H new ATOM 0 HG23 THR A 146 4.656 -5.214 -4.328 1.00 7.72 H new ATOM 2223 N ALA A 147 1.180 -6.729 -7.354 1.00 8.92 N ATOM 2224 CA ALA A 147 0.428 -6.184 -8.484 1.00 10.15 C ATOM 2225 C ALA A 147 -1.070 -6.120 -8.174 1.00 10.43 C ATOM 2226 O ALA A 147 -1.762 -5.205 -8.631 1.00 11.37 O ATOM 2227 CB ALA A 147 0.673 -7.022 -9.728 1.00 10.68 C ATOM 0 H ALA A 147 1.230 -7.748 -7.340 1.00 8.92 H new ATOM 0 HA ALA A 147 0.777 -5.167 -8.664 1.00 10.15 H new ATOM 0 HB1 ALA A 147 0.108 -6.607 -10.563 1.00 10.68 H new ATOM 0 HB2 ALA A 147 1.736 -7.013 -9.969 1.00 10.68 H new ATOM 0 HB3 ALA A 147 0.351 -8.047 -9.545 1.00 10.68 H new ATOM 2233 N LYS A 148 -1.560 -7.098 -7.394 1.00 9.72 N ATOM 2234 CA LYS A 148 -2.962 -7.167 -7.015 1.00 10.13 C ATOM 2235 C LYS A 148 -3.108 -7.455 -5.521 1.00 9.70 C ATOM 2236 O LYS A 148 -2.645 -8.527 -5.071 1.00 9.60 O ATOM 2237 CB LYS A 148 -3.708 -8.233 -7.840 1.00 10.60 C ATOM 2238 CG LYS A 148 -3.981 -7.831 -9.288 1.00 11.38 C ATOM 2239 CD LYS A 148 -2.833 -8.220 -10.212 1.00 11.36 C ATOM 2240 CE LYS A 148 -3.108 -7.821 -11.656 1.00 12.34 C ATOM 2241 NZ LYS A 148 -4.132 -8.696 -12.296 1.00 12.59 N ATOM 2242 OXT LYS A 148 -3.686 -6.605 -4.812 1.00 9.69 O ATOM 0 H LYS A 148 -0.990 -7.855 -7.015 1.00 9.72 H new ATOM 0 HA LYS A 148 -3.410 -6.196 -7.226 1.00 10.13 H new ATOM 0 HB2 LYS A 148 -3.124 -9.153 -7.835 1.00 10.60 H new ATOM 0 HB3 LYS A 148 -4.657 -8.455 -7.352 1.00 10.60 H new ATOM 0 HG2 LYS A 148 -4.900 -8.308 -9.630 1.00 11.38 H new ATOM 0 HG3 LYS A 148 -4.141 -6.754 -9.342 1.00 11.38 H new ATOM 0 HD2 LYS A 148 -1.915 -7.742 -9.872 1.00 11.36 H new ATOM 0 HD3 LYS A 148 -2.671 -9.297 -10.157 1.00 11.36 H new ATOM 0 HE2 LYS A 148 -3.447 -6.785 -11.687 1.00 12.34 H new ATOM 0 HE3 LYS A 148 -2.181 -7.871 -12.228 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 -4.287 -8.388 -13.277 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 -3.799 -9.681 -12.291 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 -5.025 -8.630 -11.767 1.00 12.59 H new