USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 657 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 33 CYS SG : rot -23:sc= 1.33 USER MOD Set 1.2: A 83 CYS SG : rot 172:sc= 0.755 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.051 (180deg=-0.329) USER MOD Single : A 15 GLN :FLIP amide:sc= -4.16! C(o=-5.8!,f=-4.2!) USER MOD Single : A 18 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-4.6!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 28 SER OG : rot 37:sc= 1.1 USER MOD Single : A 30 THR OG1 : rot -22:sc= 0.632 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= 0.639 F(o=-0.0093,f=0.64) USER MOD Single : A 39 GLN : amide:sc= -0.0283 K(o=-0.028,f=-1.3) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= 0.275 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= 0.0615 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.01) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 48:sc= 0.302 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.225 USER MOD Single : A 65 THR OG1 : rot 15:sc= 0.386 USER MOD Single : A 71 GLN : amide:sc= -0.0716 K(o=-0.072,f=-1.7!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.24) USER MOD Single : A 81 TYR OH : rot 24:sc= 0.99 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 89 GLN :FLIP amide:sc= -5.98! C(o=-6.7!,f=-6!) USER MOD Single : A 91 SER OG : rot 80:sc= 0.0402 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 6.651 17.187 3.324 1.00 0.00 N ATOM 89 CA VAL A 9 7.316 16.314 2.364 1.00 0.00 C ATOM 90 C VAL A 9 7.953 15.116 3.060 1.00 0.00 C ATOM 91 O VAL A 9 8.931 15.259 3.794 1.00 0.00 O ATOM 92 CB VAL A 9 8.400 17.070 1.573 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.920 16.215 0.428 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.856 18.394 1.057 1.00 0.00 C ATOM 0 HA VAL A 9 6.550 15.964 1.672 1.00 0.00 H new ATOM 0 HB VAL A 9 9.233 17.282 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.685 16.766 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.350 15.296 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.098 15.969 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.635 18.915 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.005 18.207 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.538 19.009 1.899 1.00 0.00 H new ATOM 104 N VAL A 10 7.391 13.935 2.826 1.00 0.00 N ATOM 105 CA VAL A 10 7.905 12.711 3.429 1.00 0.00 C ATOM 106 C VAL A 10 8.447 11.760 2.367 1.00 0.00 C ATOM 107 O VAL A 10 9.384 11.002 2.617 1.00 0.00 O ATOM 108 CB VAL A 10 6.816 11.987 4.243 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.394 10.761 4.935 1.00 0.00 C ATOM 110 CG2 VAL A 10 6.190 12.934 5.255 1.00 0.00 C ATOM 0 H VAL A 10 6.579 13.800 2.223 1.00 0.00 H new ATOM 0 HA VAL A 10 8.715 13.003 4.098 1.00 0.00 H new ATOM 0 HB VAL A 10 6.035 11.655 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.611 10.262 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.792 10.075 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.194 11.067 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.423 12.406 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.959 13.298 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.739 13.778 4.733 1.00 0.00 H new ATOM 120 N PHE A 11 7.851 11.806 1.180 1.00 0.00 N ATOM 121 CA PHE A 11 8.273 10.949 0.079 1.00 0.00 C ATOM 122 C PHE A 11 8.938 11.767 -1.024 1.00 0.00 C ATOM 123 O PHE A 11 8.944 12.997 -0.981 1.00 0.00 O ATOM 124 CB PHE A 11 7.075 10.185 -0.489 1.00 0.00 C ATOM 125 CG PHE A 11 6.364 9.342 0.530 1.00 0.00 C ATOM 126 CD1 PHE A 11 5.441 9.907 1.395 1.00 0.00 C ATOM 127 CD2 PHE A 11 6.617 7.983 0.622 1.00 0.00 C ATOM 128 CE1 PHE A 11 4.786 9.133 2.334 1.00 0.00 C ATOM 129 CE2 PHE A 11 5.965 7.203 1.559 1.00 0.00 C ATOM 130 CZ PHE A 11 5.047 7.780 2.415 1.00 0.00 C ATOM 0 H PHE A 11 7.074 12.428 0.956 1.00 0.00 H new ATOM 0 HA PHE A 11 9.000 10.235 0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.369 10.897 -0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.415 9.546 -1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.231 10.965 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.332 7.527 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.070 9.586 3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.173 6.145 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.534 7.173 3.147 1.00 0.00 H new ATOM 140 N ALA A 12 9.499 11.075 -2.010 1.00 0.00 N ATOM 141 CA ALA A 12 10.166 11.736 -3.125 1.00 0.00 C ATOM 142 C ALA A 12 9.182 12.575 -3.933 1.00 0.00 C ATOM 143 O ALA A 12 8.020 12.202 -4.097 1.00 0.00 O ATOM 144 CB ALA A 12 10.845 10.709 -4.018 1.00 0.00 C ATOM 0 H ALA A 12 9.505 10.056 -2.059 1.00 0.00 H new ATOM 0 HA ALA A 12 10.925 12.405 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.339 11.217 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.584 10.156 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.099 10.017 -4.410 1.00 0.00 H new ATOM 150 N LYS A 13 9.654 13.710 -4.437 1.00 0.00 N ATOM 151 CA LYS A 13 8.817 14.603 -5.230 1.00 0.00 C ATOM 152 C LYS A 13 8.334 13.911 -6.500 1.00 0.00 C ATOM 153 O LYS A 13 7.245 14.196 -6.997 1.00 0.00 O ATOM 154 CB LYS A 13 9.589 15.874 -5.591 1.00 0.00 C ATOM 155 CG LYS A 13 10.853 15.610 -6.391 1.00 0.00 C ATOM 156 CD LYS A 13 12.060 15.433 -5.485 1.00 0.00 C ATOM 157 CE LYS A 13 13.338 15.906 -6.161 1.00 0.00 C ATOM 158 NZ LYS A 13 13.360 17.385 -6.332 1.00 0.00 N ATOM 0 H LYS A 13 10.613 14.034 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 13 7.947 14.872 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.938 16.535 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.852 16.402 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.719 14.715 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.030 16.438 -7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.908 15.991 -4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.159 14.383 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.199 15.596 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.433 15.426 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.344 17.710 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.832 17.643 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.919 17.837 -5.505 1.00 0.00 H new ATOM 172 N GLU A 14 9.151 12.999 -7.019 1.00 0.00 N ATOM 173 CA GLU A 14 8.805 12.267 -8.232 1.00 0.00 C ATOM 174 C GLU A 14 8.068 10.974 -7.894 1.00 0.00 C ATOM 175 O GLU A 14 8.234 9.959 -8.570 1.00 0.00 O ATOM 176 CB GLU A 14 10.065 11.952 -9.041 1.00 0.00 C ATOM 177 CG GLU A 14 10.868 13.185 -9.421 1.00 0.00 C ATOM 178 CD GLU A 14 11.752 12.955 -10.631 1.00 0.00 C ATOM 179 OE1 GLU A 14 12.342 11.859 -10.734 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.856 13.870 -11.473 1.00 0.00 O ATOM 0 H GLU A 14 10.056 12.750 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 14 8.146 12.896 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.699 11.280 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.780 11.420 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.185 14.010 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.487 13.486 -8.576 1.00 0.00 H new ATOM 187 N GLN A 15 7.254 11.020 -6.845 1.00 0.00 N ATOM 188 CA GLN A 15 6.493 9.852 -6.417 1.00 0.00 C ATOM 189 C GLN A 15 5.157 9.775 -7.150 1.00 0.00 C ATOM 190 O GLN A 15 4.426 10.759 -7.264 1.00 0.00 O ATOM 191 CB GLN A 15 6.257 9.896 -4.906 1.00 0.00 C ATOM 192 CG GLN A 15 7.513 9.646 -4.087 1.00 0.00 C ATOM 193 CD GLN A 15 7.710 8.181 -3.753 1.00 0.00 C ATOM 194 OE1 GLN A 15 8.863 7.853 -3.181 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 6.835 7.352 -4.005 1.00 0.00 N flip ATOM 0 H GLN A 15 7.104 11.853 -6.276 1.00 0.00 H new ATOM 0 HA GLN A 15 7.073 8.962 -6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.847 10.870 -4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.507 9.151 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.380 10.009 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.460 10.221 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.964 7.648 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.981 6.369 -3.773 1.00 0.00 H new ATOM 204 N PRO A 16 4.830 8.578 -7.659 1.00 0.00 N ATOM 205 CA PRO A 16 3.580 8.343 -8.389 1.00 0.00 C ATOM 206 C PRO A 16 2.358 8.401 -7.480 1.00 0.00 C ATOM 207 O PRO A 16 2.139 7.509 -6.661 1.00 0.00 O ATOM 208 CB PRO A 16 3.760 6.933 -8.955 1.00 0.00 C ATOM 209 CG PRO A 16 4.727 6.275 -8.033 1.00 0.00 C ATOM 210 CD PRO A 16 5.653 7.361 -7.560 1.00 0.00 C ATOM 0 HA PRO A 16 3.403 9.103 -9.150 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.813 6.395 -8.985 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.143 6.962 -9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.211 5.809 -7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.279 5.487 -8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.989 7.185 -6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.545 7.428 -8.182 1.00 0.00 H new ATOM 218 N ALA A 17 1.564 9.456 -7.630 1.00 0.00 N ATOM 219 CA ALA A 17 0.361 9.628 -6.824 1.00 0.00 C ATOM 220 C ALA A 17 -0.304 8.286 -6.538 1.00 0.00 C ATOM 221 O ALA A 17 -0.833 8.064 -5.448 1.00 0.00 O ATOM 222 CB ALA A 17 -0.613 10.564 -7.523 1.00 0.00 C ATOM 0 H ALA A 17 1.732 10.205 -8.302 1.00 0.00 H new ATOM 0 HA ALA A 17 0.652 10.070 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.506 10.683 -6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.142 11.536 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.890 10.145 -8.490 1.00 0.00 H new ATOM 228 N HIS A 18 -0.276 7.394 -7.523 1.00 0.00 N ATOM 229 CA HIS A 18 -0.877 6.073 -7.377 1.00 0.00 C ATOM 230 C HIS A 18 -0.287 5.093 -8.386 1.00 0.00 C ATOM 231 O HIS A 18 -0.414 5.281 -9.596 1.00 0.00 O ATOM 232 CB HIS A 18 -2.393 6.157 -7.556 1.00 0.00 C ATOM 233 CG HIS A 18 -3.009 4.885 -8.050 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.569 3.636 -7.665 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.039 4.673 -8.903 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.300 2.711 -8.261 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.199 3.314 -9.017 1.00 0.00 N ATOM 0 H HIS A 18 0.157 7.562 -8.431 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.657 5.710 -6.373 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.849 6.426 -6.603 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.624 6.959 -8.257 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.625 5.431 -9.401 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.182 1.643 -8.149 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.899 2.846 -9.593 1.00 0.00 H new ATOM 246 N ARG A 19 0.358 4.047 -7.880 1.00 0.00 N ATOM 247 CA ARG A 19 0.969 3.039 -8.737 1.00 0.00 C ATOM 248 C ARG A 19 0.113 1.777 -8.787 1.00 0.00 C ATOM 249 O ARG A 19 -0.723 1.548 -7.914 1.00 0.00 O ATOM 250 CB ARG A 19 2.373 2.696 -8.236 1.00 0.00 C ATOM 251 CG ARG A 19 3.241 2.010 -9.279 1.00 0.00 C ATOM 252 CD ARG A 19 4.659 1.798 -8.771 1.00 0.00 C ATOM 253 NE ARG A 19 5.512 1.169 -9.776 1.00 0.00 N ATOM 254 CZ ARG A 19 5.580 -0.145 -9.964 1.00 0.00 C ATOM 255 NH1 ARG A 19 4.849 -0.963 -9.219 1.00 0.00 N ATOM 256 NH2 ARG A 19 6.380 -0.642 -10.898 1.00 0.00 N ATOM 0 H ARG A 19 0.471 3.876 -6.881 1.00 0.00 H new ATOM 0 HA ARG A 19 1.040 3.449 -9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.867 3.611 -7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.290 2.050 -7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.801 1.049 -9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.265 2.612 -10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.087 2.757 -8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.634 1.176 -7.876 1.00 0.00 H new ATOM 0 HE ARG A 19 6.087 1.771 -10.366 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.233 -0.584 -8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.903 -1.971 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.944 -0.016 -11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.431 -1.651 -11.041 1.00 0.00 H new ATOM 270 N GLU A 20 0.328 0.962 -9.816 1.00 0.00 N ATOM 271 CA GLU A 20 -0.425 -0.276 -9.980 1.00 0.00 C ATOM 272 C GLU A 20 0.508 -1.482 -9.997 1.00 0.00 C ATOM 273 O GLU A 20 1.470 -1.527 -10.765 1.00 0.00 O ATOM 274 CB GLU A 20 -1.245 -0.233 -11.271 1.00 0.00 C ATOM 275 CG GLU A 20 -2.286 0.874 -11.295 1.00 0.00 C ATOM 276 CD GLU A 20 -3.399 0.607 -12.289 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.139 0.687 -13.507 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.531 0.318 -11.847 1.00 0.00 O ATOM 0 H GLU A 20 1.017 1.137 -10.548 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.102 -0.374 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.569 -0.103 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.744 -1.192 -11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.713 0.987 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.801 1.818 -11.543 1.00 0.00 H new ATOM 285 N VAL A 21 0.218 -2.460 -9.144 1.00 0.00 N ATOM 286 CA VAL A 21 1.030 -3.668 -9.061 1.00 0.00 C ATOM 287 C VAL A 21 0.202 -4.910 -9.373 1.00 0.00 C ATOM 288 O VAL A 21 -0.937 -5.036 -8.924 1.00 0.00 O ATOM 289 CB VAL A 21 1.663 -3.824 -7.666 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.464 -5.115 -7.584 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.538 -2.622 -7.341 1.00 0.00 C ATOM 0 H VAL A 21 -0.573 -2.439 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 21 1.823 -3.568 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 21 0.864 -3.873 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.904 -5.208 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.806 -5.964 -7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.257 -5.099 -8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.977 -2.749 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.332 -2.539 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.932 -1.716 -7.355 1.00 0.00 H new ATOM 301 N GLN A 22 0.783 -5.823 -10.144 1.00 0.00 N ATOM 302 CA GLN A 22 0.098 -7.055 -10.516 1.00 0.00 C ATOM 303 C GLN A 22 0.850 -8.275 -9.995 1.00 0.00 C ATOM 304 O GLN A 22 2.076 -8.260 -9.884 1.00 0.00 O ATOM 305 CB GLN A 22 -0.050 -7.143 -12.036 1.00 0.00 C ATOM 306 CG GLN A 22 -1.145 -8.096 -12.487 1.00 0.00 C ATOM 307 CD GLN A 22 -1.352 -8.079 -13.989 1.00 0.00 C ATOM 308 OE1 GLN A 22 -1.340 -7.019 -14.617 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.542 -9.255 -14.574 1.00 0.00 N ATOM 0 H GLN A 22 1.726 -5.733 -10.523 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.893 -7.041 -10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.260 -6.149 -12.430 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.899 -7.463 -12.467 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.894 -9.108 -12.170 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.079 -7.830 -11.992 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.544 -10.108 -14.015 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.686 -9.306 -15.583 1.00 0.00 H new ATOM 318 N ALA A 23 0.108 -9.331 -9.677 1.00 0.00 N ATOM 319 CA ALA A 23 0.706 -10.560 -9.170 1.00 0.00 C ATOM 320 C ALA A 23 -0.165 -11.769 -9.496 1.00 0.00 C ATOM 321 O ALA A 23 -1.294 -11.624 -9.962 1.00 0.00 O ATOM 322 CB ALA A 23 0.929 -10.457 -7.668 1.00 0.00 C ATOM 0 H ALA A 23 -0.908 -9.360 -9.762 1.00 0.00 H new ATOM 0 HA ALA A 23 1.670 -10.696 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.376 -11.381 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.597 -9.622 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.026 -10.294 -7.169 1.00 0.00 H new ATOM 328 N GLU A 24 0.368 -12.961 -9.246 1.00 0.00 N ATOM 329 CA GLU A 24 -0.361 -14.195 -9.515 1.00 0.00 C ATOM 330 C GLU A 24 -0.788 -14.869 -8.215 1.00 0.00 C ATOM 331 O GLU A 24 -0.232 -14.597 -7.151 1.00 0.00 O ATOM 332 CB GLU A 24 0.501 -15.153 -10.340 1.00 0.00 C ATOM 333 CG GLU A 24 0.355 -14.964 -11.841 1.00 0.00 C ATOM 334 CD GLU A 24 -0.749 -15.819 -12.432 1.00 0.00 C ATOM 335 OE1 GLU A 24 -1.111 -16.836 -11.805 1.00 0.00 O ATOM 336 OE2 GLU A 24 -1.251 -15.471 -13.521 1.00 0.00 O ATOM 0 H GLU A 24 1.301 -13.098 -8.858 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.256 -13.942 -10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.547 -15.016 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.236 -16.179 -10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.150 -13.915 -12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.299 -15.209 -12.328 1.00 0.00 H new ATOM 343 N ALA A 25 -1.779 -15.749 -8.309 1.00 0.00 N ATOM 344 CA ALA A 25 -2.280 -16.463 -7.141 1.00 0.00 C ATOM 345 C ALA A 25 -1.215 -17.391 -6.566 1.00 0.00 C ATOM 346 O ALA A 25 -0.743 -18.305 -7.241 1.00 0.00 O ATOM 347 CB ALA A 25 -3.530 -17.252 -7.501 1.00 0.00 C ATOM 0 H ALA A 25 -2.251 -15.985 -9.182 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.534 -15.727 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.893 -17.780 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.301 -16.569 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.293 -17.973 -8.284 1.00 0.00 H new ATOM 353 N GLY A 26 -0.839 -17.149 -5.314 1.00 0.00 N ATOM 354 CA GLY A 26 0.169 -17.970 -4.670 1.00 0.00 C ATOM 355 C GLY A 26 1.551 -17.350 -4.733 1.00 0.00 C ATOM 356 O GLY A 26 2.468 -17.788 -4.039 1.00 0.00 O ATOM 0 H GLY A 26 -1.215 -16.399 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.108 -18.128 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.192 -18.951 -5.146 1.00 0.00 H new ATOM 360 N ALA A 27 1.701 -16.328 -5.570 1.00 0.00 N ATOM 361 CA ALA A 27 2.980 -15.646 -5.721 1.00 0.00 C ATOM 362 C ALA A 27 3.241 -14.703 -4.552 1.00 0.00 C ATOM 363 O ALA A 27 2.450 -14.630 -3.611 1.00 0.00 O ATOM 364 CB ALA A 27 3.019 -14.882 -7.036 1.00 0.00 C ATOM 0 H ALA A 27 0.952 -15.955 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 27 3.767 -16.400 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.980 -14.378 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.887 -15.577 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.218 -14.143 -7.051 1.00 0.00 H new ATOM 370 N SER A 28 4.356 -13.982 -4.616 1.00 0.00 N ATOM 371 CA SER A 28 4.724 -13.047 -3.560 1.00 0.00 C ATOM 372 C SER A 28 4.854 -11.630 -4.110 1.00 0.00 C ATOM 373 O SER A 28 5.866 -11.277 -4.714 1.00 0.00 O ATOM 374 CB SER A 28 6.040 -13.474 -2.906 1.00 0.00 C ATOM 375 OG SER A 28 7.108 -13.435 -3.836 1.00 0.00 O ATOM 0 H SER A 28 5.020 -14.028 -5.389 1.00 0.00 H new ATOM 0 HA SER A 28 3.934 -13.057 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.262 -12.817 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.940 -14.482 -2.505 1.00 0.00 H new ATOM 0 HG SER A 28 6.988 -12.673 -4.441 1.00 0.00 H new ATOM 381 N ALA A 29 3.820 -10.822 -3.897 1.00 0.00 N ATOM 382 CA ALA A 29 3.818 -9.443 -4.369 1.00 0.00 C ATOM 383 C ALA A 29 4.848 -8.605 -3.620 1.00 0.00 C ATOM 384 O ALA A 29 5.387 -9.031 -2.598 1.00 0.00 O ATOM 385 CB ALA A 29 2.431 -8.836 -4.219 1.00 0.00 C ATOM 0 H ALA A 29 2.973 -11.099 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 29 4.089 -9.446 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.444 -7.806 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.716 -9.414 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.138 -8.853 -3.169 1.00 0.00 H new ATOM 391 N THR A 30 5.119 -7.409 -4.135 1.00 0.00 N ATOM 392 CA THR A 30 6.086 -6.512 -3.516 1.00 0.00 C ATOM 393 C THR A 30 5.830 -5.064 -3.920 1.00 0.00 C ATOM 394 O THR A 30 6.014 -4.691 -5.079 1.00 0.00 O ATOM 395 CB THR A 30 7.529 -6.892 -3.896 1.00 0.00 C ATOM 396 OG1 THR A 30 7.778 -8.263 -3.567 1.00 0.00 O ATOM 397 CG2 THR A 30 8.531 -6.002 -3.176 1.00 0.00 C ATOM 0 H THR A 30 4.682 -7.040 -4.979 1.00 0.00 H new ATOM 0 HA THR A 30 5.964 -6.612 -2.437 1.00 0.00 H new ATOM 0 HB THR A 30 7.647 -6.750 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.147 -8.553 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.543 -6.290 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.358 -4.962 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.411 -6.116 -2.099 1.00 0.00 H new ATOM 405 N LEU A 31 5.405 -4.253 -2.958 1.00 0.00 N ATOM 406 CA LEU A 31 5.125 -2.844 -3.214 1.00 0.00 C ATOM 407 C LEU A 31 6.251 -1.960 -2.689 1.00 0.00 C ATOM 408 O LEU A 31 6.292 -1.628 -1.504 1.00 0.00 O ATOM 409 CB LEU A 31 3.800 -2.441 -2.564 1.00 0.00 C ATOM 410 CG LEU A 31 2.656 -3.449 -2.690 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.488 -3.043 -1.806 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.213 -3.572 -4.141 1.00 0.00 C ATOM 0 H LEU A 31 5.247 -4.546 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 31 5.052 -2.704 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.979 -2.256 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.476 -1.497 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 31 3.015 -4.423 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.684 -3.771 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.814 -3.006 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.128 -2.060 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.399 -4.293 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.871 -2.601 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.051 -3.910 -4.750 1.00 0.00 H new ATOM 424 N SER A 32 7.163 -1.581 -3.579 1.00 0.00 N ATOM 425 CA SER A 32 8.292 -0.737 -3.205 1.00 0.00 C ATOM 426 C SER A 32 7.960 0.737 -3.416 1.00 0.00 C ATOM 427 O SER A 32 7.239 1.096 -4.347 1.00 0.00 O ATOM 428 CB SER A 32 9.530 -1.115 -4.019 1.00 0.00 C ATOM 429 OG SER A 32 10.502 -0.084 -3.978 1.00 0.00 O ATOM 0 H SER A 32 7.142 -1.845 -4.564 1.00 0.00 H new ATOM 0 HA SER A 32 8.500 -0.897 -2.147 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.958 -2.038 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.244 -1.309 -5.053 1.00 0.00 H new ATOM 0 HG SER A 32 11.284 -0.351 -4.505 1.00 0.00 H new ATOM 435 N CYS A 33 8.492 1.587 -2.544 1.00 0.00 N ATOM 436 CA CYS A 33 8.253 3.023 -2.633 1.00 0.00 C ATOM 437 C CYS A 33 9.397 3.805 -1.996 1.00 0.00 C ATOM 438 O CYS A 33 9.806 3.520 -0.871 1.00 0.00 O ATOM 439 CB CYS A 33 6.932 3.384 -1.953 1.00 0.00 C ATOM 440 SG CYS A 33 6.728 2.664 -0.307 1.00 0.00 S ATOM 0 H CYS A 33 9.091 1.306 -1.768 1.00 0.00 H new ATOM 0 HA CYS A 33 8.196 3.292 -3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.861 4.469 -1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.108 3.055 -2.586 1.00 0.00 H new ATOM 0 HG CYS A 33 7.477 1.607 -0.200 1.00 0.00 H new ATOM 446 N GLU A 34 9.911 4.791 -2.725 1.00 0.00 N ATOM 447 CA GLU A 34 11.010 5.612 -2.232 1.00 0.00 C ATOM 448 C GLU A 34 10.542 6.529 -1.106 1.00 0.00 C ATOM 449 O GLU A 34 9.345 6.764 -0.938 1.00 0.00 O ATOM 450 CB GLU A 34 11.604 6.446 -3.369 1.00 0.00 C ATOM 451 CG GLU A 34 12.370 5.623 -4.392 1.00 0.00 C ATOM 452 CD GLU A 34 12.834 6.448 -5.576 1.00 0.00 C ATOM 453 OE1 GLU A 34 13.795 7.229 -5.414 1.00 0.00 O ATOM 454 OE2 GLU A 34 12.236 6.314 -6.664 1.00 0.00 O ATOM 0 H GLU A 34 9.584 5.040 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 34 11.778 4.946 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.800 6.981 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.271 7.198 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.235 5.166 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.736 4.810 -4.747 1.00 0.00 H new ATOM 461 N VAL A 35 11.494 7.045 -0.336 1.00 0.00 N ATOM 462 CA VAL A 35 11.180 7.937 0.775 1.00 0.00 C ATOM 463 C VAL A 35 12.179 9.086 0.856 1.00 0.00 C ATOM 464 O VAL A 35 13.367 8.910 0.585 1.00 0.00 O ATOM 465 CB VAL A 35 11.173 7.182 2.117 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.909 6.347 2.253 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.414 6.310 2.243 1.00 0.00 C ATOM 0 H VAL A 35 12.490 6.861 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 35 10.184 8.338 0.587 1.00 0.00 H new ATOM 0 HB VAL A 35 11.186 7.913 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.922 5.821 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.036 6.998 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.862 5.623 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.393 5.783 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.434 5.585 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.305 6.936 2.193 1.00 0.00 H new ATOM 477 N ALA A 36 11.689 10.263 1.232 1.00 0.00 N ATOM 478 CA ALA A 36 12.540 11.441 1.351 1.00 0.00 C ATOM 479 C ALA A 36 13.524 11.293 2.506 1.00 0.00 C ATOM 480 O ALA A 36 14.608 11.874 2.488 1.00 0.00 O ATOM 481 CB ALA A 36 11.689 12.689 1.537 1.00 0.00 C ATOM 0 H ALA A 36 10.708 10.426 1.459 1.00 0.00 H new ATOM 0 HA ALA A 36 13.114 11.539 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.337 13.561 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.030 12.811 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.090 12.589 2.442 1.00 0.00 H new ATOM 487 N GLN A 37 13.138 10.511 3.510 1.00 0.00 N ATOM 488 CA GLN A 37 13.987 10.289 4.674 1.00 0.00 C ATOM 489 C GLN A 37 13.899 8.840 5.143 1.00 0.00 C ATOM 490 O GLN A 37 12.813 8.265 5.214 1.00 0.00 O ATOM 491 CB GLN A 37 13.587 11.230 5.812 1.00 0.00 C ATOM 492 CG GLN A 37 13.830 12.698 5.500 1.00 0.00 C ATOM 493 CD GLN A 37 15.295 13.078 5.588 1.00 0.00 C ATOM 494 OE1 GLN A 37 15.671 13.736 6.679 1.00 0.00 O flip ATOM 495 NE2 GLN A 37 16.079 12.785 4.686 1.00 0.00 N flip ATOM 0 H GLN A 37 12.244 10.021 3.540 1.00 0.00 H new ATOM 0 HA GLN A 37 15.017 10.497 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.531 11.085 6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.145 10.960 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.461 12.919 4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.257 13.313 6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.746 12.279 3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 37 17.062 13.048 4.759 1.00 0.00 H new ATOM 504 N ALA A 38 15.049 8.256 5.462 1.00 0.00 N ATOM 505 CA ALA A 38 15.102 6.875 5.925 1.00 0.00 C ATOM 506 C ALA A 38 14.634 6.763 7.372 1.00 0.00 C ATOM 507 O ALA A 38 13.800 5.920 7.700 1.00 0.00 O ATOM 508 CB ALA A 38 16.512 6.323 5.780 1.00 0.00 C ATOM 0 H ALA A 38 15.957 8.718 5.408 1.00 0.00 H new ATOM 0 HA ALA A 38 14.427 6.284 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.536 5.291 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.811 6.358 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.201 6.924 6.374 1.00 0.00 H new ATOM 514 N GLN A 39 15.177 7.618 8.232 1.00 0.00 N ATOM 515 CA GLN A 39 14.816 7.613 9.645 1.00 0.00 C ATOM 516 C GLN A 39 13.301 7.645 9.819 1.00 0.00 C ATOM 517 O GLN A 39 12.768 7.144 10.810 1.00 0.00 O ATOM 518 CB GLN A 39 15.448 8.809 10.359 1.00 0.00 C ATOM 519 CG GLN A 39 14.909 10.152 9.892 1.00 0.00 C ATOM 520 CD GLN A 39 15.820 11.306 10.258 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.852 11.117 10.903 1.00 0.00 O ATOM 522 NE2 GLN A 39 15.443 12.512 9.848 1.00 0.00 N ATOM 0 H GLN A 39 15.868 8.323 7.976 1.00 0.00 H new ATOM 0 HA GLN A 39 15.196 6.692 10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.279 8.712 11.431 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.527 8.786 10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.775 10.129 8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.925 10.317 10.332 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.580 12.623 9.316 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.017 13.327 10.065 1.00 0.00 H new ATOM 531 N THR A 40 12.611 8.238 8.850 1.00 0.00 N ATOM 532 CA THR A 40 11.157 8.337 8.896 1.00 0.00 C ATOM 533 C THR A 40 10.510 6.959 8.823 1.00 0.00 C ATOM 534 O THR A 40 10.999 6.070 8.126 1.00 0.00 O ATOM 535 CB THR A 40 10.616 9.207 7.747 1.00 0.00 C ATOM 536 OG1 THR A 40 10.883 10.589 8.011 1.00 0.00 O ATOM 537 CG2 THR A 40 9.120 9.000 7.569 1.00 0.00 C ATOM 0 H THR A 40 13.036 8.657 8.023 1.00 0.00 H new ATOM 0 HA THR A 40 10.902 8.805 9.847 1.00 0.00 H new ATOM 0 HB THR A 40 11.120 8.909 6.828 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.537 11.135 7.275 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.761 9.625 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.922 7.953 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.603 9.273 8.489 1.00 0.00 H new ATOM 545 N GLU A 41 9.408 6.788 9.547 1.00 0.00 N ATOM 546 CA GLU A 41 8.694 5.517 9.563 1.00 0.00 C ATOM 547 C GLU A 41 7.417 5.599 8.732 1.00 0.00 C ATOM 548 O GLU A 41 6.771 6.645 8.667 1.00 0.00 O ATOM 549 CB GLU A 41 8.356 5.115 11.000 1.00 0.00 C ATOM 550 CG GLU A 41 9.518 4.478 11.744 1.00 0.00 C ATOM 551 CD GLU A 41 9.156 4.083 13.162 1.00 0.00 C ATOM 552 OE1 GLU A 41 8.636 4.944 13.903 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.393 2.914 13.532 1.00 0.00 O ATOM 0 H GLU A 41 8.991 7.514 10.130 1.00 0.00 H new ATOM 0 HA GLU A 41 9.343 4.759 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.026 5.998 11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.519 4.417 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.853 3.595 11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.355 5.175 11.768 1.00 0.00 H new ATOM 560 N VAL A 42 7.059 4.488 8.096 1.00 0.00 N ATOM 561 CA VAL A 42 5.860 4.433 7.269 1.00 0.00 C ATOM 562 C VAL A 42 4.925 3.320 7.730 1.00 0.00 C ATOM 563 O VAL A 42 5.365 2.314 8.288 1.00 0.00 O ATOM 564 CB VAL A 42 6.210 4.212 5.786 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.352 5.125 5.365 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.562 2.753 5.533 1.00 0.00 C ATOM 0 H VAL A 42 7.583 3.614 8.138 1.00 0.00 H new ATOM 0 HA VAL A 42 5.358 5.394 7.377 1.00 0.00 H new ATOM 0 HB VAL A 42 5.336 4.461 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.585 4.955 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.058 6.165 5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.232 4.910 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.807 2.615 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.420 2.475 6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.711 2.123 5.793 1.00 0.00 H new ATOM 576 N THR A 43 3.630 3.507 7.494 1.00 0.00 N ATOM 577 CA THR A 43 2.631 2.520 7.886 1.00 0.00 C ATOM 578 C THR A 43 1.670 2.227 6.740 1.00 0.00 C ATOM 579 O THR A 43 0.980 3.122 6.252 1.00 0.00 O ATOM 580 CB THR A 43 1.825 2.992 9.110 1.00 0.00 C ATOM 581 OG1 THR A 43 2.710 3.284 10.197 1.00 0.00 O ATOM 582 CG2 THR A 43 0.821 1.933 9.538 1.00 0.00 C ATOM 0 H THR A 43 3.248 4.333 7.033 1.00 0.00 H new ATOM 0 HA THR A 43 3.171 1.609 8.146 1.00 0.00 H new ATOM 0 HB THR A 43 1.281 3.895 8.832 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.189 3.585 10.971 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.264 2.289 10.404 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.130 1.734 8.719 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.349 1.015 9.798 1.00 0.00 H new ATOM 590 N TRP A 44 1.628 0.969 6.316 1.00 0.00 N ATOM 591 CA TRP A 44 0.749 0.558 5.227 1.00 0.00 C ATOM 592 C TRP A 44 -0.700 0.488 5.695 1.00 0.00 C ATOM 593 O TRP A 44 -0.971 0.334 6.886 1.00 0.00 O ATOM 594 CB TRP A 44 1.187 -0.800 4.676 1.00 0.00 C ATOM 595 CG TRP A 44 2.545 -0.775 4.043 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.745 -0.944 4.671 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.840 -0.566 2.657 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.770 -0.853 3.760 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.241 -0.622 2.517 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.059 -0.338 1.522 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.873 -0.458 1.288 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.687 -0.176 0.302 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.083 -0.237 0.192 1.00 0.00 C ATOM 0 H TRP A 44 2.192 0.216 6.710 1.00 0.00 H new ATOM 0 HA TRP A 44 0.819 1.303 4.435 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.185 -1.530 5.485 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.457 -1.138 3.940 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.871 -1.123 5.729 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.763 -0.943 3.974 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.983 -0.289 1.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.949 -0.503 1.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.092 0.001 -0.582 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.544 -0.107 -0.776 1.00 0.00 H new ATOM 614 N TYR A 45 -1.628 0.602 4.751 1.00 0.00 N ATOM 615 CA TYR A 45 -3.050 0.554 5.067 1.00 0.00 C ATOM 616 C TYR A 45 -3.845 -0.051 3.914 1.00 0.00 C ATOM 617 O TYR A 45 -3.913 0.518 2.824 1.00 0.00 O ATOM 618 CB TYR A 45 -3.573 1.957 5.380 1.00 0.00 C ATOM 619 CG TYR A 45 -3.079 2.507 6.699 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.667 2.123 7.898 1.00 0.00 C ATOM 621 CD2 TYR A 45 -2.026 3.412 6.747 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.220 2.623 9.105 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.571 3.916 7.950 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.172 3.519 9.126 1.00 0.00 C ATOM 625 OH TYR A 45 -1.723 4.020 10.327 1.00 0.00 O ATOM 0 H TYR A 45 -1.420 0.728 3.760 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.179 -0.079 5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.275 2.634 4.579 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.663 1.936 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.488 1.421 7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.555 3.727 5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.689 2.314 10.028 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.749 4.617 7.969 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.979 4.637 10.166 1.00 0.00 H new ATOM 635 N LYS A 46 -4.446 -1.210 4.162 1.00 0.00 N ATOM 636 CA LYS A 46 -5.238 -1.895 3.148 1.00 0.00 C ATOM 637 C LYS A 46 -6.725 -1.618 3.341 1.00 0.00 C ATOM 638 O LYS A 46 -7.292 -1.921 4.391 1.00 0.00 O ATOM 639 CB LYS A 46 -4.978 -3.402 3.199 1.00 0.00 C ATOM 640 CG LYS A 46 -5.307 -4.120 1.902 1.00 0.00 C ATOM 641 CD LYS A 46 -5.295 -5.629 2.082 1.00 0.00 C ATOM 642 CE LYS A 46 -5.959 -6.335 0.909 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.439 -6.396 1.065 1.00 0.00 N ATOM 0 H LYS A 46 -4.399 -1.695 5.058 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.939 -1.515 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.930 -3.573 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.569 -3.837 4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.288 -3.803 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.585 -3.838 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.267 -5.976 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.812 -5.891 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.712 -5.813 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.561 -7.346 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.774 -7.352 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.694 -6.174 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.884 -5.705 0.428 1.00 0.00 H new ATOM 657 N ASP A 47 -7.353 -1.042 2.321 1.00 0.00 N ATOM 658 CA ASP A 47 -8.775 -0.727 2.378 1.00 0.00 C ATOM 659 C ASP A 47 -9.113 0.032 3.657 1.00 0.00 C ATOM 660 O ASP A 47 -10.103 -0.266 4.325 1.00 0.00 O ATOM 661 CB ASP A 47 -9.607 -2.008 2.295 1.00 0.00 C ATOM 662 CG ASP A 47 -9.843 -2.454 0.866 1.00 0.00 C ATOM 663 OD1 ASP A 47 -10.524 -1.720 0.119 1.00 0.00 O ATOM 664 OD2 ASP A 47 -9.346 -3.537 0.493 1.00 0.00 O ATOM 0 H ASP A 47 -6.899 -0.784 1.445 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.015 -0.091 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.100 -2.803 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.567 -1.847 2.785 1.00 0.00 H new ATOM 669 N GLY A 48 -8.282 1.014 3.994 1.00 0.00 N ATOM 670 CA GLY A 48 -8.509 1.799 5.193 1.00 0.00 C ATOM 671 C GLY A 48 -8.413 0.968 6.457 1.00 0.00 C ATOM 672 O GLY A 48 -9.198 1.147 7.388 1.00 0.00 O ATOM 0 H GLY A 48 -7.456 1.280 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.780 2.608 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.495 2.261 5.140 1.00 0.00 H new ATOM 676 N LYS A 49 -7.448 0.056 6.491 1.00 0.00 N ATOM 677 CA LYS A 49 -7.250 -0.807 7.650 1.00 0.00 C ATOM 678 C LYS A 49 -5.766 -0.960 7.968 1.00 0.00 C ATOM 679 O LYS A 49 -4.981 -1.391 7.123 1.00 0.00 O ATOM 680 CB LYS A 49 -7.874 -2.182 7.400 1.00 0.00 C ATOM 681 CG LYS A 49 -9.370 -2.135 7.146 1.00 0.00 C ATOM 682 CD LYS A 49 -10.158 -2.180 8.445 1.00 0.00 C ATOM 683 CE LYS A 49 -11.635 -1.904 8.211 1.00 0.00 C ATOM 684 NZ LYS A 49 -11.947 -0.450 8.293 1.00 0.00 N ATOM 0 H LYS A 49 -6.790 -0.105 5.729 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.740 -0.342 8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.383 -2.644 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.680 -2.821 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.619 -1.225 6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.659 -2.975 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.039 -3.159 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.755 -1.445 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.924 -2.283 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.227 -2.445 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.741 -0.229 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.205 -0.205 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.112 0.101 8.007 1.00 0.00 H new ATOM 698 N LYS A 50 -5.388 -0.605 9.191 1.00 0.00 N ATOM 699 CA LYS A 50 -3.999 -0.706 9.622 1.00 0.00 C ATOM 700 C LYS A 50 -3.441 -2.097 9.340 1.00 0.00 C ATOM 701 O LYS A 50 -3.938 -3.095 9.862 1.00 0.00 O ATOM 702 CB LYS A 50 -3.883 -0.392 11.116 1.00 0.00 C ATOM 703 CG LYS A 50 -2.450 -0.322 11.613 1.00 0.00 C ATOM 704 CD LYS A 50 -2.367 0.328 12.985 1.00 0.00 C ATOM 705 CE LYS A 50 -0.926 0.453 13.456 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.341 -0.870 13.807 1.00 0.00 N ATOM 0 H LYS A 50 -6.025 -0.245 9.902 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.416 0.021 9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.376 0.559 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.418 -1.155 11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.030 -1.327 11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.845 0.244 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.826 1.316 12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.936 -0.262 13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.327 0.919 12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.883 1.111 14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.630 -0.739 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.917 -1.319 14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.327 -1.478 12.963 1.00 0.00 H new ATOM 720 N LEU A 51 -2.404 -2.155 8.511 1.00 0.00 N ATOM 721 CA LEU A 51 -1.776 -3.424 8.160 1.00 0.00 C ATOM 722 C LEU A 51 -0.685 -3.788 9.162 1.00 0.00 C ATOM 723 O LEU A 51 0.118 -2.942 9.555 1.00 0.00 O ATOM 724 CB LEU A 51 -1.186 -3.351 6.750 1.00 0.00 C ATOM 725 CG LEU A 51 -2.178 -3.515 5.598 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.559 -3.047 4.290 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.632 -4.963 5.487 1.00 0.00 C ATOM 0 H LEU A 51 -1.981 -1.339 8.070 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.542 -4.199 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.684 -2.390 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.422 -4.122 6.657 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.051 -2.896 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.279 -3.171 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.285 -1.995 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.669 -3.639 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.338 -5.061 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.768 -5.602 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.116 -5.265 6.416 1.00 0.00 H new ATOM 739 N SER A 52 -0.661 -5.053 9.570 1.00 0.00 N ATOM 740 CA SER A 52 0.330 -5.528 10.528 1.00 0.00 C ATOM 741 C SER A 52 1.164 -6.658 9.931 1.00 0.00 C ATOM 742 O SER A 52 0.673 -7.771 9.737 1.00 0.00 O ATOM 743 CB SER A 52 -0.355 -6.007 11.809 1.00 0.00 C ATOM 744 OG SER A 52 0.577 -6.604 12.694 1.00 0.00 O ATOM 0 H SER A 52 -1.316 -5.767 9.252 1.00 0.00 H new ATOM 0 HA SER A 52 0.993 -4.697 10.769 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.841 -5.165 12.302 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.136 -6.725 11.560 1.00 0.00 H new ATOM 0 HG SER A 52 0.114 -6.900 13.505 1.00 0.00 H new ATOM 750 N SER A 53 2.427 -6.364 9.641 1.00 0.00 N ATOM 751 CA SER A 53 3.329 -7.353 9.063 1.00 0.00 C ATOM 752 C SER A 53 3.097 -8.728 9.682 1.00 0.00 C ATOM 753 O SER A 53 3.615 -9.032 10.757 1.00 0.00 O ATOM 754 CB SER A 53 4.785 -6.928 9.267 1.00 0.00 C ATOM 755 OG SER A 53 5.028 -6.576 10.618 1.00 0.00 O ATOM 0 H SER A 53 2.849 -5.449 9.797 1.00 0.00 H new ATOM 0 HA SER A 53 3.123 -7.416 7.995 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.449 -7.741 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.014 -6.081 8.620 1.00 0.00 H new ATOM 0 HG SER A 53 4.662 -7.268 11.207 1.00 0.00 H new ATOM 761 N SER A 54 2.315 -9.555 8.996 1.00 0.00 N ATOM 762 CA SER A 54 2.010 -10.897 9.480 1.00 0.00 C ATOM 763 C SER A 54 2.789 -11.947 8.694 1.00 0.00 C ATOM 764 O SER A 54 3.430 -11.638 7.689 1.00 0.00 O ATOM 765 CB SER A 54 0.509 -11.172 9.372 1.00 0.00 C ATOM 766 OG SER A 54 -0.056 -10.493 8.264 1.00 0.00 O ATOM 0 H SER A 54 1.881 -9.320 8.103 1.00 0.00 H new ATOM 0 HA SER A 54 2.308 -10.956 10.527 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.339 -12.244 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.011 -10.856 10.289 1.00 0.00 H new ATOM 0 HG SER A 54 -1.016 -10.686 8.216 1.00 0.00 H new ATOM 772 N SER A 55 2.728 -13.191 9.159 1.00 0.00 N ATOM 773 CA SER A 55 3.430 -14.288 8.503 1.00 0.00 C ATOM 774 C SER A 55 3.211 -14.247 6.994 1.00 0.00 C ATOM 775 O SER A 55 4.006 -14.787 6.225 1.00 0.00 O ATOM 776 CB SER A 55 2.958 -15.631 9.063 1.00 0.00 C ATOM 777 OG SER A 55 3.285 -15.754 10.436 1.00 0.00 O ATOM 0 H SER A 55 2.200 -13.464 9.988 1.00 0.00 H new ATOM 0 HA SER A 55 4.496 -14.175 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.880 -15.724 8.933 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.418 -16.444 8.502 1.00 0.00 H new ATOM 0 HG SER A 55 2.971 -16.620 10.771 1.00 0.00 H new ATOM 783 N LYS A 56 2.126 -13.603 6.577 1.00 0.00 N ATOM 784 CA LYS A 56 1.801 -13.490 5.160 1.00 0.00 C ATOM 785 C LYS A 56 2.401 -12.221 4.564 1.00 0.00 C ATOM 786 O LYS A 56 3.015 -12.255 3.497 1.00 0.00 O ATOM 787 CB LYS A 56 0.283 -13.490 4.963 1.00 0.00 C ATOM 788 CG LYS A 56 -0.331 -14.879 4.966 1.00 0.00 C ATOM 789 CD LYS A 56 -0.290 -15.509 3.583 1.00 0.00 C ATOM 790 CE LYS A 56 -1.490 -15.095 2.746 1.00 0.00 C ATOM 791 NZ LYS A 56 -2.697 -15.905 3.069 1.00 0.00 N ATOM 0 H LYS A 56 1.457 -13.151 7.200 1.00 0.00 H new ATOM 0 HA LYS A 56 2.229 -14.350 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.177 -12.897 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.048 -13.000 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.205 -15.513 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.364 -14.821 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.628 -15.214 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.268 -16.595 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.705 -14.040 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.251 -15.206 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.493 -15.592 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.501 -16.909 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.941 -15.780 4.072 1.00 0.00 H new ATOM 805 N VAL A 57 2.222 -11.103 5.260 1.00 0.00 N ATOM 806 CA VAL A 57 2.748 -9.823 4.800 1.00 0.00 C ATOM 807 C VAL A 57 3.916 -9.366 5.667 1.00 0.00 C ATOM 808 O VAL A 57 3.836 -9.388 6.895 1.00 0.00 O ATOM 809 CB VAL A 57 1.660 -8.733 4.807 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.179 -7.457 4.162 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.407 -9.227 4.099 1.00 0.00 C ATOM 0 H VAL A 57 1.717 -11.058 6.145 1.00 0.00 H new ATOM 0 HA VAL A 57 3.095 -9.972 3.777 1.00 0.00 H new ATOM 0 HB VAL A 57 1.400 -8.509 5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.397 -6.698 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.045 -7.095 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.468 -7.662 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.351 -8.444 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.648 -9.480 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.025 -10.111 4.609 1.00 0.00 H new ATOM 821 N ARG A 58 5.000 -8.952 5.020 1.00 0.00 N ATOM 822 CA ARG A 58 6.185 -8.490 5.732 1.00 0.00 C ATOM 823 C ARG A 58 6.569 -7.080 5.291 1.00 0.00 C ATOM 824 O ARG A 58 6.686 -6.802 4.097 1.00 0.00 O ATOM 825 CB ARG A 58 7.355 -9.446 5.494 1.00 0.00 C ATOM 826 CG ARG A 58 8.691 -8.907 5.978 1.00 0.00 C ATOM 827 CD ARG A 58 9.786 -9.958 5.876 1.00 0.00 C ATOM 828 NE ARG A 58 10.986 -9.572 6.613 1.00 0.00 N ATOM 829 CZ ARG A 58 11.050 -9.521 7.938 1.00 0.00 C ATOM 830 NH1 ARG A 58 9.988 -9.831 8.669 1.00 0.00 N ATOM 831 NH2 ARG A 58 12.178 -9.160 8.536 1.00 0.00 N ATOM 0 H ARG A 58 5.082 -8.927 4.004 1.00 0.00 H new ATOM 0 HA ARG A 58 5.953 -8.469 6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.150 -10.390 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.425 -9.663 4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.968 -8.033 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.598 -8.576 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.414 -10.907 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.040 -10.116 4.828 1.00 0.00 H new ATOM 0 HE ARG A 58 11.821 -9.328 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.119 -10.110 8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.040 -9.791 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.997 -8.921 7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.226 -9.121 9.554 1.00 0.00 H new ATOM 845 N VAL A 59 6.764 -6.194 6.263 1.00 0.00 N ATOM 846 CA VAL A 59 7.135 -4.814 5.975 1.00 0.00 C ATOM 847 C VAL A 59 8.647 -4.626 6.042 1.00 0.00 C ATOM 848 O VAL A 59 9.223 -4.534 7.125 1.00 0.00 O ATOM 849 CB VAL A 59 6.464 -3.836 6.958 1.00 0.00 C ATOM 850 CG1 VAL A 59 7.029 -2.434 6.787 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.955 -3.839 6.764 1.00 0.00 C ATOM 0 H VAL A 59 6.671 -6.408 7.256 1.00 0.00 H new ATOM 0 HA VAL A 59 6.789 -4.597 4.964 1.00 0.00 H new ATOM 0 HB VAL A 59 6.678 -4.166 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.543 -1.758 7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.102 -2.448 6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.848 -2.090 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.496 -3.143 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.719 -3.534 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.567 -4.842 6.942 1.00 0.00 H new ATOM 861 N GLU A 60 9.282 -4.570 4.876 1.00 0.00 N ATOM 862 CA GLU A 60 10.728 -4.393 4.802 1.00 0.00 C ATOM 863 C GLU A 60 11.092 -2.913 4.735 1.00 0.00 C ATOM 864 O GLU A 60 10.284 -2.082 4.323 1.00 0.00 O ATOM 865 CB GLU A 60 11.292 -5.124 3.582 1.00 0.00 C ATOM 866 CG GLU A 60 11.262 -6.638 3.712 1.00 0.00 C ATOM 867 CD GLU A 60 9.967 -7.241 3.206 1.00 0.00 C ATOM 868 OE1 GLU A 60 9.123 -6.482 2.685 1.00 0.00 O ATOM 869 OE2 GLU A 60 9.796 -8.472 3.331 1.00 0.00 O ATOM 0 H GLU A 60 8.819 -4.645 3.970 1.00 0.00 H new ATOM 0 HA GLU A 60 11.167 -4.817 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.723 -4.832 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.321 -4.802 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.098 -7.063 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.402 -6.912 4.758 1.00 0.00 H new ATOM 876 N ALA A 61 12.315 -2.591 5.145 1.00 0.00 N ATOM 877 CA ALA A 61 12.788 -1.213 5.130 1.00 0.00 C ATOM 878 C ALA A 61 14.291 -1.150 4.883 1.00 0.00 C ATOM 879 O ALA A 61 15.089 -1.488 5.758 1.00 0.00 O ATOM 880 CB ALA A 61 12.437 -0.521 6.439 1.00 0.00 C ATOM 0 H ALA A 61 12.996 -3.267 5.492 1.00 0.00 H new ATOM 0 HA ALA A 61 12.290 -0.693 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.796 0.508 6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.355 -0.525 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.908 -1.050 7.268 1.00 0.00 H new ATOM 886 N VAL A 62 14.672 -0.718 3.685 1.00 0.00 N ATOM 887 CA VAL A 62 16.080 -0.611 3.323 1.00 0.00 C ATOM 888 C VAL A 62 16.446 0.822 2.953 1.00 0.00 C ATOM 889 O VAL A 62 15.620 1.729 3.049 1.00 0.00 O ATOM 890 CB VAL A 62 16.428 -1.538 2.144 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.549 -2.980 2.615 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.386 -1.414 1.043 1.00 0.00 C ATOM 0 H VAL A 62 14.025 -0.436 2.949 1.00 0.00 H new ATOM 0 HA VAL A 62 16.655 -0.915 4.198 1.00 0.00 H new ATOM 0 HB VAL A 62 17.392 -1.232 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.795 -3.620 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.336 -3.053 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.602 -3.301 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.648 -2.076 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.408 -1.692 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.354 -0.385 0.686 1.00 0.00 H new ATOM 902 N GLY A 63 17.690 1.019 2.529 1.00 0.00 N ATOM 903 CA GLY A 63 18.143 2.345 2.150 1.00 0.00 C ATOM 904 C GLY A 63 17.053 3.163 1.486 1.00 0.00 C ATOM 905 O GLY A 63 16.717 2.933 0.324 1.00 0.00 O ATOM 0 H GLY A 63 18.392 0.285 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.499 2.871 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.991 2.255 1.471 1.00 0.00 H new ATOM 909 N CYS A 64 16.500 4.118 2.225 1.00 0.00 N ATOM 910 CA CYS A 64 15.439 4.971 1.701 1.00 0.00 C ATOM 911 C CYS A 64 14.542 4.197 0.742 1.00 0.00 C ATOM 912 O CYS A 64 14.243 4.661 -0.359 1.00 0.00 O ATOM 913 CB CYS A 64 16.038 6.186 0.990 1.00 0.00 C ATOM 914 SG CYS A 64 16.919 7.322 2.086 1.00 0.00 S ATOM 0 H CYS A 64 16.768 4.321 3.188 1.00 0.00 H new ATOM 0 HA CYS A 64 14.833 5.312 2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.723 5.840 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 64 15.238 6.730 0.487 1.00 0.00 H new ATOM 0 HG CYS A 64 17.391 8.315 1.393 1.00 0.00 H new ATOM 920 N THR A 65 14.114 3.011 1.166 1.00 0.00 N ATOM 921 CA THR A 65 13.253 2.170 0.344 1.00 0.00 C ATOM 922 C THR A 65 12.363 1.285 1.209 1.00 0.00 C ATOM 923 O THR A 65 12.850 0.547 2.065 1.00 0.00 O ATOM 924 CB THR A 65 14.078 1.280 -0.604 1.00 0.00 C ATOM 925 OG1 THR A 65 14.563 2.055 -1.706 1.00 0.00 O ATOM 926 CG2 THR A 65 13.240 0.121 -1.123 1.00 0.00 C ATOM 0 H THR A 65 14.350 2.612 2.074 1.00 0.00 H new ATOM 0 HA THR A 65 12.629 2.839 -0.249 1.00 0.00 H new ATOM 0 HB THR A 65 14.922 0.876 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.469 3.009 -1.502 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.843 -0.494 -1.791 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.896 -0.484 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.379 0.509 -1.667 1.00 0.00 H new ATOM 934 N ARG A 66 11.057 1.362 0.978 1.00 0.00 N ATOM 935 CA ARG A 66 10.098 0.568 1.736 1.00 0.00 C ATOM 936 C ARG A 66 9.315 -0.364 0.815 1.00 0.00 C ATOM 937 O ARG A 66 8.555 0.089 -0.041 1.00 0.00 O ATOM 938 CB ARG A 66 9.134 1.481 2.496 1.00 0.00 C ATOM 939 CG ARG A 66 9.831 2.517 3.362 1.00 0.00 C ATOM 940 CD ARG A 66 10.463 1.882 4.591 1.00 0.00 C ATOM 941 NE ARG A 66 11.083 2.875 5.463 1.00 0.00 N ATOM 942 CZ ARG A 66 12.318 3.335 5.293 1.00 0.00 C ATOM 943 NH1 ARG A 66 13.060 2.892 4.288 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.812 4.239 6.129 1.00 0.00 N ATOM 0 H ARG A 66 10.638 1.967 0.271 1.00 0.00 H new ATOM 0 HA ARG A 66 10.652 -0.039 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.490 1.992 1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.488 0.869 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.599 3.024 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.113 3.276 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.702 1.335 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.213 1.156 4.278 1.00 0.00 H new ATOM 0 HE ARG A 66 10.538 3.236 6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.683 2.197 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.008 3.246 4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.244 4.582 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.760 4.591 5.997 1.00 0.00 H new ATOM 958 N ARG A 67 9.506 -1.666 0.998 1.00 0.00 N ATOM 959 CA ARG A 67 8.819 -2.661 0.183 1.00 0.00 C ATOM 960 C ARG A 67 7.931 -3.552 1.046 1.00 0.00 C ATOM 961 O ARG A 67 8.292 -3.905 2.170 1.00 0.00 O ATOM 962 CB ARG A 67 9.833 -3.517 -0.577 1.00 0.00 C ATOM 963 CG ARG A 67 10.768 -4.301 0.328 1.00 0.00 C ATOM 964 CD ARG A 67 11.949 -4.868 -0.446 1.00 0.00 C ATOM 965 NE ARG A 67 11.521 -5.625 -1.619 1.00 0.00 N ATOM 966 CZ ARG A 67 12.291 -6.508 -2.244 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.521 -6.745 -1.810 1.00 0.00 N ATOM 968 NH2 ARG A 67 11.830 -7.158 -3.306 1.00 0.00 N ATOM 0 H ARG A 67 10.131 -2.057 1.703 1.00 0.00 H new ATOM 0 HA ARG A 67 8.189 -2.134 -0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.297 -4.213 -1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.425 -2.873 -1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.132 -3.653 1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.219 -5.114 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.602 -4.053 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.535 -5.514 0.208 1.00 0.00 H new ATOM 0 HE ARG A 67 10.579 -5.467 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.878 -6.248 -0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.110 -7.424 -2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.884 -6.979 -3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.422 -7.836 -3.786 1.00 0.00 H new ATOM 982 N LEU A 68 6.768 -3.911 0.515 1.00 0.00 N ATOM 983 CA LEU A 68 5.827 -4.761 1.237 1.00 0.00 C ATOM 984 C LEU A 68 5.632 -6.092 0.517 1.00 0.00 C ATOM 985 O LEU A 68 4.906 -6.173 -0.473 1.00 0.00 O ATOM 986 CB LEU A 68 4.481 -4.050 1.391 1.00 0.00 C ATOM 987 CG LEU A 68 3.482 -4.704 2.346 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.667 -4.172 3.759 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.056 -4.470 1.869 1.00 0.00 C ATOM 0 H LEU A 68 6.453 -3.627 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 68 6.241 -4.961 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.668 -3.032 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.017 -3.976 0.407 1.00 0.00 H new ATOM 0 HG LEU A 68 3.669 -5.778 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.947 -4.649 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.678 -4.392 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.508 -3.094 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.359 -4.943 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.857 -3.399 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.929 -4.901 0.876 1.00 0.00 H new ATOM 1001 N VAL A 69 6.284 -7.134 1.024 1.00 0.00 N ATOM 1002 CA VAL A 69 6.180 -8.462 0.431 1.00 0.00 C ATOM 1003 C VAL A 69 4.919 -9.177 0.903 1.00 0.00 C ATOM 1004 O VAL A 69 4.701 -9.347 2.103 1.00 0.00 O ATOM 1005 CB VAL A 69 7.407 -9.327 0.775 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.281 -10.707 0.148 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.687 -8.642 0.321 1.00 0.00 C ATOM 0 H VAL A 69 6.889 -7.084 1.843 1.00 0.00 H new ATOM 0 HA VAL A 69 6.133 -8.324 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 69 7.451 -9.448 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.157 -11.303 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.385 -11.198 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.210 -10.609 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.543 -9.268 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.654 -8.488 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.782 -7.679 0.822 1.00 0.00 H new ATOM 1017 N VAL A 70 4.091 -9.595 -0.049 1.00 0.00 N ATOM 1018 CA VAL A 70 2.852 -10.294 0.268 1.00 0.00 C ATOM 1019 C VAL A 70 2.898 -11.740 -0.211 1.00 0.00 C ATOM 1020 O VAL A 70 2.628 -12.026 -1.377 1.00 0.00 O ATOM 1021 CB VAL A 70 1.635 -9.594 -0.365 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.411 -10.495 -0.307 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.364 -8.267 0.329 1.00 0.00 C ATOM 0 H VAL A 70 4.256 -9.461 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 70 2.748 -10.277 1.353 1.00 0.00 H new ATOM 0 HB VAL A 70 1.858 -9.392 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.439 -9.984 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.612 -11.417 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.182 -10.731 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.501 -7.786 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.161 -8.444 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.236 -7.620 0.230 1.00 0.00 H new ATOM 1033 N GLN A 71 3.241 -12.648 0.697 1.00 0.00 N ATOM 1034 CA GLN A 71 3.323 -14.066 0.366 1.00 0.00 C ATOM 1035 C GLN A 71 1.944 -14.629 0.037 1.00 0.00 C ATOM 1036 O GLN A 71 0.934 -14.172 0.573 1.00 0.00 O ATOM 1037 CB GLN A 71 3.943 -14.847 1.526 1.00 0.00 C ATOM 1038 CG GLN A 71 5.377 -14.447 1.831 1.00 0.00 C ATOM 1039 CD GLN A 71 6.377 -15.103 0.900 1.00 0.00 C ATOM 1040 OE1 GLN A 71 6.026 -15.982 0.113 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.633 -14.678 0.985 1.00 0.00 N ATOM 0 H GLN A 71 3.466 -12.427 1.667 1.00 0.00 H new ATOM 0 HA GLN A 71 3.958 -14.172 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.336 -14.699 2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.913 -15.911 1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.472 -13.364 1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.614 -14.716 2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.880 -13.947 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.350 -15.083 0.383 1.00 0.00 H new ATOM 1050 N GLN A 72 1.910 -15.621 -0.846 1.00 0.00 N ATOM 1051 CA GLN A 72 0.654 -16.245 -1.246 1.00 0.00 C ATOM 1052 C GLN A 72 -0.397 -15.190 -1.575 1.00 0.00 C ATOM 1053 O GLN A 72 -1.514 -15.231 -1.060 1.00 0.00 O ATOM 1054 CB GLN A 72 0.141 -17.164 -0.136 1.00 0.00 C ATOM 1055 CG GLN A 72 0.812 -18.528 -0.118 1.00 0.00 C ATOM 1056 CD GLN A 72 0.363 -19.384 1.051 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.644 -20.087 0.969 1.00 0.00 O ATOM 1058 NE2 GLN A 72 1.110 -19.328 2.147 1.00 0.00 N ATOM 0 H GLN A 72 2.737 -16.010 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 72 0.840 -16.838 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.297 -16.679 0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.934 -17.299 -0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.593 -19.049 -1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.893 -18.396 -0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.937 -18.731 2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.857 -19.882 2.965 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.031 -14.246 -2.436 1.00 0.00 N ATOM 1068 CA ALA A 73 -0.943 -13.181 -2.835 1.00 0.00 C ATOM 1069 C ALA A 73 -2.235 -13.751 -3.409 1.00 0.00 C ATOM 1070 O ALA A 73 -2.270 -14.208 -4.551 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.272 -12.264 -3.847 1.00 0.00 C ATOM 0 H ALA A 73 0.891 -14.197 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.196 -12.601 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.964 -11.473 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.619 -11.821 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.010 -12.840 -4.729 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.296 -13.723 -2.609 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.576 -14.241 -3.055 1.00 0.00 C ATOM 1079 C GLY A 74 -5.643 -13.166 -3.129 1.00 0.00 C ATOM 1080 O GLY A 74 -5.437 -12.046 -2.664 1.00 0.00 O ATOM 0 H GLY A 74 -3.292 -13.351 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.457 -14.699 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.903 -15.027 -2.375 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.784 -13.508 -3.718 1.00 0.00 N ATOM 1085 CA GLN A 75 -7.886 -12.562 -3.854 1.00 0.00 C ATOM 1086 C GLN A 75 -7.997 -11.675 -2.618 1.00 0.00 C ATOM 1087 O GLN A 75 -8.079 -10.452 -2.726 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.202 -13.308 -4.080 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.343 -13.881 -5.482 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.334 -12.809 -6.553 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.354 -12.171 -6.818 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.180 -12.605 -7.177 1.00 0.00 N ATOM 0 H GLN A 75 -6.970 -14.432 -4.108 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.683 -11.928 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.280 -14.119 -3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.033 -12.629 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.529 -14.582 -5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.272 -14.447 -5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.360 -13.157 -6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.114 -11.897 -7.908 1.00 0.00 H new ATOM 1101 N ALA A 76 -7.999 -12.300 -1.446 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.099 -11.567 -0.189 1.00 0.00 C ATOM 1103 C ALA A 76 -7.043 -10.470 -0.109 1.00 0.00 C ATOM 1104 O ALA A 76 -7.362 -9.306 0.131 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.964 -12.519 0.989 1.00 0.00 C ATOM 0 H ALA A 76 -7.933 -13.312 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.080 -11.094 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.041 -11.958 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.759 -13.264 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.996 -13.018 0.944 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.785 -10.849 -0.311 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.682 -9.896 -0.260 1.00 0.00 C ATOM 1113 C GLU A 77 -4.825 -8.840 -1.352 1.00 0.00 C ATOM 1114 O GLU A 77 -4.352 -7.714 -1.206 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.344 -10.623 -0.409 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.913 -11.368 0.844 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.022 -10.518 2.095 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -2.221 -9.571 2.241 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.909 -10.801 2.927 1.00 0.00 O ATOM 0 H GLU A 77 -5.504 -11.809 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.710 -9.397 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.414 -11.330 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.574 -9.898 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.528 -12.260 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.883 -11.704 0.726 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.479 -9.214 -2.446 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.685 -8.299 -3.563 1.00 0.00 C ATOM 1128 C ALA A 78 -6.553 -7.116 -3.150 1.00 0.00 C ATOM 1129 O ALA A 78 -7.680 -7.291 -2.689 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.315 -9.034 -4.737 1.00 0.00 C ATOM 0 H ALA A 78 -5.875 -10.144 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.713 -7.913 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.463 -8.339 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.657 -9.842 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.277 -9.448 -4.434 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.019 -5.909 -3.317 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.759 -4.714 -2.955 1.00 0.00 C ATOM 1138 C GLY A 79 -5.961 -3.446 -3.186 1.00 0.00 C ATOM 1139 O GLY A 79 -5.103 -3.398 -4.067 1.00 0.00 O ATOM 0 H GLY A 79 -5.088 -5.738 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.680 -4.671 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.047 -4.772 -1.905 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.245 -2.418 -2.393 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.548 -1.143 -2.518 1.00 0.00 C ATOM 1145 C GLU A 80 -4.735 -0.842 -1.262 1.00 0.00 C ATOM 1146 O GLU A 80 -5.290 -0.500 -0.217 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.547 -0.013 -2.774 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.886 0.178 -4.243 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.733 1.411 -4.491 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.530 2.421 -3.784 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -8.597 1.367 -5.391 1.00 0.00 O ATOM 0 H GLU A 80 -6.952 -2.443 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.865 -1.213 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.464 -0.218 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.139 0.918 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.963 0.254 -4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.417 -0.702 -4.607 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.418 -0.973 -1.372 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.528 -0.719 -0.245 1.00 0.00 C ATOM 1160 C TYR A 81 -2.023 0.721 -0.263 1.00 0.00 C ATOM 1161 O TYR A 81 -1.597 1.228 -1.301 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.343 -1.686 -0.275 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.731 -3.126 -0.023 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.498 -3.830 -0.944 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.331 -3.782 1.134 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.855 -5.146 -0.718 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.682 -5.097 1.368 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.444 -5.775 0.439 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.797 -7.085 0.668 1.00 0.00 O ATOM 0 H TYR A 81 -2.943 -1.254 -2.230 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.094 -0.876 0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.851 -1.615 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.614 -1.378 0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.820 -3.341 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.735 -3.254 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.452 -5.679 -1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.362 -5.592 2.273 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.983 -7.528 -0.186 1.00 0.00 H new ATOM 1179 N SER A 82 -2.075 1.374 0.893 1.00 0.00 N ATOM 1180 CA SER A 82 -1.626 2.756 1.011 1.00 0.00 C ATOM 1181 C SER A 82 -0.454 2.866 1.981 1.00 0.00 C ATOM 1182 O SER A 82 -0.549 2.453 3.137 1.00 0.00 O ATOM 1183 CB SER A 82 -2.777 3.649 1.481 1.00 0.00 C ATOM 1184 OG SER A 82 -3.838 3.650 0.541 1.00 0.00 O ATOM 0 H SER A 82 -2.424 0.968 1.761 1.00 0.00 H new ATOM 0 HA SER A 82 -1.294 3.089 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.142 3.299 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.415 4.667 1.627 1.00 0.00 H new ATOM 0 HG SER A 82 -4.562 4.226 0.865 1.00 0.00 H new ATOM 1190 N CYS A 83 0.652 3.426 1.501 1.00 0.00 N ATOM 1191 CA CYS A 83 1.844 3.590 2.325 1.00 0.00 C ATOM 1192 C CYS A 83 1.862 4.963 2.989 1.00 0.00 C ATOM 1193 O CYS A 83 2.271 5.952 2.381 1.00 0.00 O ATOM 1194 CB CYS A 83 3.104 3.405 1.477 1.00 0.00 C ATOM 1195 SG CYS A 83 4.630 3.915 2.301 1.00 0.00 S ATOM 0 H CYS A 83 0.747 3.773 0.547 1.00 0.00 H new ATOM 0 HA CYS A 83 1.824 2.829 3.105 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.189 2.355 1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.994 3.974 0.554 1.00 0.00 H new ATOM 0 HG CYS A 83 5.652 3.565 1.577 1.00 0.00 H new ATOM 1201 N GLU A 84 1.413 5.016 4.239 1.00 0.00 N ATOM 1202 CA GLU A 84 1.375 6.268 4.985 1.00 0.00 C ATOM 1203 C GLU A 84 2.730 6.563 5.622 1.00 0.00 C ATOM 1204 O GLU A 84 3.532 5.658 5.847 1.00 0.00 O ATOM 1205 CB GLU A 84 0.292 6.213 6.064 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.319 7.567 6.384 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.137 7.551 7.660 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.535 7.634 8.751 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -2.378 7.455 7.569 1.00 0.00 O ATOM 0 H GLU A 84 1.071 4.206 4.756 1.00 0.00 H new ATOM 0 HA GLU A 84 1.139 7.070 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.498 5.535 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.719 5.792 6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.476 8.307 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.953 7.881 5.554 1.00 0.00 H new ATOM 1216 N ALA A 85 2.977 7.837 5.911 1.00 0.00 N ATOM 1217 CA ALA A 85 4.232 8.252 6.523 1.00 0.00 C ATOM 1218 C ALA A 85 4.210 9.737 6.869 1.00 0.00 C ATOM 1219 O ALA A 85 4.205 10.591 5.983 1.00 0.00 O ATOM 1220 CB ALA A 85 5.400 7.941 5.598 1.00 0.00 C ATOM 0 H ALA A 85 2.324 8.599 5.731 1.00 0.00 H new ATOM 0 HA ALA A 85 4.358 7.692 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.331 8.257 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.436 6.869 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.270 8.475 4.656 1.00 0.00 H new ATOM 1226 N GLY A 86 4.196 10.039 8.164 1.00 0.00 N ATOM 1227 CA GLY A 86 4.174 11.422 8.603 1.00 0.00 C ATOM 1228 C GLY A 86 2.840 12.092 8.340 1.00 0.00 C ATOM 1229 O GLY A 86 1.946 12.065 9.184 1.00 0.00 O ATOM 0 H GLY A 86 4.200 9.351 8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.395 11.465 9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.962 11.975 8.092 1.00 0.00 H new ATOM 1233 N GLY A 87 2.706 12.698 7.164 1.00 0.00 N ATOM 1234 CA GLY A 87 1.469 13.372 6.813 1.00 0.00 C ATOM 1235 C GLY A 87 1.058 13.118 5.376 1.00 0.00 C ATOM 1236 O GLY A 87 0.141 13.759 4.864 1.00 0.00 O ATOM 0 H GLY A 87 3.432 12.734 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.674 13.037 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.586 14.444 6.970 1.00 0.00 H new ATOM 1240 N GLN A 88 1.739 12.180 4.724 1.00 0.00 N ATOM 1241 CA GLN A 88 1.440 11.846 3.337 1.00 0.00 C ATOM 1242 C GLN A 88 1.340 10.335 3.151 1.00 0.00 C ATOM 1243 O GLN A 88 1.754 9.566 4.017 1.00 0.00 O ATOM 1244 CB GLN A 88 2.514 12.416 2.410 1.00 0.00 C ATOM 1245 CG GLN A 88 2.497 13.933 2.320 1.00 0.00 C ATOM 1246 CD GLN A 88 3.061 14.447 1.009 1.00 0.00 C ATOM 1247 OE1 GLN A 88 2.316 14.859 0.119 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.382 14.425 0.884 1.00 0.00 N ATOM 0 H GLN A 88 2.500 11.639 5.134 1.00 0.00 H new ATOM 0 HA GLN A 88 0.478 12.290 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.494 12.092 2.761 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.379 12.000 1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.473 14.288 2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.073 14.349 3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.961 14.075 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.819 14.758 0.024 1.00 0.00 H new ATOM 1257 N GLN A 89 0.789 9.919 2.015 1.00 0.00 N ATOM 1258 CA GLN A 89 0.634 8.500 1.717 1.00 0.00 C ATOM 1259 C GLN A 89 0.449 8.276 0.220 1.00 0.00 C ATOM 1260 O GLN A 89 0.017 9.174 -0.505 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.558 7.923 2.482 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.889 8.545 2.093 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.221 8.345 0.627 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -2.265 7.090 0.196 1.00 0.00 O flip ATOM 1265 NE2 GLN A 89 -2.435 9.308 -0.110 1.00 0.00 N flip ATOM 0 H GLN A 89 0.443 10.544 1.287 1.00 0.00 H new ATOM 0 HA GLN A 89 1.542 7.987 2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.604 6.848 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.398 8.067 3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.681 8.111 2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.865 9.612 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.391 10.256 0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.657 9.158 -1.094 1.00 0.00 H new ATOM 1274 N LEU A 90 0.779 7.074 -0.239 1.00 0.00 N ATOM 1275 CA LEU A 90 0.650 6.731 -1.651 1.00 0.00 C ATOM 1276 C LEU A 90 -0.355 5.600 -1.847 1.00 0.00 C ATOM 1277 O LEU A 90 -0.861 5.031 -0.879 1.00 0.00 O ATOM 1278 CB LEU A 90 2.009 6.325 -2.224 1.00 0.00 C ATOM 1279 CG LEU A 90 3.171 7.277 -1.934 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.486 6.514 -1.886 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.230 8.381 -2.979 1.00 0.00 C ATOM 0 H LEU A 90 1.138 6.320 0.346 1.00 0.00 H new ATOM 0 HA LEU A 90 0.287 7.611 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.266 5.340 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.910 6.223 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 90 3.005 7.736 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.301 7.207 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.441 5.761 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.659 6.027 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.063 9.048 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.372 7.941 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.298 8.946 -2.964 1.00 0.00 H new ATOM 1293 N SER A 91 -0.638 5.278 -3.105 1.00 0.00 N ATOM 1294 CA SER A 91 -1.584 4.216 -3.428 1.00 0.00 C ATOM 1295 C SER A 91 -0.898 3.096 -4.205 1.00 0.00 C ATOM 1296 O SER A 91 -0.091 3.349 -5.100 1.00 0.00 O ATOM 1297 CB SER A 91 -2.752 4.776 -4.242 1.00 0.00 C ATOM 1298 OG SER A 91 -2.990 6.136 -3.925 1.00 0.00 O ATOM 0 H SER A 91 -0.226 5.737 -3.917 1.00 0.00 H new ATOM 0 HA SER A 91 -1.966 3.805 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.537 4.680 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.650 4.191 -4.045 1.00 0.00 H new ATOM 0 HG SER A 91 -2.345 6.700 -4.400 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.225 1.857 -3.855 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.641 0.696 -4.518 1.00 0.00 C ATOM 1306 C PHE A 92 -1.679 -0.409 -4.694 1.00 0.00 C ATOM 1307 O PHE A 92 -2.057 -1.079 -3.734 1.00 0.00 O ATOM 1308 CB PHE A 92 0.550 0.170 -3.714 1.00 0.00 C ATOM 1309 CG PHE A 92 1.784 1.015 -3.849 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.013 2.073 -2.983 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.716 0.751 -4.839 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.147 2.852 -3.105 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.853 1.527 -4.966 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.069 2.578 -4.097 1.00 0.00 C ATOM 0 H PHE A 92 -1.891 1.630 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.296 1.006 -5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.271 0.113 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.777 -0.845 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.297 2.291 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.552 -0.071 -5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.313 3.675 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.571 1.312 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.957 3.185 -4.192 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.135 -0.592 -5.929 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.130 -1.613 -6.232 1.00 0.00 C ATOM 1326 C ARG A 93 -2.468 -2.972 -6.443 1.00 0.00 C ATOM 1327 O ARG A 93 -1.535 -3.103 -7.237 1.00 0.00 O ATOM 1328 CB ARG A 93 -3.928 -1.224 -7.478 1.00 0.00 C ATOM 1329 CG ARG A 93 -4.802 -2.346 -8.016 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.095 -2.473 -7.225 1.00 0.00 C ATOM 1331 NE ARG A 93 -6.682 -3.805 -7.347 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.751 -4.202 -6.665 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -8.347 -3.373 -5.819 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.226 -5.429 -6.831 1.00 0.00 N ATOM 0 H ARG A 93 -1.831 -0.046 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.809 -1.686 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.557 -0.366 -7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.236 -0.908 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.033 -2.158 -9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.254 -3.287 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.900 -2.257 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.809 -1.728 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.248 -4.466 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.985 -2.428 -5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.167 -3.680 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.771 -6.068 -7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.047 -5.733 -6.307 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.954 -3.979 -5.727 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.410 -5.328 -5.835 1.00 0.00 C ATOM 1350 C LEU A 94 -3.418 -6.272 -6.481 1.00 0.00 C ATOM 1351 O LEU A 94 -4.406 -6.660 -5.858 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.015 -5.852 -4.453 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.661 -7.338 -4.375 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.562 -7.677 -5.370 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.237 -7.711 -2.962 1.00 0.00 C ATOM 0 H LEU A 94 -3.724 -3.887 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.523 -5.286 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.160 -5.276 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.837 -5.658 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.547 -7.918 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.323 -8.738 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.902 -7.447 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.328 -7.089 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.989 -8.772 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.364 -7.124 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.054 -7.505 -2.271 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.160 -6.640 -7.732 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.045 -7.541 -8.461 1.00 0.00 C ATOM 1369 C GLN A 95 -3.513 -8.969 -8.431 1.00 0.00 C ATOM 1370 O GLN A 95 -2.319 -9.203 -8.623 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.203 -7.073 -9.909 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.035 -5.809 -10.053 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.330 -5.467 -11.500 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.950 -6.200 -12.414 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -6.011 -4.347 -11.717 1.00 0.00 N ATOM 0 H GLN A 95 -2.346 -6.328 -8.262 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.020 -7.526 -7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.215 -6.898 -10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.665 -7.870 -10.491 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.974 -5.933 -9.514 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.508 -4.976 -9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.306 -3.769 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.238 -4.065 -12.671 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.406 -9.923 -8.188 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.027 -11.330 -8.133 1.00 0.00 C ATOM 1386 C VAL A 96 -4.711 -12.127 -9.238 1.00 0.00 C ATOM 1387 O VAL A 96 -5.932 -12.082 -9.384 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.380 -11.954 -6.770 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.010 -13.429 -6.746 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.686 -11.203 -5.645 1.00 0.00 C ATOM 0 H VAL A 96 -5.398 -9.747 -8.026 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.947 -11.373 -8.274 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.457 -11.872 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.267 -13.853 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.558 -13.954 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.939 -13.538 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.947 -11.657 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.606 -11.251 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.007 -10.161 -5.651 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.916 -12.858 -10.013 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.445 -13.668 -11.103 1.00 0.00 C ATOM 1402 C ALA A 97 -4.940 -15.017 -10.594 1.00 0.00 C ATOM 1403 O ALA A 97 -4.178 -15.792 -10.017 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.386 -13.863 -12.178 1.00 0.00 C ATOM 0 H ALA A 97 -2.903 -12.906 -9.906 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.294 -13.139 -11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.795 -14.470 -12.986 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.083 -12.892 -12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.520 -14.367 -11.749 1.00 0.00 H new