USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 83 ASN : amide:sc= -0.241 K(o=-0.23,f=-3.4!) USER MOD Set 1.2: A 103 THR OG1 : rot -150:sc= 0.0109 USER MOD Set 2.1: A 22 GLN : amide:sc= 1.13 K(o=1,f=-0.24) USER MOD Set 2.2: A 50 ASN : amide:sc= -0.0792 X(o=1,f=0.95) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.456 K(o=-0.46,f=-1) USER MOD Single : A 19 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.2!) USER MOD Single : A 20 MET CE :methyl -175:sc= -0.0788 (180deg=-0.109) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 56:sc= 1.16 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= -0.113 (180deg=-0.735) USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= -1.75! (180deg=-4.09!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 65 SER OG : rot 7:sc= 0.282 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.81) USER MOD Single : A 78 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.2) USER MOD Single : A 84 HIS :FLIP no HE2:sc= 0.393 F(o=-1.7,f=0.39) USER MOD Single : A 85 THR OG1 : rot -7:sc= 0.927 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -4.03! C(o=-4!,f=-3.8!) USER MOD Single : A 94 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.3!) USER MOD Single : A 95 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.73) USER MOD Single : A 101 GLN :FLIP amide:sc= -0.307 F(o=-1.3,f=-0.31) USER MOD Single : A 102 GLN :FLIP amide:sc= -1.07 F(o=-3.4!,f=-1.1) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 32:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 121 N ASP A 12 3.183 -12.253 -13.158 1.00 0.00 N ATOM 122 CA ASP A 12 3.214 -10.881 -13.650 1.00 0.00 C ATOM 123 C ASP A 12 2.788 -9.903 -12.560 1.00 0.00 C ATOM 124 O ASP A 12 2.303 -10.307 -11.503 1.00 0.00 O ATOM 125 CB ASP A 12 2.303 -10.733 -14.870 1.00 0.00 C ATOM 126 CG ASP A 12 2.544 -11.812 -15.907 1.00 0.00 C ATOM 127 OD1 ASP A 12 3.723 -12.130 -16.168 1.00 0.00 O ATOM 128 OD2 ASP A 12 1.554 -12.338 -16.458 1.00 0.00 O ATOM 0 HA ASP A 12 4.238 -10.649 -13.941 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.262 -10.768 -14.549 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.464 -9.755 -15.323 1.00 0.00 H new ATOM 133 N PHE A 13 2.974 -8.613 -12.823 1.00 0.00 N ATOM 134 CA PHE A 13 2.611 -7.577 -11.864 1.00 0.00 C ATOM 135 C PHE A 13 1.298 -7.918 -11.165 1.00 0.00 C ATOM 136 O PHE A 13 1.133 -7.667 -9.972 1.00 0.00 O ATOM 137 CB PHE A 13 2.491 -6.222 -12.565 1.00 0.00 C ATOM 138 CG PHE A 13 1.820 -5.171 -11.728 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.133 -5.031 -10.385 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.874 -4.324 -12.283 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.517 -4.065 -9.612 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.256 -3.356 -11.516 1.00 0.00 C ATOM 143 CZ PHE A 13 0.576 -3.227 -10.178 1.00 0.00 C ATOM 0 H PHE A 13 3.374 -8.261 -13.693 1.00 0.00 H new ATOM 0 HA PHE A 13 3.399 -7.521 -11.113 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.487 -5.875 -12.840 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.931 -6.350 -13.491 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.867 -5.685 -9.937 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.617 -4.422 -13.327 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.771 -3.965 -8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.477 -2.700 -11.962 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.091 -2.473 -9.576 1.00 0.00 H new ATOM 153 N ASN A 14 0.366 -8.493 -11.918 1.00 0.00 N ATOM 154 CA ASN A 14 -0.934 -8.868 -11.373 1.00 0.00 C ATOM 155 C ASN A 14 -0.810 -10.085 -10.461 1.00 0.00 C ATOM 156 O ASN A 14 -1.474 -10.169 -9.428 1.00 0.00 O ATOM 157 CB ASN A 14 -1.919 -9.164 -12.505 1.00 0.00 C ATOM 158 CG ASN A 14 -2.088 -7.987 -13.447 1.00 0.00 C ATOM 159 OD1 ASN A 14 -2.612 -6.942 -13.063 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.645 -8.154 -14.687 1.00 0.00 N ATOM 0 H ASN A 14 0.487 -8.710 -12.907 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.309 -8.031 -10.784 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.571 -10.030 -13.068 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.888 -9.428 -12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.732 -7.398 -15.366 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.217 -9.038 -14.961 1.00 0.00 H new ATOM 167 N SER A 15 0.046 -11.025 -10.850 1.00 0.00 N ATOM 168 CA SER A 15 0.255 -12.239 -10.069 1.00 0.00 C ATOM 169 C SER A 15 0.960 -11.923 -8.753 1.00 0.00 C ATOM 170 O SER A 15 0.523 -12.349 -7.684 1.00 0.00 O ATOM 171 CB SER A 15 1.076 -13.251 -10.870 1.00 0.00 C ATOM 172 OG SER A 15 0.839 -14.573 -10.417 1.00 0.00 O ATOM 0 H SER A 15 0.606 -10.969 -11.701 1.00 0.00 H new ATOM 0 HA SER A 15 -0.721 -12.670 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.822 -13.175 -11.927 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.137 -13.017 -10.779 1.00 0.00 H new ATOM 0 HG SER A 15 1.374 -15.201 -10.946 1.00 0.00 H new ATOM 178 N VAL A 16 2.054 -11.174 -8.840 1.00 0.00 N ATOM 179 CA VAL A 16 2.821 -10.800 -7.657 1.00 0.00 C ATOM 180 C VAL A 16 1.932 -10.127 -6.617 1.00 0.00 C ATOM 181 O VAL A 16 1.967 -10.478 -5.437 1.00 0.00 O ATOM 182 CB VAL A 16 3.980 -9.852 -8.016 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.473 -8.676 -8.838 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.682 -9.368 -6.757 1.00 0.00 C ATOM 0 H VAL A 16 2.430 -10.814 -9.717 1.00 0.00 H new ATOM 0 HA VAL A 16 3.230 -11.720 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 16 4.702 -10.402 -8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.306 -8.017 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.019 -9.044 -9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.730 -8.124 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.498 -8.699 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.971 -8.834 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.081 -10.223 -6.211 1.00 0.00 H new ATOM 194 N ILE A 17 1.137 -9.160 -7.062 1.00 0.00 N ATOM 195 CA ILE A 17 0.238 -8.440 -6.170 1.00 0.00 C ATOM 196 C ILE A 17 -0.802 -9.376 -5.563 1.00 0.00 C ATOM 197 O ILE A 17 -1.028 -9.367 -4.354 1.00 0.00 O ATOM 198 CB ILE A 17 -0.485 -7.294 -6.903 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.519 -6.225 -7.339 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.559 -6.689 -6.012 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.286 -5.612 -6.189 1.00 0.00 C ATOM 0 H ILE A 17 1.097 -8.857 -8.035 1.00 0.00 H new ATOM 0 HA ILE A 17 0.854 -8.020 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.966 -7.698 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.225 -6.667 -8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.011 -5.436 -7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.061 -5.881 -6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.287 -7.456 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.100 -6.296 -5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.979 -4.863 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.588 -5.141 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.844 -6.390 -5.668 1.00 0.00 H new ATOM 213 N GLN A 18 -1.429 -10.184 -6.412 1.00 0.00 N ATOM 214 CA GLN A 18 -2.444 -11.127 -5.959 1.00 0.00 C ATOM 215 C GLN A 18 -1.855 -12.128 -4.970 1.00 0.00 C ATOM 216 O GLN A 18 -2.553 -12.628 -4.089 1.00 0.00 O ATOM 217 CB GLN A 18 -3.051 -11.868 -7.152 1.00 0.00 C ATOM 218 CG GLN A 18 -3.945 -10.995 -8.019 1.00 0.00 C ATOM 219 CD GLN A 18 -5.221 -10.582 -7.312 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.687 -11.264 -6.399 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.793 -9.460 -7.732 1.00 0.00 N ATOM 0 H GLN A 18 -1.252 -10.204 -7.416 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.228 -10.563 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.246 -12.272 -7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.630 -12.716 -6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.395 -10.103 -8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.198 -11.534 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.372 -8.926 -8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.654 -9.132 -7.294 1.00 0.00 H new ATOM 230 N GLN A 19 -0.566 -12.415 -5.124 1.00 0.00 N ATOM 231 CA GLN A 19 0.116 -13.357 -4.245 1.00 0.00 C ATOM 232 C GLN A 19 0.420 -12.719 -2.893 1.00 0.00 C ATOM 233 O GLN A 19 0.271 -13.353 -1.849 1.00 0.00 O ATOM 234 CB GLN A 19 1.412 -13.846 -4.894 1.00 0.00 C ATOM 235 CG GLN A 19 1.203 -14.960 -5.906 1.00 0.00 C ATOM 236 CD GLN A 19 2.408 -15.872 -6.027 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.092 -16.150 -5.042 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.674 -16.344 -7.240 1.00 0.00 N ATOM 0 H GLN A 19 0.026 -12.009 -5.849 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.545 -14.208 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.901 -13.006 -5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.089 -14.197 -4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.333 -15.550 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.983 -14.524 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.080 -16.087 -8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.472 -16.963 -7.383 1.00 0.00 H new ATOM 247 N MET A 20 0.847 -11.460 -2.921 1.00 0.00 N ATOM 248 CA MET A 20 1.170 -10.736 -1.698 1.00 0.00 C ATOM 249 C MET A 20 -0.090 -10.440 -0.892 1.00 0.00 C ATOM 250 O MET A 20 -0.041 -10.316 0.332 1.00 0.00 O ATOM 251 CB MET A 20 1.897 -9.431 -2.029 1.00 0.00 C ATOM 252 CG MET A 20 3.161 -9.630 -2.850 1.00 0.00 C ATOM 253 SD MET A 20 3.524 -8.224 -3.918 1.00 0.00 S ATOM 254 CE MET A 20 4.318 -7.114 -2.758 1.00 0.00 C ATOM 0 H MET A 20 0.977 -10.921 -3.777 1.00 0.00 H new ATOM 0 HA MET A 20 1.825 -11.365 -1.096 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.219 -8.775 -2.575 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.154 -8.922 -1.100 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.003 -9.798 -2.179 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.056 -10.527 -3.460 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.522 -6.162 -3.247 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.661 -6.950 -1.904 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.255 -7.554 -2.416 1.00 0.00 H new ATOM 264 N ALA A 21 -1.218 -10.327 -1.586 1.00 0.00 N ATOM 265 CA ALA A 21 -2.491 -10.046 -0.934 1.00 0.00 C ATOM 266 C ALA A 21 -3.049 -11.295 -0.258 1.00 0.00 C ATOM 267 O ALA A 21 -3.637 -11.217 0.820 1.00 0.00 O ATOM 268 CB ALA A 21 -3.491 -9.498 -1.942 1.00 0.00 C ATOM 0 H ALA A 21 -1.276 -10.426 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.318 -9.294 -0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.437 -9.293 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.103 -8.577 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.651 -10.232 -2.732 1.00 0.00 H new ATOM 274 N GLN A 22 -2.859 -12.443 -0.899 1.00 0.00 N ATOM 275 CA GLN A 22 -3.345 -13.708 -0.360 1.00 0.00 C ATOM 276 C GLN A 22 -4.869 -13.730 -0.314 1.00 0.00 C ATOM 277 O GLN A 22 -5.464 -14.177 0.666 1.00 0.00 O ATOM 278 CB GLN A 22 -2.777 -13.940 1.042 1.00 0.00 C ATOM 279 CG GLN A 22 -1.258 -13.921 1.093 1.00 0.00 C ATOM 280 CD GLN A 22 -0.649 -15.294 0.891 1.00 0.00 C ATOM 281 OE1 GLN A 22 -1.002 -16.250 1.583 1.00 0.00 O ATOM 282 NE2 GLN A 22 0.270 -15.401 -0.060 1.00 0.00 N ATOM 0 H GLN A 22 -2.372 -12.524 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.008 -14.509 -1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.165 -13.174 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.133 -14.900 1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.881 -13.244 0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.936 -13.523 2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.533 -14.583 -0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.714 -16.301 -0.241 1.00 0.00 H new ATOM 291 N GLY A 23 -5.496 -13.245 -1.381 1.00 0.00 N ATOM 292 CA GLY A 23 -6.946 -13.218 -1.442 1.00 0.00 C ATOM 293 C GLY A 23 -7.521 -11.894 -0.981 1.00 0.00 C ATOM 294 O GLY A 23 -8.508 -11.411 -1.536 1.00 0.00 O ATOM 0 H GLY A 23 -5.026 -12.870 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.267 -13.414 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.348 -14.020 -0.823 1.00 0.00 H new ATOM 298 N ARG A 24 -6.904 -11.305 0.038 1.00 0.00 N ATOM 299 CA ARG A 24 -7.363 -10.030 0.575 1.00 0.00 C ATOM 300 C ARG A 24 -7.873 -9.122 -0.540 1.00 0.00 C ATOM 301 O ARG A 24 -7.263 -9.029 -1.605 1.00 0.00 O ATOM 302 CB ARG A 24 -6.231 -9.335 1.335 1.00 0.00 C ATOM 303 CG ARG A 24 -6.010 -9.886 2.735 1.00 0.00 C ATOM 304 CD ARG A 24 -4.806 -9.240 3.404 1.00 0.00 C ATOM 305 NE ARG A 24 -3.565 -9.947 3.099 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.361 -9.494 3.429 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.236 -8.340 4.070 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.279 -10.195 3.117 1.00 0.00 N ATOM 0 H ARG A 24 -6.085 -11.690 0.508 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.185 -10.229 1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.307 -9.434 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.451 -8.270 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.900 -9.713 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.864 -10.965 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.722 -8.204 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.957 -9.222 4.483 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.626 -10.838 2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.066 -7.798 4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.310 -7.994 4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.371 -11.083 2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.355 -9.846 3.371 1.00 0.00 H new ATOM 322 N GLN A 25 -8.994 -8.455 -0.287 1.00 0.00 N ATOM 323 CA GLN A 25 -9.586 -7.556 -1.270 1.00 0.00 C ATOM 324 C GLN A 25 -8.667 -6.371 -1.547 1.00 0.00 C ATOM 325 O GLN A 25 -8.407 -5.554 -0.663 1.00 0.00 O ATOM 326 CB GLN A 25 -10.947 -7.057 -0.783 1.00 0.00 C ATOM 327 CG GLN A 25 -11.660 -6.159 -1.781 1.00 0.00 C ATOM 328 CD GLN A 25 -13.061 -5.789 -1.336 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.617 -6.400 -0.423 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.640 -4.782 -1.981 1.00 0.00 N ATOM 0 H GLN A 25 -9.510 -8.520 0.590 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.722 -8.112 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.581 -7.915 -0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.812 -6.512 0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.077 -5.250 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.711 -6.663 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.142 -4.304 -2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.582 -4.487 -1.725 1.00 0.00 H new ATOM 339 N ILE A 26 -8.177 -6.284 -2.780 1.00 0.00 N ATOM 340 CA ILE A 26 -7.288 -5.198 -3.172 1.00 0.00 C ATOM 341 C ILE A 26 -8.078 -3.985 -3.652 1.00 0.00 C ATOM 342 O ILE A 26 -9.081 -4.124 -4.351 1.00 0.00 O ATOM 343 CB ILE A 26 -6.319 -5.639 -4.286 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.573 -6.908 -3.870 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.338 -4.521 -4.607 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.911 -7.626 -5.025 1.00 0.00 C ATOM 0 H ILE A 26 -8.381 -6.952 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.713 -4.926 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.896 -5.858 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.814 -6.648 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.272 -7.588 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.660 -4.847 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.887 -3.640 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.764 -4.273 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.401 -8.516 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.667 -7.917 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.187 -6.963 -5.499 1.00 0.00 H new ATOM 358 N GLU A 27 -7.618 -2.797 -3.273 1.00 0.00 N ATOM 359 CA GLU A 27 -8.282 -1.560 -3.666 1.00 0.00 C ATOM 360 C GLU A 27 -7.276 -0.553 -4.215 1.00 0.00 C ATOM 361 O GLU A 27 -6.359 -0.128 -3.511 1.00 0.00 O ATOM 362 CB GLU A 27 -9.028 -0.955 -2.475 1.00 0.00 C ATOM 363 CG GLU A 27 -10.436 -1.499 -2.298 1.00 0.00 C ATOM 364 CD GLU A 27 -11.372 -1.068 -3.411 1.00 0.00 C ATOM 365 OE1 GLU A 27 -11.369 0.131 -3.758 1.00 0.00 O ATOM 366 OE2 GLU A 27 -12.106 -1.932 -3.936 1.00 0.00 O ATOM 0 H GLU A 27 -6.788 -2.665 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.999 -1.797 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.458 -1.144 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.079 0.127 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.399 -2.588 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.835 -1.161 -1.342 1.00 0.00 H new ATOM 373 N TYR A 28 -7.454 -0.175 -5.476 1.00 0.00 N ATOM 374 CA TYR A 28 -6.560 0.779 -6.121 1.00 0.00 C ATOM 375 C TYR A 28 -6.740 2.176 -5.533 1.00 0.00 C ATOM 376 O TYR A 28 -7.697 2.880 -5.858 1.00 0.00 O ATOM 377 CB TYR A 28 -6.817 0.811 -7.628 1.00 0.00 C ATOM 378 CG TYR A 28 -6.943 -0.561 -8.250 1.00 0.00 C ATOM 379 CD1 TYR A 28 -5.839 -1.397 -8.366 1.00 0.00 C ATOM 380 CD2 TYR A 28 -8.166 -1.021 -8.724 1.00 0.00 C ATOM 381 CE1 TYR A 28 -5.949 -2.651 -8.934 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.285 -2.275 -9.292 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.175 -3.086 -9.395 1.00 0.00 C ATOM 384 OH TYR A 28 -7.290 -4.335 -9.962 1.00 0.00 O ATOM 0 H TYR A 28 -8.209 -0.515 -6.072 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.534 0.458 -5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.731 1.373 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.004 1.348 -8.115 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.878 -1.060 -8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.038 -0.388 -8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.081 -3.288 -9.017 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.243 -2.618 -9.654 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.219 -4.487 -10.233 1.00 0.00 H new ATOM 394 N ILE A 29 -5.812 2.570 -4.668 1.00 0.00 N ATOM 395 CA ILE A 29 -5.866 3.882 -4.036 1.00 0.00 C ATOM 396 C ILE A 29 -5.144 4.928 -4.879 1.00 0.00 C ATOM 397 O ILE A 29 -3.914 4.961 -4.927 1.00 0.00 O ATOM 398 CB ILE A 29 -5.242 3.855 -2.628 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.788 2.671 -1.828 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.517 5.163 -1.901 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.230 2.840 -1.405 1.00 0.00 C ATOM 0 H ILE A 29 -5.014 2.000 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.920 4.149 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.163 3.737 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.698 1.765 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.172 2.528 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.070 5.128 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.085 5.990 -2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.593 5.309 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.549 1.963 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.324 3.727 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.858 2.952 -2.289 1.00 0.00 H new ATOM 413 N ASP A 30 -5.917 5.783 -5.540 1.00 0.00 N ATOM 414 CA ASP A 30 -5.352 6.833 -6.380 1.00 0.00 C ATOM 415 C ASP A 30 -5.144 8.115 -5.580 1.00 0.00 C ATOM 416 O ASP A 30 -6.086 8.872 -5.345 1.00 0.00 O ATOM 417 CB ASP A 30 -6.265 7.106 -7.576 1.00 0.00 C ATOM 418 CG ASP A 30 -7.559 7.784 -7.173 1.00 0.00 C ATOM 419 OD1 ASP A 30 -8.456 7.089 -6.649 1.00 0.00 O ATOM 420 OD2 ASP A 30 -7.676 9.010 -7.380 1.00 0.00 O ATOM 0 H ASP A 30 -6.936 5.770 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.383 6.491 -6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.739 7.733 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.492 6.166 -8.078 1.00 0.00 H new ATOM 425 N ILE A 31 -3.904 8.352 -5.163 1.00 0.00 N ATOM 426 CA ILE A 31 -3.573 9.542 -4.390 1.00 0.00 C ATOM 427 C ILE A 31 -3.005 10.639 -5.284 1.00 0.00 C ATOM 428 O ILE A 31 -2.091 10.399 -6.072 1.00 0.00 O ATOM 429 CB ILE A 31 -2.557 9.226 -3.276 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.179 8.287 -2.240 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.078 10.510 -2.616 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.187 7.768 -1.223 1.00 0.00 C ATOM 0 H ILE A 31 -3.113 7.735 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.501 9.891 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.696 8.727 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.980 8.813 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.635 7.442 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.361 10.270 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.601 11.146 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.929 11.035 -2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.697 7.109 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.399 7.214 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.749 8.606 -0.681 1.00 0.00 H new ATOM 444 N GLU A 32 -3.553 11.843 -5.155 1.00 0.00 N ATOM 445 CA GLU A 32 -3.100 12.977 -5.952 1.00 0.00 C ATOM 446 C GLU A 32 -2.179 13.881 -5.137 1.00 0.00 C ATOM 447 O GLU A 32 -2.641 14.704 -4.345 1.00 0.00 O ATOM 448 CB GLU A 32 -4.297 13.780 -6.465 1.00 0.00 C ATOM 449 CG GLU A 32 -4.971 13.159 -7.677 1.00 0.00 C ATOM 450 CD GLU A 32 -6.040 14.055 -8.273 1.00 0.00 C ATOM 451 OE1 GLU A 32 -6.973 14.434 -7.535 1.00 0.00 O ATOM 452 OE2 GLU A 32 -5.943 14.377 -9.475 1.00 0.00 O ATOM 0 H GLU A 32 -4.311 12.058 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.541 12.589 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.029 13.878 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.966 14.787 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.219 12.943 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.418 12.207 -7.391 1.00 0.00 H new ATOM 459 N ARG A 33 -0.875 13.722 -5.336 1.00 0.00 N ATOM 460 CA ARG A 33 0.111 14.521 -4.619 1.00 0.00 C ATOM 461 C ARG A 33 -0.339 15.976 -4.517 1.00 0.00 C ATOM 462 O ARG A 33 -0.377 16.710 -5.505 1.00 0.00 O ATOM 463 CB ARG A 33 1.469 14.444 -5.319 1.00 0.00 C ATOM 464 CG ARG A 33 2.347 13.308 -4.820 1.00 0.00 C ATOM 465 CD ARG A 33 3.197 13.740 -3.636 1.00 0.00 C ATOM 466 NE ARG A 33 4.148 14.789 -3.997 1.00 0.00 N ATOM 467 CZ ARG A 33 5.219 15.091 -3.272 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.474 14.429 -2.152 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.037 16.059 -3.667 1.00 0.00 N ATOM 0 H ARG A 33 -0.477 13.047 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 33 0.206 14.116 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.310 14.325 -6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.995 15.388 -5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.722 12.463 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.994 12.965 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.549 14.098 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.739 12.879 -3.245 1.00 0.00 H new ATOM 0 HE ARG A 33 3.980 15.318 -4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.847 13.685 -1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.297 14.663 -1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.843 16.571 -4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.859 16.291 -3.110 1.00 0.00 H new ATOM 536 N LEU A 39 2.678 13.698 1.120 1.00 0.00 N ATOM 537 CA LEU A 39 1.418 12.980 0.963 1.00 0.00 C ATOM 538 C LEU A 39 0.465 13.295 2.112 1.00 0.00 C ATOM 539 O LEU A 39 -0.730 13.500 1.903 1.00 0.00 O ATOM 540 CB LEU A 39 1.672 11.474 0.894 1.00 0.00 C ATOM 541 CG LEU A 39 3.013 11.046 0.297 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.153 9.532 0.330 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.153 11.565 -1.126 1.00 0.00 C ATOM 0 HA LEU A 39 0.955 13.307 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.600 11.067 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.874 11.018 0.308 1.00 0.00 H new ATOM 0 HG LEU A 39 3.812 11.478 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.113 9.246 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.098 9.184 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.348 9.079 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.113 11.251 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.348 11.163 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.098 12.654 -1.123 1.00 0.00 H new ATOM 555 N GLY A 40 1.004 13.334 3.327 1.00 0.00 N ATOM 556 CA GLY A 40 0.188 13.626 4.491 1.00 0.00 C ATOM 557 C GLY A 40 -0.090 12.394 5.329 1.00 0.00 C ATOM 558 O GLY A 40 -0.888 12.438 6.266 1.00 0.00 O ATOM 0 H GLY A 40 1.991 13.169 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.691 14.373 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.757 14.063 4.168 1.00 0.00 H new ATOM 562 N PHE A 41 0.569 11.290 4.991 1.00 0.00 N ATOM 563 CA PHE A 41 0.387 10.039 5.718 1.00 0.00 C ATOM 564 C PHE A 41 1.722 9.329 5.921 1.00 0.00 C ATOM 565 O PHE A 41 2.578 9.328 5.036 1.00 0.00 O ATOM 566 CB PHE A 41 -0.582 9.124 4.966 1.00 0.00 C ATOM 567 CG PHE A 41 0.029 8.464 3.763 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.988 7.475 3.911 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.355 8.833 2.484 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.552 6.867 2.805 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.205 8.228 1.374 1.00 0.00 C ATOM 572 CZ PHE A 41 1.159 7.243 1.536 1.00 0.00 C ATOM 0 H PHE A 41 1.233 11.237 4.219 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.032 10.274 6.697 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.946 8.355 5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.448 9.706 4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.298 7.176 4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.101 9.603 2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.300 6.098 2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.103 8.525 0.382 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.597 6.767 0.671 1.00 0.00 H new ATOM 582 N SER A 42 1.893 8.725 7.092 1.00 0.00 N ATOM 583 CA SER A 42 3.125 8.014 7.414 1.00 0.00 C ATOM 584 C SER A 42 2.991 6.527 7.103 1.00 0.00 C ATOM 585 O SER A 42 1.904 6.042 6.787 1.00 0.00 O ATOM 586 CB SER A 42 3.480 8.208 8.889 1.00 0.00 C ATOM 587 OG SER A 42 4.049 9.487 9.113 1.00 0.00 O ATOM 0 H SER A 42 1.194 8.714 7.834 1.00 0.00 H new ATOM 0 HA SER A 42 3.925 8.426 6.798 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.585 8.093 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.181 7.435 9.202 1.00 0.00 H new ATOM 0 HG SER A 42 4.265 9.587 10.064 1.00 0.00 H new ATOM 593 N VAL A 43 4.104 5.807 7.195 1.00 0.00 N ATOM 594 CA VAL A 43 4.113 4.374 6.925 1.00 0.00 C ATOM 595 C VAL A 43 5.039 3.639 7.887 1.00 0.00 C ATOM 596 O VAL A 43 5.999 4.211 8.401 1.00 0.00 O ATOM 597 CB VAL A 43 4.555 4.078 5.479 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.553 4.650 4.487 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.948 4.634 5.223 1.00 0.00 C ATOM 0 H VAL A 43 5.012 6.193 7.455 1.00 0.00 H new ATOM 0 HA VAL A 43 3.092 4.020 7.065 1.00 0.00 H new ATOM 0 HB VAL A 43 4.590 2.997 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.882 4.431 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.575 4.200 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.484 5.729 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.244 4.416 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.943 5.713 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.656 4.172 5.911 1.00 0.00 H new ATOM 609 N VAL A 44 4.743 2.365 8.128 1.00 0.00 N ATOM 610 CA VAL A 44 5.549 1.550 9.028 1.00 0.00 C ATOM 611 C VAL A 44 6.075 0.306 8.320 1.00 0.00 C ATOM 612 O VAL A 44 5.416 -0.244 7.438 1.00 0.00 O ATOM 613 CB VAL A 44 4.744 1.119 10.268 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.546 2.296 11.212 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.405 0.527 9.855 1.00 0.00 C ATOM 0 H VAL A 44 3.951 1.876 7.712 1.00 0.00 H new ATOM 0 HA VAL A 44 6.389 2.167 9.346 1.00 0.00 H new ATOM 0 HB VAL A 44 5.308 0.350 10.796 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.975 1.972 12.082 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.517 2.671 11.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.004 3.089 10.697 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.850 0.228 10.744 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.832 1.272 9.303 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.572 -0.344 9.222 1.00 0.00 H new ATOM 625 N ALA A 45 7.266 -0.134 8.714 1.00 0.00 N ATOM 626 CA ALA A 45 7.879 -1.315 8.120 1.00 0.00 C ATOM 627 C ALA A 45 7.714 -2.532 9.023 1.00 0.00 C ATOM 628 O ALA A 45 7.966 -2.464 10.227 1.00 0.00 O ATOM 629 CB ALA A 45 9.352 -1.059 7.839 1.00 0.00 C ATOM 0 H ALA A 45 7.825 0.310 9.442 1.00 0.00 H new ATOM 0 HA ALA A 45 7.371 -1.523 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.798 -1.949 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.450 -0.221 7.149 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.865 -0.823 8.771 1.00 0.00 H new ATOM 635 N LEU A 46 7.290 -3.646 8.435 1.00 0.00 N ATOM 636 CA LEU A 46 7.091 -4.880 9.187 1.00 0.00 C ATOM 637 C LEU A 46 7.404 -6.099 8.325 1.00 0.00 C ATOM 638 O LEU A 46 6.658 -6.427 7.403 1.00 0.00 O ATOM 639 CB LEU A 46 5.653 -4.960 9.702 1.00 0.00 C ATOM 640 CG LEU A 46 5.219 -3.848 10.657 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.705 -3.826 10.797 1.00 0.00 C ATOM 642 CD2 LEU A 46 5.880 -4.025 12.017 1.00 0.00 C ATOM 0 H LEU A 46 7.078 -3.720 7.440 1.00 0.00 H new ATOM 0 HA LEU A 46 7.774 -4.874 10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.981 -4.958 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.522 -5.917 10.207 1.00 0.00 H new ATOM 0 HG LEU A 46 5.539 -2.892 10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.414 -3.028 11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.252 -3.651 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.362 -4.783 11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.560 -3.225 12.684 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.591 -4.987 12.440 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.963 -3.990 11.902 1.00 0.00 H new ATOM 654 N ARG A 47 8.511 -6.767 8.634 1.00 0.00 N ATOM 655 CA ARG A 47 8.921 -7.951 7.888 1.00 0.00 C ATOM 656 C ARG A 47 7.761 -8.931 7.742 1.00 0.00 C ATOM 657 O ARG A 47 7.185 -9.378 8.733 1.00 0.00 O ATOM 658 CB ARG A 47 10.097 -8.636 8.586 1.00 0.00 C ATOM 659 CG ARG A 47 11.042 -9.348 7.631 1.00 0.00 C ATOM 660 CD ARG A 47 10.392 -10.579 7.019 1.00 0.00 C ATOM 661 NE ARG A 47 10.321 -11.689 7.967 1.00 0.00 N ATOM 662 CZ ARG A 47 11.355 -12.468 8.264 1.00 0.00 C ATOM 663 NH1 ARG A 47 12.533 -12.259 7.692 1.00 0.00 N ATOM 664 NH2 ARG A 47 11.212 -13.457 9.136 1.00 0.00 N ATOM 0 H ARG A 47 9.139 -6.509 9.395 1.00 0.00 H new ATOM 0 HA ARG A 47 9.232 -7.633 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.658 -7.891 9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.711 -9.357 9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.345 -8.663 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.947 -9.640 8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.387 -10.327 6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.957 -10.888 6.140 1.00 0.00 H new ATOM 0 HE ARG A 47 9.429 -11.876 8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.647 -11.498 7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.325 -12.859 7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.308 -13.620 9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.006 -14.055 9.364 1.00 0.00 H new ATOM 678 N SER A 48 7.424 -9.259 6.499 1.00 0.00 N ATOM 679 CA SER A 48 6.330 -10.183 6.222 1.00 0.00 C ATOM 680 C SER A 48 6.740 -11.619 6.534 1.00 0.00 C ATOM 681 O SER A 48 7.865 -11.875 6.960 1.00 0.00 O ATOM 682 CB SER A 48 5.897 -10.070 4.759 1.00 0.00 C ATOM 683 OG SER A 48 4.520 -10.371 4.610 1.00 0.00 O ATOM 0 H SER A 48 7.893 -8.899 5.668 1.00 0.00 H new ATOM 0 HA SER A 48 5.490 -9.916 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.093 -9.061 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.489 -10.751 4.147 1.00 0.00 H new ATOM 0 HG SER A 48 3.993 -9.789 5.196 1.00 0.00 H new ATOM 689 N GLN A 49 5.817 -12.551 6.318 1.00 0.00 N ATOM 690 CA GLN A 49 6.081 -13.961 6.576 1.00 0.00 C ATOM 691 C GLN A 49 6.345 -14.713 5.275 1.00 0.00 C ATOM 692 O GLN A 49 7.165 -15.629 5.233 1.00 0.00 O ATOM 693 CB GLN A 49 4.902 -14.596 7.315 1.00 0.00 C ATOM 694 CG GLN A 49 5.275 -15.845 8.098 1.00 0.00 C ATOM 695 CD GLN A 49 4.161 -16.315 9.012 1.00 0.00 C ATOM 696 OE1 GLN A 49 3.995 -15.804 10.120 1.00 0.00 O ATOM 697 NE2 GLN A 49 3.390 -17.293 8.552 1.00 0.00 N ATOM 0 H GLN A 49 4.880 -12.355 5.965 1.00 0.00 H new ATOM 0 HA GLN A 49 6.972 -14.029 7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.475 -13.862 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.125 -14.848 6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.529 -16.644 7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.167 -15.644 8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.564 -17.687 7.627 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.624 -17.650 9.123 1.00 0.00 H new ATOM 706 N ASN A 50 5.645 -14.319 4.217 1.00 0.00 N ATOM 707 CA ASN A 50 5.803 -14.956 2.915 1.00 0.00 C ATOM 708 C ASN A 50 7.264 -15.312 2.658 1.00 0.00 C ATOM 709 O ASN A 50 7.629 -16.487 2.605 1.00 0.00 O ATOM 710 CB ASN A 50 5.288 -14.035 1.807 1.00 0.00 C ATOM 711 CG ASN A 50 3.805 -14.217 1.547 1.00 0.00 C ATOM 712 OD1 ASN A 50 3.024 -14.442 2.472 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.410 -14.120 0.283 1.00 0.00 N ATOM 0 H ASN A 50 4.962 -13.561 4.236 1.00 0.00 H new ATOM 0 HA ASN A 50 5.218 -15.875 2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.481 -12.998 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.842 -14.231 0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.424 -14.233 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.092 -13.932 -0.452 1.00 0.00 H new ATOM 720 N LEU A 51 8.097 -14.289 2.498 1.00 0.00 N ATOM 721 CA LEU A 51 9.520 -14.493 2.247 1.00 0.00 C ATOM 722 C LEU A 51 10.295 -13.190 2.417 1.00 0.00 C ATOM 723 O LEU A 51 9.706 -12.124 2.588 1.00 0.00 O ATOM 724 CB LEU A 51 9.734 -15.047 0.838 1.00 0.00 C ATOM 725 CG LEU A 51 9.901 -14.010 -0.274 1.00 0.00 C ATOM 726 CD1 LEU A 51 8.921 -12.863 -0.084 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.331 -13.492 -0.310 1.00 0.00 C ATOM 0 H LEU A 51 7.812 -13.310 2.538 1.00 0.00 H new ATOM 0 HA LEU A 51 9.893 -15.213 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.619 -15.683 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.887 -15.685 0.588 1.00 0.00 H new ATOM 0 HG LEU A 51 9.686 -14.490 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.054 -12.135 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.901 -13.248 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.104 -12.383 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.431 -12.755 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.574 -13.028 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.014 -14.321 -0.495 1.00 0.00 H new ATOM 739 N GLY A 52 11.620 -13.285 2.365 1.00 0.00 N ATOM 740 CA GLY A 52 12.454 -12.106 2.513 1.00 0.00 C ATOM 741 C GLY A 52 11.811 -10.864 1.929 1.00 0.00 C ATOM 742 O GLY A 52 12.006 -10.549 0.755 1.00 0.00 O ATOM 0 H GLY A 52 12.131 -14.156 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.661 -11.941 3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.413 -12.279 2.024 1.00 0.00 H new ATOM 746 N LYS A 53 11.041 -10.157 2.749 1.00 0.00 N ATOM 747 CA LYS A 53 10.366 -8.942 2.307 1.00 0.00 C ATOM 748 C LYS A 53 9.733 -8.212 3.488 1.00 0.00 C ATOM 749 O LYS A 53 9.601 -8.770 4.577 1.00 0.00 O ATOM 750 CB LYS A 53 9.295 -9.278 1.268 1.00 0.00 C ATOM 751 CG LYS A 53 7.985 -9.752 1.875 1.00 0.00 C ATOM 752 CD LYS A 53 6.957 -10.070 0.803 1.00 0.00 C ATOM 753 CE LYS A 53 6.360 -8.803 0.209 1.00 0.00 C ATOM 754 NZ LYS A 53 5.562 -8.043 1.211 1.00 0.00 N ATOM 0 H LYS A 53 10.869 -10.404 3.723 1.00 0.00 H new ATOM 0 HA LYS A 53 11.110 -8.287 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.104 -8.396 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.677 -10.051 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.164 -10.639 2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.592 -8.983 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.424 -10.658 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.163 -10.682 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.160 -8.170 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.726 -9.063 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.730 -7.625 0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.250 -8.686 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.147 -7.287 1.620 1.00 0.00 H new ATOM 768 N VAL A 54 9.341 -6.962 3.263 1.00 0.00 N ATOM 769 CA VAL A 54 8.719 -6.157 4.308 1.00 0.00 C ATOM 770 C VAL A 54 7.330 -5.690 3.887 1.00 0.00 C ATOM 771 O VAL A 54 7.015 -5.635 2.698 1.00 0.00 O ATOM 772 CB VAL A 54 9.579 -4.927 4.656 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.009 -4.202 5.865 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.022 -5.340 4.902 1.00 0.00 C ATOM 0 H VAL A 54 9.443 -6.485 2.367 1.00 0.00 H new ATOM 0 HA VAL A 54 8.634 -6.792 5.190 1.00 0.00 H new ATOM 0 HB VAL A 54 9.561 -4.240 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.630 -3.336 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.993 -3.873 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.995 -4.877 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.616 -4.459 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.062 -6.046 5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.424 -5.811 4.005 1.00 0.00 H new ATOM 784 N ASP A 55 6.502 -5.353 4.871 1.00 0.00 N ATOM 785 CA ASP A 55 5.146 -4.888 4.603 1.00 0.00 C ATOM 786 C ASP A 55 4.958 -3.454 5.087 1.00 0.00 C ATOM 787 O ASP A 55 5.007 -3.182 6.287 1.00 0.00 O ATOM 788 CB ASP A 55 4.127 -5.806 5.280 1.00 0.00 C ATOM 789 CG ASP A 55 4.227 -7.239 4.796 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.210 -7.453 3.566 1.00 0.00 O ATOM 791 OD2 ASP A 55 4.324 -8.147 5.648 1.00 0.00 O ATOM 0 H ASP A 55 6.746 -5.393 5.860 1.00 0.00 H new ATOM 0 HA ASP A 55 4.986 -4.912 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.278 -5.779 6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.122 -5.431 5.090 1.00 0.00 H new ATOM 796 N ILE A 56 4.744 -2.541 4.146 1.00 0.00 N ATOM 797 CA ILE A 56 4.548 -1.135 4.477 1.00 0.00 C ATOM 798 C ILE A 56 3.079 -0.833 4.750 1.00 0.00 C ATOM 799 O ILE A 56 2.243 -0.894 3.847 1.00 0.00 O ATOM 800 CB ILE A 56 5.048 -0.216 3.347 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.473 -0.598 2.941 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.989 1.241 3.783 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.396 -0.826 4.118 1.00 0.00 C ATOM 0 H ILE A 56 4.702 -2.750 3.148 1.00 0.00 H new ATOM 0 HA ILE A 56 5.129 -0.939 5.378 1.00 0.00 H new ATOM 0 HB ILE A 56 4.397 -0.343 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.439 -1.504 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.887 0.191 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.346 1.878 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.960 1.506 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.619 1.384 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.389 -1.093 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.460 0.086 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.005 -1.635 4.735 1.00 0.00 H new ATOM 815 N PHE A 57 2.769 -0.506 6.000 1.00 0.00 N ATOM 816 CA PHE A 57 1.400 -0.194 6.392 1.00 0.00 C ATOM 817 C PHE A 57 1.217 1.310 6.579 1.00 0.00 C ATOM 818 O PHE A 57 2.103 1.995 7.091 1.00 0.00 O ATOM 819 CB PHE A 57 1.037 -0.927 7.685 1.00 0.00 C ATOM 820 CG PHE A 57 1.035 -2.423 7.545 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.186 -3.156 7.783 1.00 0.00 C ATOM 822 CD2 PHE A 57 -0.119 -3.095 7.176 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.187 -4.533 7.655 1.00 0.00 C ATOM 824 CE2 PHE A 57 -0.124 -4.471 7.047 1.00 0.00 C ATOM 825 CZ PHE A 57 1.030 -5.191 7.286 1.00 0.00 C ATOM 0 H PHE A 57 3.448 -0.450 6.759 1.00 0.00 H new ATOM 0 HA PHE A 57 0.736 -0.527 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.744 -0.644 8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.051 -0.599 8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.093 -2.646 8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.025 -2.538 6.987 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.091 -5.093 7.843 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.030 -4.983 6.759 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.028 -6.266 7.185 1.00 0.00 H new ATOM 835 N VAL A 58 0.062 1.816 6.160 1.00 0.00 N ATOM 836 CA VAL A 58 -0.239 3.237 6.280 1.00 0.00 C ATOM 837 C VAL A 58 -0.647 3.594 7.705 1.00 0.00 C ATOM 838 O VAL A 58 -1.740 3.247 8.155 1.00 0.00 O ATOM 839 CB VAL A 58 -1.363 3.657 5.316 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.617 5.154 5.410 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.019 3.255 3.889 1.00 0.00 C ATOM 0 H VAL A 58 -0.681 1.262 5.734 1.00 0.00 H new ATOM 0 HA VAL A 58 0.672 3.776 6.020 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.277 3.139 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.415 5.432 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.911 5.410 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.707 5.695 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.825 3.560 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.093 3.743 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.893 2.174 3.836 1.00 0.00 H new ATOM 851 N LYS A 59 0.238 4.288 8.412 1.00 0.00 N ATOM 852 CA LYS A 59 -0.030 4.694 9.787 1.00 0.00 C ATOM 853 C LYS A 59 -0.095 6.214 9.902 1.00 0.00 C ATOM 854 O LYS A 59 0.540 6.933 9.130 1.00 0.00 O ATOM 855 CB LYS A 59 1.052 4.147 10.722 1.00 0.00 C ATOM 856 CG LYS A 59 1.180 2.635 10.684 1.00 0.00 C ATOM 857 CD LYS A 59 0.341 1.976 11.766 1.00 0.00 C ATOM 858 CE LYS A 59 0.209 0.479 11.535 1.00 0.00 C ATOM 859 NZ LYS A 59 1.248 -0.290 12.276 1.00 0.00 N ATOM 0 H LYS A 59 1.148 4.581 8.056 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.996 4.283 10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.011 4.591 10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.830 4.459 11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.868 2.267 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.225 2.354 10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.795 2.156 12.740 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.649 2.431 11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.781 0.149 11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.292 0.267 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.644 -1.025 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.007 0.354 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.819 -0.736 13.112 1.00 0.00 H new ATOM 873 N ASP A 60 -0.864 6.696 10.872 1.00 0.00 N ATOM 874 CA ASP A 60 -1.011 8.131 11.090 1.00 0.00 C ATOM 875 C ASP A 60 -1.620 8.808 9.866 1.00 0.00 C ATOM 876 O ASP A 60 -1.054 9.756 9.322 1.00 0.00 O ATOM 877 CB ASP A 60 0.346 8.760 11.414 1.00 0.00 C ATOM 878 CG ASP A 60 0.640 8.768 12.901 1.00 0.00 C ATOM 879 OD1 ASP A 60 0.256 9.746 13.576 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.254 7.797 13.390 1.00 0.00 O ATOM 0 H ASP A 60 -1.395 6.114 11.520 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.683 8.278 11.935 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.131 8.211 10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.369 9.782 11.037 1.00 0.00 H new ATOM 885 N VAL A 61 -2.776 8.312 9.436 1.00 0.00 N ATOM 886 CA VAL A 61 -3.462 8.869 8.276 1.00 0.00 C ATOM 887 C VAL A 61 -4.115 10.205 8.613 1.00 0.00 C ATOM 888 O VAL A 61 -5.233 10.249 9.125 1.00 0.00 O ATOM 889 CB VAL A 61 -4.539 7.904 7.745 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.374 8.577 6.667 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.897 6.630 7.216 1.00 0.00 C ATOM 0 H VAL A 61 -3.257 7.526 9.873 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.707 9.021 7.504 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.201 7.636 8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.129 7.880 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.863 9.458 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.729 8.876 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.672 5.959 6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.212 6.877 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.347 6.139 8.019 1.00 0.00 H new ATOM 901 N GLN A 62 -3.408 11.292 8.320 1.00 0.00 N ATOM 902 CA GLN A 62 -3.919 12.630 8.592 1.00 0.00 C ATOM 903 C GLN A 62 -5.408 12.720 8.274 1.00 0.00 C ATOM 904 O GLN A 62 -5.833 12.571 7.128 1.00 0.00 O ATOM 905 CB GLN A 62 -3.149 13.669 7.776 1.00 0.00 C ATOM 906 CG GLN A 62 -1.788 14.014 8.360 1.00 0.00 C ATOM 907 CD GLN A 62 -1.863 15.108 9.407 1.00 0.00 C ATOM 908 OE1 GLN A 62 -2.847 15.217 10.138 1.00 0.00 O ATOM 909 NE2 GLN A 62 -0.820 15.926 9.485 1.00 0.00 N ATOM 0 H GLN A 62 -2.481 11.272 7.895 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.779 12.835 9.653 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.015 13.295 6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.746 14.578 7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.350 13.120 8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.122 14.330 7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.025 15.799 8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.814 16.681 10.171 1.00 0.00 H new ATOM 918 N PRO A 63 -6.222 12.968 9.311 1.00 0.00 N ATOM 919 CA PRO A 63 -7.676 13.082 9.167 1.00 0.00 C ATOM 920 C PRO A 63 -8.087 14.345 8.417 1.00 0.00 C ATOM 921 O PRO A 63 -9.272 14.594 8.205 1.00 0.00 O ATOM 922 CB PRO A 63 -8.173 13.134 10.614 1.00 0.00 C ATOM 923 CG PRO A 63 -7.020 13.669 11.392 1.00 0.00 C ATOM 924 CD PRO A 63 -5.784 13.156 10.705 1.00 0.00 C ATOM 0 HA PRO A 63 -8.094 12.259 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.048 13.778 10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.465 12.145 10.968 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.033 14.759 11.410 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.059 13.333 12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.961 13.867 10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.437 12.222 11.147 1.00 0.00 H new ATOM 932 N GLY A 64 -7.097 15.138 8.017 1.00 0.00 N ATOM 933 CA GLY A 64 -7.377 16.365 7.295 1.00 0.00 C ATOM 934 C GLY A 64 -6.376 16.626 6.186 1.00 0.00 C ATOM 935 O GLY A 64 -5.772 17.697 6.126 1.00 0.00 O ATOM 0 H GLY A 64 -6.107 14.952 8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.380 16.313 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.369 17.203 7.992 1.00 0.00 H new ATOM 939 N SER A 65 -6.200 15.645 5.308 1.00 0.00 N ATOM 940 CA SER A 65 -5.261 15.771 4.199 1.00 0.00 C ATOM 941 C SER A 65 -5.708 14.925 3.010 1.00 0.00 C ATOM 942 O SER A 65 -6.660 14.152 3.107 1.00 0.00 O ATOM 943 CB SER A 65 -3.858 15.350 4.640 1.00 0.00 C ATOM 944 OG SER A 65 -3.284 16.316 5.503 1.00 0.00 O ATOM 0 H SER A 65 -6.695 14.754 5.342 1.00 0.00 H new ATOM 0 HA SER A 65 -5.239 16.816 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.907 14.387 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.223 15.217 3.764 1.00 0.00 H new ATOM 0 HG SER A 65 -3.954 16.996 5.725 1.00 0.00 H new ATOM 950 N VAL A 66 -5.012 15.079 1.888 1.00 0.00 N ATOM 951 CA VAL A 66 -5.335 14.330 0.679 1.00 0.00 C ATOM 952 C VAL A 66 -5.607 12.864 0.998 1.00 0.00 C ATOM 953 O VAL A 66 -6.326 12.183 0.268 1.00 0.00 O ATOM 954 CB VAL A 66 -4.197 14.416 -0.355 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.928 13.779 0.191 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.614 13.758 -1.661 1.00 0.00 C ATOM 0 H VAL A 66 -4.221 15.716 1.791 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.234 14.780 0.258 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.990 15.467 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.136 13.850 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.621 14.300 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.117 12.730 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.798 13.828 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.850 12.709 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.493 14.265 -2.059 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.309 5.503 1.001 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.222 4.904 1.768 1.00 0.00 C ATOM 1067 C LEU A 73 -7.574 4.838 3.251 1.00 0.00 C ATOM 1068 O LEU A 73 -7.886 5.854 3.872 1.00 0.00 O ATOM 1069 CB LEU A 73 -5.933 5.703 1.574 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.630 4.909 1.669 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.481 5.692 1.052 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.323 4.561 3.119 1.00 0.00 C ATOM 0 HA LEU A 73 -7.071 3.888 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.971 6.184 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.906 6.497 2.320 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.751 3.981 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.562 5.111 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.698 5.890 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.358 6.637 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.392 3.996 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.222 5.478 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.135 3.960 3.529 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.521 3.635 3.813 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.830 3.436 5.224 1.00 0.00 C ATOM 1086 C LYS A 74 -6.562 3.155 6.025 1.00 0.00 C ATOM 1087 O LYS A 74 -5.590 2.619 5.496 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.818 2.279 5.392 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.157 2.520 4.716 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.140 3.200 5.654 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.929 2.185 6.466 1.00 0.00 C ATOM 1092 NZ LYS A 74 -13.104 2.805 7.139 1.00 0.00 N ATOM 0 H LYS A 74 -7.267 2.783 3.313 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.283 4.352 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.373 1.371 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.983 2.105 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.012 3.137 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.572 1.570 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.601 3.866 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.827 3.819 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.267 1.381 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.278 1.734 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.615 2.080 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.780 3.555 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.739 3.213 6.423 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.582 3.521 7.303 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.434 3.307 8.176 1.00 0.00 C ATOM 1108 C GLU A 75 -5.068 1.827 8.241 1.00 0.00 C ATOM 1109 O GLU A 75 -5.901 0.959 7.985 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.729 3.833 9.582 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.483 4.048 10.425 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.805 4.469 11.846 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -5.235 5.625 12.040 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -4.629 3.641 12.763 1.00 0.00 O ATOM 0 H GLU A 75 -7.380 3.967 7.756 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.588 3.855 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.270 4.776 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.387 3.130 10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.900 3.127 10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.859 4.810 9.957 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.815 1.548 8.586 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.337 0.174 8.684 1.00 0.00 C ATOM 1123 C ASN A 76 -3.457 -0.541 7.341 1.00 0.00 C ATOM 1124 O ASN A 76 -3.715 -1.744 7.288 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.126 -0.587 9.752 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.593 -0.340 11.150 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.823 -1.139 11.683 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -4.002 0.771 11.751 1.00 0.00 N ATOM 0 H ASN A 76 -3.113 2.255 8.802 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.285 0.201 8.968 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.173 -0.289 9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.089 -1.655 9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.677 0.991 12.693 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.641 1.405 11.271 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.267 0.207 6.260 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.351 -0.355 4.917 1.00 0.00 C ATOM 1137 C ASP A 77 -1.965 -0.708 4.388 1.00 0.00 C ATOM 1138 O ASP A 77 -1.084 0.147 4.308 1.00 0.00 O ATOM 1139 CB ASP A 77 -4.036 0.633 3.971 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.544 0.476 3.962 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.096 -0.014 4.970 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.172 0.843 2.947 1.00 0.00 O ATOM 0 H ASP A 77 -3.054 1.204 6.287 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.944 -1.268 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.781 1.651 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.653 0.489 2.961 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.780 -1.974 4.028 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.500 -2.441 3.508 1.00 0.00 C ATOM 1149 C GLN A 78 -0.375 -2.138 2.019 1.00 0.00 C ATOM 1150 O GLN A 78 -1.193 -2.583 1.214 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.345 -3.943 3.750 1.00 0.00 C ATOM 1152 CG GLN A 78 1.079 -4.445 3.567 1.00 0.00 C ATOM 1153 CD GLN A 78 1.140 -5.925 3.247 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.404 -6.727 3.822 1.00 0.00 O ATOM 1155 NE2 GLN A 78 2.020 -6.296 2.324 1.00 0.00 N ATOM 0 H GLN A 78 -2.500 -2.694 4.087 1.00 0.00 H new ATOM 0 HA GLN A 78 0.293 -1.912 4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.676 -4.176 4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.002 -4.482 3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.558 -3.884 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.648 -4.250 4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.610 -5.598 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.105 -7.279 2.067 1.00 0.00 H new ATOM 1164 N ILE A 79 0.655 -1.378 1.659 1.00 0.00 N ATOM 1165 CA ILE A 79 0.887 -1.016 0.267 1.00 0.00 C ATOM 1166 C ILE A 79 1.606 -2.135 -0.479 1.00 0.00 C ATOM 1167 O ILE A 79 2.792 -2.384 -0.254 1.00 0.00 O ATOM 1168 CB ILE A 79 1.715 0.277 0.151 1.00 0.00 C ATOM 1169 CG1 ILE A 79 1.162 1.348 1.094 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.717 0.779 -1.285 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.824 1.355 2.455 1.00 0.00 C ATOM 0 H ILE A 79 1.341 -1.002 2.313 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.092 -0.852 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 79 2.743 0.059 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.288 2.327 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.091 1.191 1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.307 1.694 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.152 0.020 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.694 0.984 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.382 2.139 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.676 0.389 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.892 1.543 2.339 1.00 0.00 H new ATOM 1183 N LEU A 80 0.883 -2.806 -1.369 1.00 0.00 N ATOM 1184 CA LEU A 80 1.452 -3.898 -2.151 1.00 0.00 C ATOM 1185 C LEU A 80 2.333 -3.361 -3.275 1.00 0.00 C ATOM 1186 O LEU A 80 3.331 -3.980 -3.644 1.00 0.00 O ATOM 1187 CB LEU A 80 0.338 -4.770 -2.733 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.610 -5.412 -1.720 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.663 -6.248 -2.430 1.00 0.00 C ATOM 1190 CD2 LEU A 80 0.168 -6.262 -0.726 1.00 0.00 C ATOM 0 H LEU A 80 -0.099 -2.613 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 80 2.069 -4.504 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.252 -4.161 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.796 -5.562 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.116 -4.618 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.329 -6.697 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.241 -5.612 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.176 -7.035 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.523 -6.711 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.701 -7.049 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.883 -5.636 -0.193 1.00 0.00 H new ATOM 1202 N ALA A 81 1.958 -2.206 -3.814 1.00 0.00 N ATOM 1203 CA ALA A 81 2.716 -1.584 -4.893 1.00 0.00 C ATOM 1204 C ALA A 81 2.602 -0.064 -4.839 1.00 0.00 C ATOM 1205 O ALA A 81 1.572 0.476 -4.433 1.00 0.00 O ATOM 1206 CB ALA A 81 2.238 -2.103 -6.241 1.00 0.00 C ATOM 0 H ALA A 81 1.134 -1.682 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 81 3.766 -1.848 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.813 -1.630 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.377 -3.183 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.181 -1.868 -6.367 1.00 0.00 H new ATOM 1212 N ILE A 82 3.665 0.619 -5.249 1.00 0.00 N ATOM 1213 CA ILE A 82 3.683 2.076 -5.247 1.00 0.00 C ATOM 1214 C ILE A 82 4.056 2.624 -6.620 1.00 0.00 C ATOM 1215 O ILE A 82 5.178 2.438 -7.089 1.00 0.00 O ATOM 1216 CB ILE A 82 4.672 2.626 -4.202 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.262 2.179 -2.796 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.739 4.143 -4.283 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.417 2.119 -1.821 1.00 0.00 C ATOM 0 H ILE A 82 4.525 0.187 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 82 2.675 2.403 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 82 5.663 2.227 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.507 2.865 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.797 1.195 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.442 4.516 -3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.072 4.440 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.751 4.562 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.053 1.795 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.163 1.411 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.868 3.107 -1.730 1.00 0.00 H new ATOM 1231 N ASN A 83 3.108 3.301 -7.260 1.00 0.00 N ATOM 1232 CA ASN A 83 3.338 3.877 -8.579 1.00 0.00 C ATOM 1233 C ASN A 83 3.620 2.785 -9.608 1.00 0.00 C ATOM 1234 O ASN A 83 4.571 2.879 -10.384 1.00 0.00 O ATOM 1235 CB ASN A 83 4.507 4.862 -8.532 1.00 0.00 C ATOM 1236 CG ASN A 83 4.059 6.276 -8.215 1.00 0.00 C ATOM 1237 OD1 ASN A 83 2.925 6.659 -8.504 1.00 0.00 O ATOM 1238 ND2 ASN A 83 4.950 7.059 -7.619 1.00 0.00 N ATOM 0 H ASN A 83 2.173 3.464 -6.886 1.00 0.00 H new ATOM 0 HA ASN A 83 2.435 4.409 -8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.225 4.534 -7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.024 4.854 -9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.706 8.021 -7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.878 6.699 -7.398 1.00 0.00 H new ATOM 1245 N HIS A 84 2.785 1.750 -9.608 1.00 0.00 N ATOM 1246 CA HIS A 84 2.944 0.641 -10.542 1.00 0.00 C ATOM 1247 C HIS A 84 4.254 -0.099 -10.290 1.00 0.00 C ATOM 1248 O HIS A 84 5.070 -0.266 -11.197 1.00 0.00 O ATOM 1249 CB HIS A 84 2.901 1.150 -11.983 1.00 0.00 C ATOM 1250 CG HIS A 84 2.673 0.068 -12.994 1.00 0.00 C ATOM 1251 ND1 HIS A 84 2.153 -1.174 -12.858 1.00 0.00 N flip ATOM 1252 CD2 HIS A 84 2.995 0.204 -14.327 1.00 0.00 C flip ATOM 1253 CE1 HIS A 84 2.169 -1.760 -14.101 1.00 0.00 C flip ATOM 1254 NE2 HIS A 84 2.682 -0.907 -14.969 1.00 0.00 N flip ATOM 0 H HIS A 84 1.993 1.657 -8.973 1.00 0.00 H new ATOM 0 HA HIS A 84 2.119 -0.054 -10.385 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.109 1.893 -12.074 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.840 1.655 -12.209 1.00 0.00 H new ATOM 0 HD1 HIS A 84 1.813 -1.596 -11.994 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.435 1.082 -14.777 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.819 -2.756 -14.331 1.00 0.00 H new ATOM 1263 N THR A 85 4.451 -0.539 -9.051 1.00 0.00 N ATOM 1264 CA THR A 85 5.662 -1.259 -8.679 1.00 0.00 C ATOM 1265 C THR A 85 5.475 -2.007 -7.364 1.00 0.00 C ATOM 1266 O THR A 85 5.390 -1.412 -6.290 1.00 0.00 O ATOM 1267 CB THR A 85 6.864 -0.304 -8.546 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.208 0.231 -9.829 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.065 -1.026 -7.953 1.00 0.00 C ATOM 0 H THR A 85 3.787 -0.409 -8.288 1.00 0.00 H new ATOM 0 HA THR A 85 5.862 -1.975 -9.476 1.00 0.00 H new ATOM 0 HB THR A 85 6.582 0.509 -7.877 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.675 -0.212 -10.522 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.901 -0.332 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.809 -1.407 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.346 -1.856 -8.601 1.00 0.00 H new ATOM 1277 N PRO A 86 5.409 -3.344 -7.448 1.00 0.00 N ATOM 1278 CA PRO A 86 5.233 -4.204 -6.273 1.00 0.00 C ATOM 1279 C PRO A 86 6.467 -4.222 -5.378 1.00 0.00 C ATOM 1280 O PRO A 86 7.599 -4.203 -5.864 1.00 0.00 O ATOM 1281 CB PRO A 86 4.991 -5.588 -6.880 1.00 0.00 C ATOM 1282 CG PRO A 86 5.651 -5.538 -8.215 1.00 0.00 C ATOM 1283 CD PRO A 86 5.503 -4.121 -8.696 1.00 0.00 C ATOM 0 HA PRO A 86 4.423 -3.858 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.418 -6.374 -6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.926 -5.799 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.702 -5.818 -8.142 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.183 -6.237 -8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.356 -3.810 -9.299 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.614 -3.997 -9.314 1.00 0.00 H new ATOM 1291 N LEU A 87 6.243 -4.261 -4.070 1.00 0.00 N ATOM 1292 CA LEU A 87 7.337 -4.283 -3.106 1.00 0.00 C ATOM 1293 C LEU A 87 7.749 -5.716 -2.782 1.00 0.00 C ATOM 1294 O LEU A 87 8.058 -6.039 -1.635 1.00 0.00 O ATOM 1295 CB LEU A 87 6.929 -3.555 -1.824 1.00 0.00 C ATOM 1296 CG LEU A 87 6.251 -2.197 -2.010 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.933 -1.570 -0.661 1.00 0.00 C ATOM 1298 CD2 LEU A 87 7.129 -1.271 -2.837 1.00 0.00 C ATOM 0 H LEU A 87 5.313 -4.278 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 87 8.190 -3.771 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.255 -4.201 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.819 -3.413 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 87 5.314 -2.351 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.451 -0.604 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.264 -2.226 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.856 -1.430 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.630 -0.310 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.082 -1.124 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.305 -1.715 -3.817 1.00 0.00 H new ATOM 1310 N ASP A 88 7.751 -6.569 -3.799 1.00 0.00 N ATOM 1311 CA ASP A 88 8.128 -7.967 -3.624 1.00 0.00 C ATOM 1312 C ASP A 88 9.534 -8.082 -3.044 1.00 0.00 C ATOM 1313 O ASP A 88 10.217 -7.078 -2.843 1.00 0.00 O ATOM 1314 CB ASP A 88 8.051 -8.710 -4.959 1.00 0.00 C ATOM 1315 CG ASP A 88 8.819 -8.004 -6.059 1.00 0.00 C ATOM 1316 OD1 ASP A 88 8.750 -6.758 -6.127 1.00 0.00 O ATOM 1317 OD2 ASP A 88 9.490 -8.696 -6.852 1.00 0.00 O ATOM 0 H ASP A 88 7.496 -6.318 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 88 7.427 -8.421 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.446 -9.718 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.007 -8.811 -5.256 1.00 0.00 H new ATOM 1322 N GLN A 89 9.960 -9.313 -2.777 1.00 0.00 N ATOM 1323 CA GLN A 89 11.284 -9.558 -2.218 1.00 0.00 C ATOM 1324 C GLN A 89 12.327 -8.659 -2.874 1.00 0.00 C ATOM 1325 O GLN A 89 13.366 -8.364 -2.285 1.00 0.00 O ATOM 1326 CB GLN A 89 11.673 -11.026 -2.399 1.00 0.00 C ATOM 1327 CG GLN A 89 12.064 -11.381 -3.824 1.00 0.00 C ATOM 1328 CD GLN A 89 12.977 -12.589 -3.896 1.00 0.00 C ATOM 1329 OE1 GLN A 89 12.588 -13.698 -3.527 1.00 0.00 O ATOM 1330 NE2 GLN A 89 14.198 -12.381 -4.373 1.00 0.00 N ATOM 0 H GLN A 89 9.408 -10.155 -2.939 1.00 0.00 H new ATOM 0 HA GLN A 89 11.250 -9.327 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.506 -11.257 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.837 -11.655 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.163 -11.576 -4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.561 -10.527 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.478 -11.445 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.856 -13.157 -4.445 1.00 0.00 H new ATOM 1339 N ASN A 90 12.042 -8.226 -4.098 1.00 0.00 N ATOM 1340 CA ASN A 90 12.956 -7.361 -4.835 1.00 0.00 C ATOM 1341 C ASN A 90 13.165 -6.040 -4.101 1.00 0.00 C ATOM 1342 O ASN A 90 14.294 -5.673 -3.772 1.00 0.00 O ATOM 1343 CB ASN A 90 12.417 -7.096 -6.242 1.00 0.00 C ATOM 1344 CG ASN A 90 12.713 -8.235 -7.198 1.00 0.00 C ATOM 1345 OD1 ASN A 90 12.222 -9.351 -7.023 1.00 0.00 O ATOM 1346 ND2 ASN A 90 13.518 -7.959 -8.217 1.00 0.00 N ATOM 0 H ASN A 90 11.186 -8.460 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 90 13.917 -7.870 -4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.340 -6.938 -6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.856 -6.177 -6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.752 -8.686 -8.893 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.902 -7.020 -8.323 1.00 0.00 H new ATOM 1353 N ILE A 91 12.071 -5.330 -3.848 1.00 0.00 N ATOM 1354 CA ILE A 91 12.134 -4.051 -3.152 1.00 0.00 C ATOM 1355 C ILE A 91 11.937 -4.232 -1.650 1.00 0.00 C ATOM 1356 O ILE A 91 11.055 -4.972 -1.214 1.00 0.00 O ATOM 1357 CB ILE A 91 11.073 -3.068 -3.682 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.629 -2.275 -4.867 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.620 -2.129 -2.574 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.686 -1.207 -5.374 1.00 0.00 C ATOM 0 H ILE A 91 11.130 -5.619 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 91 13.125 -3.639 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 91 10.209 -3.638 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.569 -1.808 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.856 -2.964 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.870 -1.441 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.190 -2.710 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.475 -1.563 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.145 -0.685 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.754 -1.669 -5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.478 -0.496 -4.575 1.00 0.00 H new ATOM 1372 N SER A 92 12.764 -3.550 -0.864 1.00 0.00 N ATOM 1373 CA SER A 92 12.682 -3.637 0.589 1.00 0.00 C ATOM 1374 C SER A 92 11.772 -2.547 1.148 1.00 0.00 C ATOM 1375 O SER A 92 11.238 -1.725 0.403 1.00 0.00 O ATOM 1376 CB SER A 92 14.077 -3.518 1.207 1.00 0.00 C ATOM 1377 OG SER A 92 14.770 -4.752 1.140 1.00 0.00 O ATOM 0 H SER A 92 13.498 -2.931 -1.209 1.00 0.00 H new ATOM 0 HA SER A 92 12.259 -4.608 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.646 -2.749 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.992 -3.201 2.246 1.00 0.00 H new ATOM 0 HG SER A 92 15.659 -4.650 1.539 1.00 0.00 H new ATOM 1383 N HIS A 93 11.599 -2.548 2.466 1.00 0.00 N ATOM 1384 CA HIS A 93 10.753 -1.560 3.127 1.00 0.00 C ATOM 1385 C HIS A 93 11.254 -0.145 2.851 1.00 0.00 C ATOM 1386 O HIS A 93 10.463 0.769 2.621 1.00 0.00 O ATOM 1387 CB HIS A 93 10.716 -1.816 4.634 1.00 0.00 C ATOM 1388 CG HIS A 93 11.786 -1.091 5.391 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.917 -1.713 5.877 1.00 0.00 N ATOM 1390 CD2 HIS A 93 11.894 0.211 5.744 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.673 -0.825 6.497 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.075 0.350 6.431 1.00 0.00 N ATOM 0 H HIS A 93 12.033 -3.221 3.097 1.00 0.00 H new ATOM 0 HA HIS A 93 9.744 -1.654 2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.742 -1.517 5.021 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.816 -2.886 4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.184 0.995 5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.620 -1.026 6.977 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.432 1.220 6.826 1.00 0.00 H new ATOM 1401 N GLN A 94 12.572 0.026 2.878 1.00 0.00 N ATOM 1402 CA GLN A 94 13.177 1.330 2.633 1.00 0.00 C ATOM 1403 C GLN A 94 12.748 1.883 1.278 1.00 0.00 C ATOM 1404 O GLN A 94 12.049 2.893 1.204 1.00 0.00 O ATOM 1405 CB GLN A 94 14.702 1.228 2.695 1.00 0.00 C ATOM 1406 CG GLN A 94 15.225 0.732 4.033 1.00 0.00 C ATOM 1407 CD GLN A 94 16.620 1.238 4.339 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.161 2.077 3.617 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.213 0.730 5.414 1.00 0.00 N ATOM 0 H GLN A 94 13.240 -0.721 3.067 1.00 0.00 H new ATOM 0 HA GLN A 94 12.833 2.013 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.045 0.556 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.132 2.208 2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.546 1.050 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 94 15.230 -0.358 4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.728 0.037 5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.153 1.033 5.669 1.00 0.00 H new ATOM 1418 N GLN A 95 13.171 1.215 0.210 1.00 0.00 N ATOM 1419 CA GLN A 95 12.830 1.641 -1.142 1.00 0.00 C ATOM 1420 C GLN A 95 11.372 2.081 -1.223 1.00 0.00 C ATOM 1421 O GLN A 95 11.054 3.098 -1.839 1.00 0.00 O ATOM 1422 CB GLN A 95 13.089 0.508 -2.137 1.00 0.00 C ATOM 1423 CG GLN A 95 14.494 0.517 -2.717 1.00 0.00 C ATOM 1424 CD GLN A 95 14.822 -0.757 -3.471 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.922 -1.833 -2.881 1.00 0.00 O ATOM 1426 NE2 GLN A 95 14.992 -0.641 -4.783 1.00 0.00 N ATOM 0 H GLN A 95 13.750 0.377 0.255 1.00 0.00 H new ATOM 0 HA GLN A 95 13.462 2.492 -1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.916 -0.447 -1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.368 0.579 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.601 1.369 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.215 0.654 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.900 0.271 -5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.215 -1.464 -5.343 1.00 0.00 H new ATOM 1435 N ALA A 96 10.490 1.309 -0.597 1.00 0.00 N ATOM 1436 CA ALA A 96 9.066 1.620 -0.597 1.00 0.00 C ATOM 1437 C ALA A 96 8.813 3.032 -0.078 1.00 0.00 C ATOM 1438 O ALA A 96 8.034 3.787 -0.660 1.00 0.00 O ATOM 1439 CB ALA A 96 8.303 0.603 0.239 1.00 0.00 C ATOM 0 H ALA A 96 10.737 0.463 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 96 8.708 1.569 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.241 0.848 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.449 -0.394 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.672 0.625 1.265 1.00 0.00 H new ATOM 1445 N ILE A 97 9.475 3.381 1.020 1.00 0.00 N ATOM 1446 CA ILE A 97 9.321 4.701 1.617 1.00 0.00 C ATOM 1447 C ILE A 97 9.799 5.793 0.666 1.00 0.00 C ATOM 1448 O ILE A 97 9.200 6.865 0.585 1.00 0.00 O ATOM 1449 CB ILE A 97 10.098 4.815 2.942 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.701 3.681 3.890 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.846 6.167 3.590 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.490 3.668 5.180 1.00 0.00 C ATOM 0 H ILE A 97 10.123 2.768 1.514 1.00 0.00 H new ATOM 0 HA ILE A 97 8.258 4.834 1.816 1.00 0.00 H new ATOM 0 HB ILE A 97 11.164 4.730 2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.640 3.768 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.838 2.727 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.402 6.232 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.174 6.960 2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.781 6.281 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.156 2.838 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.550 3.550 4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.334 4.607 5.712 1.00 0.00 H new ATOM 1464 N ALA A 98 10.880 5.513 -0.054 1.00 0.00 N ATOM 1465 CA ALA A 98 11.436 6.469 -1.003 1.00 0.00 C ATOM 1466 C ALA A 98 10.419 6.826 -2.082 1.00 0.00 C ATOM 1467 O ALA A 98 9.999 7.978 -2.197 1.00 0.00 O ATOM 1468 CB ALA A 98 12.704 5.912 -1.633 1.00 0.00 C ATOM 0 H ALA A 98 11.389 4.631 0.002 1.00 0.00 H new ATOM 0 HA ALA A 98 11.685 7.380 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.108 6.637 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.441 5.715 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.473 4.985 -2.157 1.00 0.00 H new ATOM 1474 N LEU A 99 10.028 5.831 -2.871 1.00 0.00 N ATOM 1475 CA LEU A 99 9.060 6.040 -3.942 1.00 0.00 C ATOM 1476 C LEU A 99 7.971 7.016 -3.510 1.00 0.00 C ATOM 1477 O LEU A 99 7.482 7.813 -4.312 1.00 0.00 O ATOM 1478 CB LEU A 99 8.433 4.708 -4.356 1.00 0.00 C ATOM 1479 CG LEU A 99 9.409 3.574 -4.668 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.656 2.283 -4.951 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.299 3.944 -5.846 1.00 0.00 C ATOM 0 H LEU A 99 10.366 4.872 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 99 9.586 6.468 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.768 4.379 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.813 4.879 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 99 10.043 3.417 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.368 1.487 -5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.063 2.009 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.996 2.427 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.987 3.125 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.681 4.130 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.867 4.843 -5.605 1.00 0.00 H new ATOM 1493 N LEU A 100 7.597 6.950 -2.237 1.00 0.00 N ATOM 1494 CA LEU A 100 6.567 7.830 -1.696 1.00 0.00 C ATOM 1495 C LEU A 100 7.079 9.262 -1.581 1.00 0.00 C ATOM 1496 O LEU A 100 6.575 10.166 -2.247 1.00 0.00 O ATOM 1497 CB LEU A 100 6.109 7.329 -0.325 1.00 0.00 C ATOM 1498 CG LEU A 100 5.595 5.889 -0.274 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.341 5.464 1.164 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.329 5.745 -1.106 1.00 0.00 C ATOM 0 H LEU A 100 7.991 6.297 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 100 5.720 7.821 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.943 7.421 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.320 7.988 0.036 1.00 0.00 H new ATOM 0 HG LEU A 100 6.359 5.235 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.976 4.437 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.269 5.528 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.596 6.121 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.977 4.714 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.559 6.410 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.543 6.008 -2.142 1.00 0.00 H new ATOM 1512 N GLN A 101 8.083 9.460 -0.733 1.00 0.00 N ATOM 1513 CA GLN A 101 8.664 10.782 -0.533 1.00 0.00 C ATOM 1514 C GLN A 101 9.369 11.264 -1.797 1.00 0.00 C ATOM 1515 O GLN A 101 9.822 12.406 -1.868 1.00 0.00 O ATOM 1516 CB GLN A 101 9.649 10.758 0.637 1.00 0.00 C ATOM 1517 CG GLN A 101 9.087 10.107 1.891 1.00 0.00 C ATOM 1518 CD GLN A 101 9.820 10.534 3.148 1.00 0.00 C ATOM 1519 OE1 GLN A 101 10.217 9.561 3.961 1.00 0.00 O flip ATOM 1520 NE2 GLN A 101 10.027 11.724 3.386 1.00 0.00 N flip ATOM 0 H GLN A 101 8.511 8.722 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 101 7.855 11.475 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.549 10.224 0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.948 11.780 0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.031 10.361 1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.146 9.023 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.704 12.438 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.521 11.996 4.236 1.00 0.00 H new ATOM 1529 N GLN A 102 9.459 10.385 -2.790 1.00 0.00 N ATOM 1530 CA GLN A 102 10.111 10.721 -4.050 1.00 0.00 C ATOM 1531 C GLN A 102 9.130 11.387 -5.010 1.00 0.00 C ATOM 1532 O GLN A 102 9.174 12.600 -5.218 1.00 0.00 O ATOM 1533 CB GLN A 102 10.701 9.466 -4.694 1.00 0.00 C ATOM 1534 CG GLN A 102 12.051 9.065 -4.121 1.00 0.00 C ATOM 1535 CD GLN A 102 12.914 8.324 -5.124 1.00 0.00 C ATOM 1536 OE1 GLN A 102 13.639 7.317 -4.651 1.00 0.00 O flip ATOM 1537 NE2 GLN A 102 12.929 8.653 -6.310 1.00 0.00 N flip ATOM 0 H GLN A 102 9.089 9.436 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 102 10.916 11.424 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.002 8.640 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.806 9.633 -5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.578 9.958 -3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.897 8.435 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.356 9.434 -6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.515 8.145 -6.973 1.00 0.00 H new ATOM 1546 N THR A 103 8.245 10.585 -5.593 1.00 0.00 N ATOM 1547 CA THR A 103 7.254 11.095 -6.532 1.00 0.00 C ATOM 1548 C THR A 103 6.838 12.517 -6.174 1.00 0.00 C ATOM 1549 O THR A 103 6.812 12.891 -5.001 1.00 0.00 O ATOM 1550 CB THR A 103 6.001 10.199 -6.568 1.00 0.00 C ATOM 1551 OG1 THR A 103 5.457 10.172 -7.893 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.948 10.702 -5.592 1.00 0.00 C ATOM 0 H THR A 103 8.194 9.579 -5.431 1.00 0.00 H new ATOM 0 HA THR A 103 7.721 11.093 -7.517 1.00 0.00 H new ATOM 0 HB THR A 103 6.293 9.191 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.487 10.040 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.073 10.054 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.356 10.695 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.660 11.719 -5.860 1.00 0.00 H new ATOM 1560 N THR A 104 6.512 13.308 -7.192 1.00 0.00 N ATOM 1561 CA THR A 104 6.098 14.689 -6.984 1.00 0.00 C ATOM 1562 C THR A 104 4.751 14.964 -7.643 1.00 0.00 C ATOM 1563 O THR A 104 4.352 16.117 -7.805 1.00 0.00 O ATOM 1564 CB THR A 104 7.140 15.678 -7.540 1.00 0.00 C ATOM 1565 OG1 THR A 104 8.447 15.326 -7.073 1.00 0.00 O ATOM 1566 CG2 THR A 104 6.813 17.103 -7.118 1.00 0.00 C ATOM 0 H THR A 104 6.527 13.015 -8.169 1.00 0.00 H new ATOM 0 HA THR A 104 6.009 14.834 -5.907 1.00 0.00 H new ATOM 0 HB THR A 104 7.116 15.623 -8.628 1.00 0.00 H new ATOM 0 HG1 THR A 104 9.104 15.958 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.563 17.783 -7.522 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.830 17.379 -7.499 1.00 0.00 H new ATOM 0 HG23 THR A 104 6.812 17.169 -6.030 1.00 0.00 H new ATOM 1574 N GLY A 105 4.053 13.897 -8.020 1.00 0.00 N ATOM 1575 CA GLY A 105 2.757 14.046 -8.657 1.00 0.00 C ATOM 1576 C GLY A 105 1.855 12.851 -8.420 1.00 0.00 C ATOM 1577 O GLY A 105 1.924 12.210 -7.372 1.00 0.00 O ATOM 0 H GLY A 105 4.361 12.933 -7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.271 14.945 -8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.896 14.186 -9.729 1.00 0.00 H new ATOM 1581 N SER A 106 1.004 12.552 -9.397 1.00 0.00 N ATOM 1582 CA SER A 106 0.080 11.429 -9.288 1.00 0.00 C ATOM 1583 C SER A 106 0.734 10.255 -8.566 1.00 0.00 C ATOM 1584 O SER A 106 1.732 9.703 -9.031 1.00 0.00 O ATOM 1585 CB SER A 106 -0.390 10.991 -10.676 1.00 0.00 C ATOM 1586 OG SER A 106 0.708 10.810 -11.553 1.00 0.00 O ATOM 0 H SER A 106 0.935 13.071 -10.272 1.00 0.00 H new ATOM 0 HA SER A 106 -0.782 11.756 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.953 10.061 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.068 11.739 -11.087 1.00 0.00 H new ATOM 0 HG SER A 106 1.488 10.508 -11.043 1.00 0.00 H new ATOM 1592 N LEU A 107 0.165 9.878 -7.426 1.00 0.00 N ATOM 1593 CA LEU A 107 0.691 8.769 -6.639 1.00 0.00 C ATOM 1594 C LEU A 107 -0.383 7.713 -6.399 1.00 0.00 C ATOM 1595 O LEU A 107 -1.416 7.990 -5.789 1.00 0.00 O ATOM 1596 CB LEU A 107 1.229 9.278 -5.300 1.00 0.00 C ATOM 1597 CG LEU A 107 1.773 8.214 -4.347 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.047 7.599 -4.905 1.00 0.00 C ATOM 1599 CD2 LEU A 107 2.026 8.811 -2.970 1.00 0.00 C ATOM 0 H LEU A 107 -0.661 10.324 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 107 1.505 8.312 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.023 9.998 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.430 9.818 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 107 1.026 7.426 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.420 6.844 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.836 7.136 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.800 8.376 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.413 8.039 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.754 9.618 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.093 9.203 -2.566 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.131 6.500 -6.882 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.076 5.402 -6.720 1.00 0.00 C ATOM 1613 C ARG A 108 -0.502 4.321 -5.809 1.00 0.00 C ATOM 1614 O ARG A 108 0.606 3.830 -6.031 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.431 4.801 -8.081 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.754 4.053 -8.090 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.745 2.918 -9.103 1.00 0.00 C ATOM 1618 NE ARG A 108 -3.137 3.371 -10.435 1.00 0.00 N ATOM 1619 CZ ARG A 108 -3.592 2.559 -11.383 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -3.713 1.260 -11.146 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -3.928 3.046 -12.571 1.00 0.00 N ATOM 0 H ARG A 108 0.719 6.253 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.980 5.799 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.470 5.599 -8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.636 4.120 -8.387 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.954 3.653 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.563 4.745 -8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.748 2.480 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.424 2.132 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.057 4.365 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.457 0.882 -10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.063 0.639 -11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.837 4.045 -12.757 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.277 2.422 -13.298 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.262 3.955 -4.783 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.829 2.932 -3.837 1.00 0.00 C ATOM 1637 C LEU A 109 -1.850 1.802 -3.751 1.00 0.00 C ATOM 1638 O LEU A 109 -2.952 1.986 -3.234 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.615 3.547 -2.453 1.00 0.00 C ATOM 1640 CG LEU A 109 0.251 4.806 -2.404 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.353 5.330 -0.980 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.635 4.523 -2.970 1.00 0.00 C ATOM 0 H LEU A 109 -2.181 4.351 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 109 0.114 2.518 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.590 3.785 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.162 2.793 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.222 5.573 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.973 6.226 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.643 5.572 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.802 4.568 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.238 5.430 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.115 3.740 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.545 4.196 -4.006 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.476 0.633 -4.260 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.358 -0.527 -4.238 1.00 0.00 C ATOM 1656 C ILE A 110 -2.301 -1.235 -2.889 1.00 0.00 C ATOM 1657 O ILE A 110 -1.350 -1.959 -2.595 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.995 -1.531 -5.348 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.144 -0.880 -6.724 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.870 -2.772 -5.246 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.390 -1.601 -7.819 1.00 0.00 C ATOM 0 H ILE A 110 -0.568 0.464 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.369 -0.158 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.955 -1.831 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.201 -0.842 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.792 0.150 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.602 -3.472 -6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.719 -3.245 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.917 -2.489 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.541 -1.084 -8.766 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.327 -1.616 -7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.758 -2.624 -7.901 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.328 -1.023 -2.071 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.397 -1.643 -0.754 1.00 0.00 C ATOM 1675 C VAL A 111 -4.425 -2.769 -0.729 1.00 0.00 C ATOM 1676 O VAL A 111 -5.302 -2.841 -1.589 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.755 -0.613 0.334 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.749 0.528 0.340 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.167 -0.088 0.126 1.00 0.00 C ATOM 0 H VAL A 111 -4.123 -0.426 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.408 -2.052 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.715 -1.107 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.018 1.246 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.753 0.134 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.755 1.023 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.403 0.638 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.237 0.390 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.874 -0.916 0.176 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.311 -3.646 0.263 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.232 -4.767 0.401 1.00 0.00 C ATOM 1691 C ALA A 112 -6.129 -4.593 1.622 1.00 0.00 C ATOM 1692 O ALA A 112 -5.865 -3.754 2.484 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.461 -6.075 0.492 1.00 0.00 C ATOM 0 H ALA A 112 -3.590 -3.602 0.983 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.868 -4.794 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.161 -6.904 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.868 -6.211 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.801 -6.049 1.359 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.190 -5.390 1.690 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.127 -5.323 2.805 1.00 0.00 C ATOM 1701 C ARG A 113 -8.355 -6.706 3.407 1.00 0.00 C ATOM 1702 O ARG A 113 -8.107 -7.723 2.761 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.459 -4.729 2.344 1.00 0.00 C ATOM 1704 CG ARG A 113 -9.307 -3.587 1.353 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.213 -2.244 2.060 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.753 -1.158 1.247 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.637 0.126 1.565 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -9.004 0.483 2.674 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -10.155 1.057 0.774 1.00 0.00 N ATOM 0 H ARG A 113 -7.422 -6.090 0.986 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.696 -4.679 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.060 -5.516 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.009 -4.372 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.413 -3.745 0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.156 -3.581 0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.754 -2.293 3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.171 -2.033 2.300 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.247 -1.399 0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.605 -0.229 3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.916 1.470 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.643 0.787 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.065 2.043 1.020 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.829 -6.734 4.649 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.089 -7.993 5.338 1.00 0.00 C ATOM 1725 C GLU A 114 -10.494 -8.502 5.030 1.00 0.00 C ATOM 1726 O GLU A 114 -11.497 -7.870 5.361 1.00 0.00 O ATOM 1727 CB GLU A 114 -8.919 -7.817 6.849 1.00 0.00 C ATOM 1728 CG GLU A 114 -8.460 -9.078 7.561 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.102 -8.831 9.013 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -8.983 -8.372 9.771 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -6.943 -9.096 9.393 1.00 0.00 O ATOM 0 H GLU A 114 -9.040 -5.901 5.198 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.368 -8.729 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.197 -7.022 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.867 -7.493 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.249 -9.828 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.594 -9.489 7.042 1.00 0.00 H new