USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 833 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 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 GLN : amide:sc= -7.52! C(o=-7.5!,f=-13!) USER MOD Set 2.1: A 83 THR OG1 : rot 160:sc= -2.79! USER MOD Set 2.2: A 86 GLN : amide:sc= -4.54! C(o=-7.3!,f=-9.3!) USER MOD Set 3.1: A 76 SER OG : rot 180:sc= 0.251 USER MOD Set 3.2: A 78 ASN : amide:sc= -2.27 K(o=-1.8,f=-2.9!) USER MOD Set 3.3: A 87 CYS SG : rot -54:sc= 0.261 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0966 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc=-0.00752 X(o=-0.0075,f=-0.013) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.0072) USER MOD Single : A 67 ASN : amide:sc=-0.00277 K(o=-0.0028,f=-1.7) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= 0.0238 USER MOD Single : A 79 SER OG : rot 93:sc= 0.383 USER MOD Single : A 81 GLN : amide:sc= -0.705 K(o=-0.71,f=-2.4!) USER MOD Single : A 89 THR OG1 : rot 74:sc= 0.289 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.519) USER MOD Single : A 97 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.037) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -50:sc= 0.37 USER MOD Single : A 106 MET CE :methyl 160:sc= -0.729 (180deg=-1.93) USER MOD Single : A 108 HIS : no HE2:sc= -0.206 X(o=-0.21,f=-0.56) USER MOD Single : A 116 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.18) USER MOD Single : A 117 ASN : amide:sc= -3.91! C(o=-3.9!,f=-4!) USER MOD Single : A 120 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -2.690 15.642 -2.085 1.00 0.00 N ATOM 123 CA VAL A 12 -3.430 15.011 -0.999 1.00 0.00 C ATOM 124 C VAL A 12 -4.872 14.731 -1.407 1.00 0.00 C ATOM 125 O VAL A 12 -5.438 13.698 -1.052 1.00 0.00 O ATOM 126 CB VAL A 12 -3.428 15.890 0.266 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.469 15.398 1.259 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.044 15.909 0.898 1.00 0.00 C ATOM 0 HA VAL A 12 -2.928 14.069 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.687 16.910 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.453 16.031 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.457 15.440 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.244 14.370 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.060 16.535 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.755 14.894 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.324 16.312 0.186 1.00 0.00 H new ATOM 138 N GLN A 13 -5.460 15.659 -2.156 1.00 0.00 N ATOM 139 CA GLN A 13 -6.837 15.511 -2.613 1.00 0.00 C ATOM 140 C GLN A 13 -6.916 14.570 -3.810 1.00 0.00 C ATOM 141 O GLN A 13 -7.654 13.586 -3.790 1.00 0.00 O ATOM 142 CB GLN A 13 -7.423 16.875 -2.982 1.00 0.00 C ATOM 143 CG GLN A 13 -8.795 16.792 -3.632 1.00 0.00 C ATOM 144 CD GLN A 13 -9.483 18.140 -3.716 1.00 0.00 C ATOM 145 OE1 GLN A 13 -10.329 18.472 -2.885 1.00 0.00 O ATOM 146 NE2 GLN A 13 -9.123 18.927 -4.724 1.00 0.00 N ATOM 0 H GLN A 13 -5.005 16.520 -2.459 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.419 15.081 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.493 17.487 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.739 17.384 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.693 16.377 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.421 16.104 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.418 18.612 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.552 19.846 -4.832 1.00 0.00 H new ATOM 155 N GLU A 14 -6.150 14.880 -4.852 1.00 0.00 N ATOM 156 CA GLU A 14 -6.135 14.062 -6.059 1.00 0.00 C ATOM 157 C GLU A 14 -6.000 12.582 -5.711 1.00 0.00 C ATOM 158 O GLU A 14 -6.508 11.718 -6.424 1.00 0.00 O ATOM 159 CB GLU A 14 -4.987 14.488 -6.976 1.00 0.00 C ATOM 160 CG GLU A 14 -3.686 13.753 -6.705 1.00 0.00 C ATOM 161 CD GLU A 14 -2.555 14.217 -7.602 1.00 0.00 C ATOM 162 OE1 GLU A 14 -2.769 15.171 -8.380 1.00 0.00 O ATOM 163 OE2 GLU A 14 -1.457 13.628 -7.527 1.00 0.00 O ATOM 0 H GLU A 14 -5.532 15.691 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.081 14.211 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.280 14.320 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.820 15.559 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.401 13.899 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.841 12.683 -6.846 1.00 0.00 H new ATOM 170 N GLU A 15 -5.310 12.299 -4.610 1.00 0.00 N ATOM 171 CA GLU A 15 -5.107 10.925 -4.169 1.00 0.00 C ATOM 172 C GLU A 15 -6.386 10.352 -3.566 1.00 0.00 C ATOM 173 O GLU A 15 -6.799 9.239 -3.897 1.00 0.00 O ATOM 174 CB GLU A 15 -3.973 10.857 -3.144 1.00 0.00 C ATOM 175 CG GLU A 15 -3.317 9.489 -3.051 1.00 0.00 C ATOM 176 CD GLU A 15 -1.939 9.545 -2.421 1.00 0.00 C ATOM 177 OE1 GLU A 15 -1.833 10.002 -1.264 1.00 0.00 O ATOM 178 OE2 GLU A 15 -0.966 9.130 -3.085 1.00 0.00 O ATOM 0 H GLU A 15 -4.883 13.003 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.837 10.328 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.216 11.597 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.364 11.131 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.953 8.824 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.239 9.059 -4.050 1.00 0.00 H new ATOM 185 N LEU A 16 -7.010 11.119 -2.679 1.00 0.00 N ATOM 186 CA LEU A 16 -8.243 10.689 -2.028 1.00 0.00 C ATOM 187 C LEU A 16 -9.344 10.445 -3.055 1.00 0.00 C ATOM 188 O LEU A 16 -10.234 9.622 -2.842 1.00 0.00 O ATOM 189 CB LEU A 16 -8.700 11.738 -1.013 1.00 0.00 C ATOM 190 CG LEU A 16 -7.820 11.900 0.227 1.00 0.00 C ATOM 191 CD1 LEU A 16 -8.214 13.148 1.002 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.915 10.667 1.113 1.00 0.00 C ATOM 0 H LEU A 16 -6.683 12.042 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.043 9.752 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.761 12.702 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.709 11.484 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.785 12.011 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.577 13.247 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.093 14.025 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.255 13.068 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.282 10.800 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.948 10.525 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.582 9.792 0.555 1.00 0.00 H new ATOM 204 N SER A 17 -9.276 11.165 -4.171 1.00 0.00 N ATOM 205 CA SER A 17 -10.268 11.028 -5.231 1.00 0.00 C ATOM 206 C SER A 17 -9.881 9.912 -6.196 1.00 0.00 C ATOM 207 O SER A 17 -10.571 8.898 -6.301 1.00 0.00 O ATOM 208 CB SER A 17 -10.418 12.347 -5.991 1.00 0.00 C ATOM 209 OG SER A 17 -11.009 13.342 -5.174 1.00 0.00 O ATOM 0 H SER A 17 -8.544 11.849 -4.364 1.00 0.00 H new ATOM 0 HA SER A 17 -11.222 10.772 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.440 12.686 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.030 12.191 -6.879 1.00 0.00 H new ATOM 0 HG SER A 17 -11.092 14.176 -5.682 1.00 0.00 H new ATOM 215 N VAL A 18 -8.771 10.107 -6.901 1.00 0.00 N ATOM 216 CA VAL A 18 -8.289 9.118 -7.858 1.00 0.00 C ATOM 217 C VAL A 18 -8.450 7.703 -7.314 1.00 0.00 C ATOM 218 O VAL A 18 -8.629 6.750 -8.074 1.00 0.00 O ATOM 219 CB VAL A 18 -6.809 9.354 -8.213 1.00 0.00 C ATOM 220 CG1 VAL A 18 -5.917 9.038 -7.023 1.00 0.00 C ATOM 221 CG2 VAL A 18 -6.412 8.522 -9.423 1.00 0.00 C ATOM 0 H VAL A 18 -8.189 10.941 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.893 9.229 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.678 10.406 -8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.875 9.211 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.186 9.682 -6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.049 7.995 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.363 8.701 -9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.558 7.465 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.030 8.803 -10.276 1.00 0.00 H new ATOM 231 N LEU A 19 -8.385 7.572 -5.994 1.00 0.00 N ATOM 232 CA LEU A 19 -8.524 6.272 -5.346 1.00 0.00 C ATOM 233 C LEU A 19 -9.995 5.907 -5.169 1.00 0.00 C ATOM 234 O LEU A 19 -10.415 4.801 -5.510 1.00 0.00 O ATOM 235 CB LEU A 19 -7.822 6.280 -3.987 1.00 0.00 C ATOM 236 CG LEU A 19 -6.298 6.164 -4.018 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.718 6.365 -2.627 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.878 4.815 -4.583 1.00 0.00 C ATOM 0 H LEU A 19 -8.237 8.350 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.057 5.523 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.086 7.203 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.217 5.457 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.907 6.946 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.632 6.279 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.989 7.355 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.116 5.606 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.790 4.750 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.281 4.018 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.262 4.710 -5.598 1.00 0.00 H new ATOM 250 N ALA A 20 -10.772 6.843 -4.636 1.00 0.00 N ATOM 251 CA ALA A 20 -12.196 6.621 -4.418 1.00 0.00 C ATOM 252 C ALA A 20 -12.850 6.004 -5.650 1.00 0.00 C ATOM 253 O ALA A 20 -13.864 5.315 -5.546 1.00 0.00 O ATOM 254 CB ALA A 20 -12.884 7.927 -4.051 1.00 0.00 C ATOM 0 H ALA A 20 -10.439 7.763 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.307 5.920 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.947 7.746 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.443 8.327 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.756 8.646 -4.861 1.00 0.00 H new ATOM 260 N ALA A 21 -12.263 6.257 -6.815 1.00 0.00 N ATOM 261 CA ALA A 21 -12.789 5.726 -8.066 1.00 0.00 C ATOM 262 C ALA A 21 -12.598 4.215 -8.144 1.00 0.00 C ATOM 263 O ALA A 21 -13.562 3.466 -8.303 1.00 0.00 O ATOM 264 CB ALA A 21 -12.119 6.406 -9.251 1.00 0.00 C ATOM 0 H ALA A 21 -11.423 6.826 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.859 5.933 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.521 6.000 -10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.311 7.478 -9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.044 6.228 -9.213 1.00 0.00 H new ATOM 270 N ILE A 22 -11.350 3.774 -8.031 1.00 0.00 N ATOM 271 CA ILE A 22 -11.034 2.352 -8.089 1.00 0.00 C ATOM 272 C ILE A 22 -11.725 1.590 -6.963 1.00 0.00 C ATOM 273 O ILE A 22 -12.316 0.533 -7.186 1.00 0.00 O ATOM 274 CB ILE A 22 -9.516 2.109 -8.001 1.00 0.00 C ATOM 275 CG1 ILE A 22 -8.800 2.791 -9.169 1.00 0.00 C ATOM 276 CG2 ILE A 22 -9.218 0.617 -7.990 1.00 0.00 C ATOM 277 CD1 ILE A 22 -7.307 2.925 -8.967 1.00 0.00 C ATOM 0 H ILE A 22 -10.541 4.381 -7.899 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.397 1.986 -9.049 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.147 2.541 -7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.986 2.222 -10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.229 3.782 -9.319 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.141 0.462 -7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.702 0.156 -7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.598 0.163 -8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.865 3.417 -9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.113 3.519 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.866 1.935 -8.848 1.00 0.00 H new ATOM 376 N GLU A 28 -15.540 -1.311 -0.145 1.00 0.00 N ATOM 377 CA GLU A 28 -14.146 -1.374 -0.569 1.00 0.00 C ATOM 378 C GLU A 28 -13.387 -0.124 -0.132 1.00 0.00 C ATOM 379 O GLU A 28 -12.192 -0.181 0.158 1.00 0.00 O ATOM 380 CB GLU A 28 -14.058 -1.532 -2.089 1.00 0.00 C ATOM 381 CG GLU A 28 -14.303 -2.953 -2.568 1.00 0.00 C ATOM 382 CD GLU A 28 -13.187 -3.901 -2.177 1.00 0.00 C ATOM 383 OE1 GLU A 28 -13.153 -4.324 -1.002 1.00 0.00 O ATOM 384 OE2 GLU A 28 -12.348 -4.221 -3.044 1.00 0.00 O ATOM 0 HA GLU A 28 -13.688 -2.241 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.785 -0.869 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.072 -1.210 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.244 -3.315 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.411 -2.953 -3.653 1.00 0.00 H new ATOM 391 N TRP A 29 -14.090 1.002 -0.088 1.00 0.00 N ATOM 392 CA TRP A 29 -13.483 2.266 0.313 1.00 0.00 C ATOM 393 C TRP A 29 -13.920 2.657 1.720 1.00 0.00 C ATOM 394 O TRP A 29 -15.044 3.113 1.926 1.00 0.00 O ATOM 395 CB TRP A 29 -13.857 3.371 -0.676 1.00 0.00 C ATOM 396 CG TRP A 29 -13.476 4.742 -0.207 1.00 0.00 C ATOM 397 CD1 TRP A 29 -14.321 5.777 0.074 1.00 0.00 C ATOM 398 CD2 TRP A 29 -12.150 5.227 0.034 1.00 0.00 C ATOM 399 NE1 TRP A 29 -13.601 6.877 0.475 1.00 0.00 N ATOM 400 CE2 TRP A 29 -12.268 6.565 0.460 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.877 4.662 -0.066 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -11.159 7.343 0.782 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -9.777 5.435 0.254 1.00 0.00 C ATOM 404 CH2 TRP A 29 -9.924 6.764 0.675 1.00 0.00 C ATOM 0 H TRP A 29 -15.080 1.066 -0.325 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.401 2.138 0.311 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.371 3.173 -1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.932 3.341 -0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -15.397 5.737 -0.007 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -13.996 7.779 0.741 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.754 3.638 -0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.270 8.368 1.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.788 5.008 0.178 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.045 7.342 0.920 1.00 0.00 H new ATOM 415 N GLU A 30 -13.024 2.476 2.685 1.00 0.00 N ATOM 416 CA GLU A 30 -13.319 2.810 4.074 1.00 0.00 C ATOM 417 C GLU A 30 -12.260 3.749 4.644 1.00 0.00 C ATOM 418 O GLU A 30 -11.132 3.338 4.916 1.00 0.00 O ATOM 419 CB GLU A 30 -13.400 1.539 4.922 1.00 0.00 C ATOM 420 CG GLU A 30 -14.194 1.713 6.205 1.00 0.00 C ATOM 421 CD GLU A 30 -14.666 0.392 6.783 1.00 0.00 C ATOM 422 OE1 GLU A 30 -15.102 -0.477 5.999 1.00 0.00 O ATOM 423 OE2 GLU A 30 -14.599 0.229 8.019 1.00 0.00 O ATOM 0 H GLU A 30 -12.088 2.100 2.531 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.283 3.318 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.854 0.745 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.390 1.214 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.578 2.228 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.057 2.349 6.010 1.00 0.00 H new ATOM 430 N VAL A 31 -12.632 5.013 4.822 1.00 0.00 N ATOM 431 CA VAL A 31 -11.716 6.011 5.361 1.00 0.00 C ATOM 432 C VAL A 31 -12.052 6.340 6.811 1.00 0.00 C ATOM 433 O VAL A 31 -13.003 7.071 7.089 1.00 0.00 O ATOM 434 CB VAL A 31 -11.748 7.308 4.531 1.00 0.00 C ATOM 435 CG1 VAL A 31 -13.174 7.815 4.388 1.00 0.00 C ATOM 436 CG2 VAL A 31 -10.857 8.367 5.163 1.00 0.00 C ATOM 0 H VAL A 31 -13.562 5.370 4.601 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.715 5.581 5.312 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.364 7.091 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.177 8.732 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.780 7.060 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.589 8.017 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.892 9.277 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.209 8.584 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.831 8.000 5.207 1.00 0.00 H new ATOM 446 N LEU A 32 -11.264 5.796 7.733 1.00 0.00 N ATOM 447 CA LEU A 32 -11.477 6.032 9.156 1.00 0.00 C ATOM 448 C LEU A 32 -11.848 7.488 9.418 1.00 0.00 C ATOM 449 O LEU A 32 -12.904 7.780 9.980 1.00 0.00 O ATOM 450 CB LEU A 32 -10.221 5.664 9.948 1.00 0.00 C ATOM 451 CG LEU A 32 -9.624 4.286 9.657 1.00 0.00 C ATOM 452 CD1 LEU A 32 -8.325 4.095 10.423 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.619 3.189 10.007 1.00 0.00 C ATOM 0 H LEU A 32 -10.472 5.189 7.520 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.304 5.401 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.458 6.417 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.457 5.719 11.011 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.405 4.223 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.915 3.109 10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.610 4.861 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.518 4.178 11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.177 2.216 9.794 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.870 3.249 11.066 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.524 3.315 9.412 1.00 0.00 H new ATOM 465 N SER A 33 -10.973 8.400 9.003 1.00 0.00 N ATOM 466 CA SER A 33 -11.208 9.826 9.194 1.00 0.00 C ATOM 467 C SER A 33 -10.422 10.647 8.175 1.00 0.00 C ATOM 468 O SER A 33 -9.370 10.220 7.697 1.00 0.00 O ATOM 469 CB SER A 33 -10.817 10.244 10.613 1.00 0.00 C ATOM 470 OG SER A 33 -11.638 9.607 11.576 1.00 0.00 O ATOM 0 H SER A 33 -10.096 8.176 8.533 1.00 0.00 H new ATOM 0 HA SER A 33 -12.271 10.017 9.047 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.773 9.990 10.796 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.905 11.326 10.714 1.00 0.00 H new ATOM 0 HG SER A 33 -11.367 9.889 12.475 1.00 0.00 H new ATOM 476 N ARG A 34 -10.940 11.826 7.849 1.00 0.00 N ATOM 477 CA ARG A 34 -10.288 12.706 6.886 1.00 0.00 C ATOM 478 C ARG A 34 -10.300 14.151 7.377 1.00 0.00 C ATOM 479 O ARG A 34 -11.354 14.784 7.450 1.00 0.00 O ATOM 480 CB ARG A 34 -10.982 12.612 5.526 1.00 0.00 C ATOM 481 CG ARG A 34 -12.492 12.764 5.601 1.00 0.00 C ATOM 482 CD ARG A 34 -13.177 11.421 5.801 1.00 0.00 C ATOM 483 NE ARG A 34 -14.627 11.557 5.910 1.00 0.00 N ATOM 484 CZ ARG A 34 -15.410 10.649 6.483 1.00 0.00 C ATOM 485 NH1 ARG A 34 -14.884 9.545 6.995 1.00 0.00 N ATOM 486 NH2 ARG A 34 -16.721 10.845 6.544 1.00 0.00 N ATOM 0 H ARG A 34 -11.809 12.194 8.237 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.252 12.384 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -10.580 13.383 4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.744 11.650 5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.751 13.432 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.858 13.228 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.936 10.763 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.789 10.947 6.702 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.063 12.395 5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.877 9.391 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.487 8.849 7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.129 11.693 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.321 10.147 6.984 1.00 0.00 H new ATOM 552 N GLY A 39 -4.700 15.634 9.659 1.00 0.00 N ATOM 553 CA GLY A 39 -4.204 14.541 8.843 1.00 0.00 C ATOM 554 C GLY A 39 -5.321 13.691 8.272 1.00 0.00 C ATOM 555 O GLY A 39 -6.478 13.819 8.674 1.00 0.00 O ATOM 0 HA2 GLY A 39 -3.605 14.944 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.545 13.914 9.443 1.00 0.00 H new ATOM 559 N THR A 40 -4.976 12.820 7.328 1.00 0.00 N ATOM 560 CA THR A 40 -5.958 11.947 6.698 1.00 0.00 C ATOM 561 C THR A 40 -5.553 10.483 6.823 1.00 0.00 C ATOM 562 O THR A 40 -4.451 10.097 6.432 1.00 0.00 O ATOM 563 CB THR A 40 -6.141 12.291 5.208 1.00 0.00 C ATOM 564 OG1 THR A 40 -6.416 13.689 5.058 1.00 0.00 O ATOM 565 CG2 THR A 40 -7.275 11.479 4.600 1.00 0.00 C ATOM 0 H THR A 40 -4.023 12.701 6.983 1.00 0.00 H new ATOM 0 HA THR A 40 -6.902 12.106 7.219 1.00 0.00 H new ATOM 0 HB THR A 40 -5.217 12.044 4.685 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.529 13.900 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.385 11.739 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.050 10.416 4.689 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.203 11.699 5.127 1.00 0.00 H new ATOM 573 N VAL A 41 -6.451 9.670 7.371 1.00 0.00 N ATOM 574 CA VAL A 41 -6.187 8.246 7.545 1.00 0.00 C ATOM 575 C VAL A 41 -7.344 7.404 7.018 1.00 0.00 C ATOM 576 O VAL A 41 -8.503 7.640 7.358 1.00 0.00 O ATOM 577 CB VAL A 41 -5.946 7.898 9.026 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.627 6.419 9.182 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.829 8.756 9.600 1.00 0.00 C ATOM 0 H VAL A 41 -7.367 9.973 7.702 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.287 8.018 6.974 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.858 8.109 9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.460 6.192 10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.463 5.825 8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.730 6.178 8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.672 8.497 10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.910 8.579 9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.103 9.808 9.524 1.00 0.00 H new ATOM 589 N PHE A 42 -7.020 6.421 6.185 1.00 0.00 N ATOM 590 CA PHE A 42 -8.032 5.543 5.610 1.00 0.00 C ATOM 591 C PHE A 42 -7.476 4.137 5.398 1.00 0.00 C ATOM 592 O PHE A 42 -6.262 3.939 5.354 1.00 0.00 O ATOM 593 CB PHE A 42 -8.534 6.110 4.281 1.00 0.00 C ATOM 594 CG PHE A 42 -7.463 6.222 3.234 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.889 5.085 2.688 1.00 0.00 C ATOM 596 CD2 PHE A 42 -7.031 7.463 2.795 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.902 5.185 1.725 1.00 0.00 C ATOM 598 CE2 PHE A 42 -6.045 7.569 1.832 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.481 6.428 1.295 1.00 0.00 C ATOM 0 H PHE A 42 -6.065 6.212 5.893 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.865 5.484 6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.335 5.474 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.965 7.096 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.216 4.110 3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.470 8.358 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.460 4.291 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.716 8.543 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.712 6.508 0.540 1.00 0.00 H new ATOM 609 N ARG A 43 -8.374 3.166 5.268 1.00 0.00 N ATOM 610 CA ARG A 43 -7.974 1.779 5.062 1.00 0.00 C ATOM 611 C ARG A 43 -8.882 1.097 4.043 1.00 0.00 C ATOM 612 O ARG A 43 -10.107 1.191 4.128 1.00 0.00 O ATOM 613 CB ARG A 43 -8.011 1.014 6.387 1.00 0.00 C ATOM 614 CG ARG A 43 -7.789 -0.482 6.233 1.00 0.00 C ATOM 615 CD ARG A 43 -8.450 -1.262 7.358 1.00 0.00 C ATOM 616 NE ARG A 43 -8.857 -2.598 6.931 1.00 0.00 N ATOM 617 CZ ARG A 43 -9.693 -3.367 7.621 1.00 0.00 C ATOM 618 NH1 ARG A 43 -10.206 -2.934 8.764 1.00 0.00 N ATOM 619 NH2 ARG A 43 -10.016 -4.571 7.168 1.00 0.00 N ATOM 0 H ARG A 43 -9.383 3.314 5.302 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.955 1.774 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.249 1.419 7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.975 1.182 6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.189 -0.814 5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.720 -0.693 6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.759 -1.344 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.322 -0.714 7.716 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.479 -2.961 6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.959 -2.009 9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.847 -3.526 9.292 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.623 -4.908 6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.658 -5.160 7.698 1.00 0.00 H new ATOM 633 N ILE A 44 -8.273 0.411 3.082 1.00 0.00 N ATOM 634 CA ILE A 44 -9.027 -0.287 2.047 1.00 0.00 C ATOM 635 C ILE A 44 -8.566 -1.734 1.914 1.00 0.00 C ATOM 636 O ILE A 44 -7.387 -2.041 2.095 1.00 0.00 O ATOM 637 CB ILE A 44 -8.889 0.412 0.682 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.431 0.800 0.428 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.788 1.638 0.622 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.523 -0.385 0.189 1.00 0.00 C ATOM 0 H ILE A 44 -7.260 0.323 2.998 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.074 -0.268 2.351 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.201 -0.282 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.385 1.463 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.060 1.365 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.680 2.122 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.826 1.336 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.504 2.337 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.505 -0.035 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.539 -1.037 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.869 -0.938 -0.684 1.00 0.00 H new ATOM 652 N HIS A 45 -9.503 -2.621 1.594 1.00 0.00 N ATOM 653 CA HIS A 45 -9.193 -4.037 1.433 1.00 0.00 C ATOM 654 C HIS A 45 -8.797 -4.346 -0.008 1.00 0.00 C ATOM 655 O HIS A 45 -9.549 -4.070 -0.943 1.00 0.00 O ATOM 656 CB HIS A 45 -10.393 -4.893 1.839 1.00 0.00 C ATOM 657 CG HIS A 45 -10.013 -6.235 2.387 1.00 0.00 C ATOM 658 ND1 HIS A 45 -10.444 -7.422 1.834 1.00 0.00 N ATOM 659 CD2 HIS A 45 -9.237 -6.573 3.443 1.00 0.00 C ATOM 660 CE1 HIS A 45 -9.951 -8.433 2.527 1.00 0.00 C ATOM 661 NE2 HIS A 45 -9.214 -7.944 3.509 1.00 0.00 N ATOM 0 H HIS A 45 -10.483 -2.384 1.441 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.350 -4.275 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.976 -4.356 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -11.039 -5.033 0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.730 -5.891 4.110 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.121 -9.480 2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.710 -8.496 4.203 1.00 0.00 H new ATOM 670 N THR A 46 -7.611 -4.921 -0.180 1.00 0.00 N ATOM 671 CA THR A 46 -7.114 -5.266 -1.506 1.00 0.00 C ATOM 672 C THR A 46 -6.640 -6.714 -1.557 1.00 0.00 C ATOM 673 O THR A 46 -6.227 -7.279 -0.544 1.00 0.00 O ATOM 674 CB THR A 46 -5.955 -4.344 -1.930 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.661 -4.532 -3.318 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.711 -4.622 -1.100 1.00 0.00 C ATOM 0 H THR A 46 -6.977 -5.158 0.583 1.00 0.00 H new ATOM 0 HA THR A 46 -7.946 -5.134 -2.198 1.00 0.00 H new ATOM 0 HB THR A 46 -6.261 -3.312 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.924 -3.941 -3.579 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.906 -3.959 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.930 -4.448 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.404 -5.658 -1.240 1.00 0.00 H new ATOM 684 N LYS A 47 -6.702 -7.311 -2.742 1.00 0.00 N ATOM 685 CA LYS A 47 -6.278 -8.694 -2.926 1.00 0.00 C ATOM 686 C LYS A 47 -5.266 -8.805 -4.063 1.00 0.00 C ATOM 687 O LYS A 47 -5.471 -8.256 -5.145 1.00 0.00 O ATOM 688 CB LYS A 47 -7.487 -9.586 -3.216 1.00 0.00 C ATOM 689 CG LYS A 47 -8.312 -9.125 -4.405 1.00 0.00 C ATOM 690 CD LYS A 47 -9.551 -9.985 -4.591 1.00 0.00 C ATOM 691 CE LYS A 47 -10.238 -9.693 -5.915 1.00 0.00 C ATOM 692 NZ LYS A 47 -11.341 -10.654 -6.192 1.00 0.00 N ATOM 0 H LYS A 47 -7.042 -6.858 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.802 -9.028 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.142 -10.604 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.125 -9.618 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.608 -8.085 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.703 -9.163 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.274 -11.038 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.247 -9.805 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.636 -8.678 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.506 -9.738 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.784 -10.421 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.958 -11.620 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.053 -10.593 -5.436 1.00 0.00 H new ATOM 706 N ALA A 48 -4.176 -9.522 -3.810 1.00 0.00 N ATOM 707 CA ALA A 48 -3.135 -9.708 -4.813 1.00 0.00 C ATOM 708 C ALA A 48 -3.252 -11.076 -5.478 1.00 0.00 C ATOM 709 O ALA A 48 -4.116 -11.877 -5.122 1.00 0.00 O ATOM 710 CB ALA A 48 -1.759 -9.541 -4.184 1.00 0.00 C ATOM 0 H ALA A 48 -3.991 -9.983 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.266 -8.946 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.991 -9.683 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.671 -8.540 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.628 -10.281 -3.394 1.00 0.00 H new ATOM 716 N GLU A 49 -2.378 -11.335 -6.446 1.00 0.00 N ATOM 717 CA GLU A 49 -2.386 -12.606 -7.161 1.00 0.00 C ATOM 718 C GLU A 49 -2.152 -13.770 -6.203 1.00 0.00 C ATOM 719 O GLU A 49 -2.298 -14.934 -6.576 1.00 0.00 O ATOM 720 CB GLU A 49 -1.317 -12.607 -8.255 1.00 0.00 C ATOM 721 CG GLU A 49 -1.579 -11.602 -9.364 1.00 0.00 C ATOM 722 CD GLU A 49 -2.612 -12.090 -10.361 1.00 0.00 C ATOM 723 OE1 GLU A 49 -3.492 -12.882 -9.963 1.00 0.00 O ATOM 724 OE2 GLU A 49 -2.541 -11.681 -11.538 1.00 0.00 O ATOM 0 H GLU A 49 -1.656 -10.682 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.366 -12.729 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.348 -12.393 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.254 -13.605 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.917 -10.663 -8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.646 -11.392 -9.887 1.00 0.00 H new ATOM 731 N GLY A 50 -1.786 -13.448 -4.966 1.00 0.00 N ATOM 732 CA GLY A 50 -1.536 -14.477 -3.974 1.00 0.00 C ATOM 733 C GLY A 50 -0.564 -15.532 -4.465 1.00 0.00 C ATOM 734 O GLY A 50 0.538 -15.211 -4.910 1.00 0.00 O ATOM 0 H GLY A 50 -1.658 -12.492 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.141 -14.016 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.478 -14.953 -3.704 1.00 0.00 H new ATOM 738 N PHE A 51 -0.972 -16.794 -4.383 1.00 0.00 N ATOM 739 CA PHE A 51 -0.128 -17.900 -4.820 1.00 0.00 C ATOM 740 C PHE A 51 -0.975 -19.056 -5.344 1.00 0.00 C ATOM 741 O PHE A 51 -1.755 -19.653 -4.603 1.00 0.00 O ATOM 742 CB PHE A 51 0.755 -18.382 -3.667 1.00 0.00 C ATOM 743 CG PHE A 51 1.959 -17.515 -3.431 1.00 0.00 C ATOM 744 CD1 PHE A 51 1.822 -16.252 -2.878 1.00 0.00 C ATOM 745 CD2 PHE A 51 3.228 -17.962 -3.763 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.927 -15.451 -2.659 1.00 0.00 C ATOM 747 CE2 PHE A 51 4.337 -17.167 -3.546 1.00 0.00 C ATOM 748 CZ PHE A 51 4.186 -15.909 -2.995 1.00 0.00 C ATOM 0 H PHE A 51 -1.882 -17.076 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 51 0.507 -17.542 -5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.159 -18.419 -2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.085 -19.400 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.840 -15.889 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.352 -18.943 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.806 -14.469 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.321 -17.528 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.051 -15.285 -2.827 1.00 0.00 H new ATOM 758 N MET A 52 -0.814 -19.365 -6.627 1.00 0.00 N ATOM 759 CA MET A 52 -1.563 -20.449 -7.251 1.00 0.00 C ATOM 760 C MET A 52 -3.021 -20.053 -7.459 1.00 0.00 C ATOM 761 O MET A 52 -3.934 -20.768 -7.043 1.00 0.00 O ATOM 762 CB MET A 52 -1.483 -21.713 -6.392 1.00 0.00 C ATOM 763 CG MET A 52 -1.865 -22.981 -7.139 1.00 0.00 C ATOM 764 SD MET A 52 -1.867 -24.438 -6.077 1.00 0.00 S ATOM 765 CE MET A 52 -0.601 -25.432 -6.863 1.00 0.00 C ATOM 0 H MET A 52 -0.172 -18.880 -7.254 1.00 0.00 H new ATOM 0 HA MET A 52 -1.118 -20.651 -8.225 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.468 -21.819 -6.009 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.139 -21.598 -5.529 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.854 -22.855 -7.579 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.168 -23.137 -7.962 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.485 -26.370 -6.319 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.891 -25.643 -7.892 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.344 -24.889 -6.856 1.00 0.00 H new ATOM 775 N ASP A 53 -3.233 -18.912 -8.104 1.00 0.00 N ATOM 776 CA ASP A 53 -4.581 -18.421 -8.369 1.00 0.00 C ATOM 777 C ASP A 53 -5.397 -18.356 -7.082 1.00 0.00 C ATOM 778 O ASP A 53 -6.618 -18.506 -7.101 1.00 0.00 O ATOM 779 CB ASP A 53 -5.283 -19.320 -9.388 1.00 0.00 C ATOM 780 CG ASP A 53 -6.539 -18.685 -9.951 1.00 0.00 C ATOM 781 OD1 ASP A 53 -6.418 -17.831 -10.854 1.00 0.00 O ATOM 782 OD2 ASP A 53 -7.643 -19.042 -9.489 1.00 0.00 O ATOM 0 H ASP A 53 -2.489 -18.309 -8.454 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.501 -17.414 -8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.596 -19.545 -10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.539 -20.269 -8.916 1.00 0.00 H new ATOM 787 N ALA A 54 -4.714 -18.132 -5.964 1.00 0.00 N ATOM 788 CA ALA A 54 -5.375 -18.046 -4.668 1.00 0.00 C ATOM 789 C ALA A 54 -5.296 -16.631 -4.104 1.00 0.00 C ATOM 790 O ALA A 54 -4.263 -16.222 -3.573 1.00 0.00 O ATOM 791 CB ALA A 54 -4.760 -19.040 -3.694 1.00 0.00 C ATOM 0 H ALA A 54 -3.702 -18.007 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.427 -18.295 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.264 -18.964 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.875 -20.051 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.700 -18.818 -3.568 1.00 0.00 H new ATOM 797 N ASP A 55 -6.391 -15.889 -4.224 1.00 0.00 N ATOM 798 CA ASP A 55 -6.445 -14.520 -3.725 1.00 0.00 C ATOM 799 C ASP A 55 -6.056 -14.462 -2.251 1.00 0.00 C ATOM 800 O ASP A 55 -6.498 -15.287 -1.450 1.00 0.00 O ATOM 801 CB ASP A 55 -7.847 -13.939 -3.918 1.00 0.00 C ATOM 802 CG ASP A 55 -8.492 -14.402 -5.209 1.00 0.00 C ATOM 803 OD1 ASP A 55 -7.766 -14.557 -6.213 1.00 0.00 O ATOM 804 OD2 ASP A 55 -9.724 -14.609 -5.216 1.00 0.00 O ATOM 0 H ASP A 55 -7.253 -16.212 -4.662 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.731 -13.924 -4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.476 -14.229 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.790 -12.851 -3.914 1.00 0.00 H new ATOM 809 N ILE A 56 -5.227 -13.485 -1.901 1.00 0.00 N ATOM 810 CA ILE A 56 -4.779 -13.321 -0.523 1.00 0.00 C ATOM 811 C ILE A 56 -5.223 -11.977 0.043 1.00 0.00 C ATOM 812 O ILE A 56 -5.066 -10.929 -0.584 1.00 0.00 O ATOM 813 CB ILE A 56 -3.246 -13.430 -0.413 1.00 0.00 C ATOM 814 CG1 ILE A 56 -2.783 -14.833 -0.812 1.00 0.00 C ATOM 815 CG2 ILE A 56 -2.792 -13.099 1.001 1.00 0.00 C ATOM 816 CD1 ILE A 56 -1.283 -15.016 -0.745 1.00 0.00 C ATOM 0 H ILE A 56 -4.852 -12.795 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.235 -14.125 0.055 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.795 -12.711 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.260 -15.564 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.122 -15.044 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.707 -13.180 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.095 -12.082 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.249 -13.797 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.027 -16.033 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.800 -14.309 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.940 -14.837 0.274 1.00 0.00 H new ATOM 828 N PRO A 57 -5.791 -12.005 1.258 1.00 0.00 N ATOM 829 CA PRO A 57 -6.268 -10.797 1.937 1.00 0.00 C ATOM 830 C PRO A 57 -5.124 -9.894 2.385 1.00 0.00 C ATOM 831 O PRO A 57 -4.301 -10.282 3.215 1.00 0.00 O ATOM 832 CB PRO A 57 -7.021 -11.346 3.151 1.00 0.00 C ATOM 833 CG PRO A 57 -6.404 -12.678 3.409 1.00 0.00 C ATOM 834 CD PRO A 57 -6.010 -13.219 2.062 1.00 0.00 C ATOM 0 HA PRO A 57 -6.881 -10.177 1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.916 -10.687 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.088 -11.437 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.536 -12.586 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.108 -13.345 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.109 -13.829 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.793 -13.847 1.637 1.00 0.00 H new ATOM 842 N LEU A 58 -5.077 -8.687 1.830 1.00 0.00 N ATOM 843 CA LEU A 58 -4.034 -7.727 2.173 1.00 0.00 C ATOM 844 C LEU A 58 -4.631 -6.478 2.812 1.00 0.00 C ATOM 845 O LEU A 58 -5.600 -5.913 2.304 1.00 0.00 O ATOM 846 CB LEU A 58 -3.236 -7.345 0.926 1.00 0.00 C ATOM 847 CG LEU A 58 -2.175 -8.348 0.473 1.00 0.00 C ATOM 848 CD1 LEU A 58 -1.770 -8.084 -0.968 1.00 0.00 C ATOM 849 CD2 LEU A 58 -0.961 -8.290 1.389 1.00 0.00 C ATOM 0 H LEU A 58 -5.749 -8.351 1.141 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.366 -8.196 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.936 -7.191 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.747 -6.389 1.111 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.602 -9.349 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.014 -8.808 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.643 -8.178 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.362 -7.077 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.216 -9.011 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.534 -7.288 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.263 -8.530 2.408 1.00 0.00 H new ATOM 861 N GLU A 59 -4.046 -6.050 3.926 1.00 0.00 N ATOM 862 CA GLU A 59 -4.520 -4.866 4.632 1.00 0.00 C ATOM 863 C GLU A 59 -3.513 -3.725 4.520 1.00 0.00 C ATOM 864 O GLU A 59 -2.509 -3.696 5.232 1.00 0.00 O ATOM 865 CB GLU A 59 -4.776 -5.192 6.105 1.00 0.00 C ATOM 866 CG GLU A 59 -5.399 -4.045 6.883 1.00 0.00 C ATOM 867 CD GLU A 59 -5.100 -4.116 8.368 1.00 0.00 C ATOM 868 OE1 GLU A 59 -5.887 -4.750 9.101 1.00 0.00 O ATOM 869 OE2 GLU A 59 -4.079 -3.539 8.796 1.00 0.00 O ATOM 0 H GLU A 59 -3.243 -6.506 4.359 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.455 -4.549 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.432 -6.061 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.833 -5.470 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.029 -3.099 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.479 -4.053 6.733 1.00 0.00 H new ATOM 876 N LEU A 60 -3.789 -2.788 3.619 1.00 0.00 N ATOM 877 CA LEU A 60 -2.907 -1.644 3.412 1.00 0.00 C ATOM 878 C LEU A 60 -3.474 -0.393 4.075 1.00 0.00 C ATOM 879 O LEU A 60 -4.559 0.070 3.726 1.00 0.00 O ATOM 880 CB LEU A 60 -2.706 -1.396 1.916 1.00 0.00 C ATOM 881 CG LEU A 60 -1.676 -2.286 1.220 1.00 0.00 C ATOM 882 CD1 LEU A 60 -2.018 -2.446 -0.253 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.276 -1.712 1.386 1.00 0.00 C ATOM 0 H LEU A 60 -4.615 -2.798 3.021 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.944 -1.870 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.665 -1.525 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.411 -0.356 1.777 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.700 -3.271 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.274 -3.082 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.003 -2.903 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.022 -1.468 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.444 -2.358 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.237 -0.715 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.031 -1.651 2.446 1.00 0.00 H new ATOM 895 N VAL A 61 -2.730 0.151 5.033 1.00 0.00 N ATOM 896 CA VAL A 61 -3.156 1.351 5.743 1.00 0.00 C ATOM 897 C VAL A 61 -2.239 2.528 5.432 1.00 0.00 C ATOM 898 O VAL A 61 -1.112 2.598 5.923 1.00 0.00 O ATOM 899 CB VAL A 61 -3.181 1.122 7.266 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.558 2.404 7.993 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.142 -0.003 7.620 1.00 0.00 C ATOM 0 H VAL A 61 -1.829 -0.220 5.335 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.165 1.580 5.401 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.181 0.830 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.570 2.223 9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.828 3.180 7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.546 2.729 7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.147 -0.151 8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.146 0.257 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.823 -0.922 7.129 1.00 0.00 H new ATOM 911 N PHE A 62 -2.730 3.453 4.614 1.00 0.00 N ATOM 912 CA PHE A 62 -1.954 4.629 4.236 1.00 0.00 C ATOM 913 C PHE A 62 -2.318 5.825 5.111 1.00 0.00 C ATOM 914 O PHE A 62 -3.490 6.181 5.238 1.00 0.00 O ATOM 915 CB PHE A 62 -2.189 4.970 2.763 1.00 0.00 C ATOM 916 CG PHE A 62 -1.517 4.020 1.813 1.00 0.00 C ATOM 917 CD1 PHE A 62 -0.136 3.978 1.717 1.00 0.00 C ATOM 918 CD2 PHE A 62 -2.267 3.169 1.018 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.485 3.106 0.843 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.652 2.294 0.142 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.274 2.262 0.056 1.00 0.00 C ATOM 0 H PHE A 62 -3.661 3.411 4.200 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.899 4.400 4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.261 4.971 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.828 5.980 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.462 4.634 2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.345 3.189 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.563 3.085 0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.248 1.637 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.209 1.578 -0.626 1.00 0.00 H new ATOM 931 N HIS A 63 -1.306 6.440 5.713 1.00 0.00 N ATOM 932 CA HIS A 63 -1.518 7.596 6.577 1.00 0.00 C ATOM 933 C HIS A 63 -0.829 8.833 6.009 1.00 0.00 C ATOM 934 O HIS A 63 0.398 8.880 5.905 1.00 0.00 O ATOM 935 CB HIS A 63 -0.998 7.310 7.986 1.00 0.00 C ATOM 936 CG HIS A 63 -0.595 8.541 8.737 1.00 0.00 C ATOM 937 ND1 HIS A 63 0.721 8.887 8.965 1.00 0.00 N ATOM 938 CD2 HIS A 63 -1.342 9.511 9.313 1.00 0.00 C ATOM 939 CE1 HIS A 63 0.765 10.016 9.650 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.474 10.416 9.874 1.00 0.00 N ATOM 0 H HIS A 63 -0.330 6.157 5.619 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.590 7.789 6.626 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.770 6.787 8.550 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.142 6.639 7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.421 9.564 9.329 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.661 10.525 9.972 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.742 11.259 10.381 1.00 0.00 H new ATOM 949 N LEU A 64 -1.624 9.832 5.642 1.00 0.00 N ATOM 950 CA LEU A 64 -1.090 11.069 5.083 1.00 0.00 C ATOM 951 C LEU A 64 -0.895 12.118 6.173 1.00 0.00 C ATOM 952 O LEU A 64 -1.849 12.716 6.672 1.00 0.00 O ATOM 953 CB LEU A 64 -2.027 11.609 4.001 1.00 0.00 C ATOM 954 CG LEU A 64 -2.556 10.583 2.998 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.574 11.223 2.067 1.00 0.00 C ATOM 956 CD2 LEU A 64 -1.410 9.975 2.202 1.00 0.00 C ATOM 0 H LEU A 64 -2.641 9.810 5.721 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.120 10.849 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.879 12.082 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.502 12.389 3.450 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.051 9.785 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.939 10.478 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.409 11.609 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.104 12.041 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.805 9.247 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.886 10.762 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.717 9.480 2.882 1.00 0.00 H new ATOM 968 N PRO A 65 0.371 12.351 6.550 1.00 0.00 N ATOM 969 CA PRO A 65 0.722 13.331 7.583 1.00 0.00 C ATOM 970 C PRO A 65 0.492 14.766 7.121 1.00 0.00 C ATOM 971 O PRO A 65 -0.164 15.006 6.107 1.00 0.00 O ATOM 972 CB PRO A 65 2.212 13.078 7.821 1.00 0.00 C ATOM 973 CG PRO A 65 2.703 12.480 6.547 1.00 0.00 C ATOM 974 CD PRO A 65 1.557 11.675 5.999 1.00 0.00 C ATOM 0 HA PRO A 65 0.109 13.218 8.477 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.739 14.004 8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.370 12.403 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.007 13.255 5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.574 11.849 6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.550 11.676 4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.610 10.634 6.316 1.00 0.00 H new ATOM 982 N VAL A 66 1.037 15.719 7.871 1.00 0.00 N ATOM 983 CA VAL A 66 0.894 17.131 7.538 1.00 0.00 C ATOM 984 C VAL A 66 2.119 17.647 6.792 1.00 0.00 C ATOM 985 O VAL A 66 2.116 18.760 6.268 1.00 0.00 O ATOM 986 CB VAL A 66 0.676 17.986 8.800 1.00 0.00 C ATOM 987 CG1 VAL A 66 -0.738 17.807 9.330 1.00 0.00 C ATOM 988 CG2 VAL A 66 1.702 17.632 9.866 1.00 0.00 C ATOM 0 H VAL A 66 1.582 15.538 8.714 1.00 0.00 H new ATOM 0 HA VAL A 66 0.018 17.217 6.895 1.00 0.00 H new ATOM 0 HB VAL A 66 0.808 19.035 8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.873 18.419 10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.454 18.114 8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.903 16.759 9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.534 18.245 10.751 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.604 16.579 10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.705 17.817 9.482 1.00 0.00 H new ATOM 998 N ASN A 67 3.166 16.830 6.749 1.00 0.00 N ATOM 999 CA ASN A 67 4.400 17.204 6.067 1.00 0.00 C ATOM 1000 C ASN A 67 4.412 16.675 4.636 1.00 0.00 C ATOM 1001 O ASN A 67 4.898 17.341 3.721 1.00 0.00 O ATOM 1002 CB ASN A 67 5.612 16.668 6.831 1.00 0.00 C ATOM 1003 CG ASN A 67 5.792 17.343 8.177 1.00 0.00 C ATOM 1004 OD1 ASN A 67 5.034 18.243 8.539 1.00 0.00 O ATOM 1005 ND2 ASN A 67 6.799 16.909 8.927 1.00 0.00 N ATOM 0 H ASN A 67 3.185 15.905 7.178 1.00 0.00 H new ATOM 0 HA ASN A 67 4.452 18.292 6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.499 15.594 6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.510 16.815 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.969 17.324 9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.402 16.160 8.587 1.00 0.00 H new ATOM 1012 N TYR A 68 3.875 15.475 4.450 1.00 0.00 N ATOM 1013 CA TYR A 68 3.825 14.856 3.131 1.00 0.00 C ATOM 1014 C TYR A 68 3.440 15.876 2.064 1.00 0.00 C ATOM 1015 O TYR A 68 2.713 16.836 2.320 1.00 0.00 O ATOM 1016 CB TYR A 68 2.828 13.695 3.126 1.00 0.00 C ATOM 1017 CG TYR A 68 2.169 13.469 1.784 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.314 14.419 1.240 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.402 12.306 1.061 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.708 14.216 0.015 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.803 12.095 -0.165 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.956 13.052 -0.684 1.00 0.00 C ATOM 1023 OH TYR A 68 0.356 12.847 -1.905 1.00 0.00 O ATOM 0 H TYR A 68 3.468 14.911 5.196 1.00 0.00 H new ATOM 0 HA TYR A 68 4.819 14.473 2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.344 12.783 3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.057 13.886 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.120 15.332 1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.063 11.554 1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.044 14.964 -0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.997 11.186 -0.715 1.00 0.00 H new ATOM 0 HH TYR A 68 0.636 11.980 -2.266 1.00 0.00 H new ATOM 1033 N PRO A 69 3.938 15.664 0.837 1.00 0.00 N ATOM 1034 CA PRO A 69 4.805 14.525 0.520 1.00 0.00 C ATOM 1035 C PRO A 69 6.181 14.647 1.165 1.00 0.00 C ATOM 1036 O PRO A 69 6.933 13.675 1.234 1.00 0.00 O ATOM 1037 CB PRO A 69 4.921 14.581 -1.005 1.00 0.00 C ATOM 1038 CG PRO A 69 4.679 16.010 -1.351 1.00 0.00 C ATOM 1039 CD PRO A 69 3.694 16.521 -0.336 1.00 0.00 C ATOM 0 HA PRO A 69 4.398 13.586 0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.906 14.254 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.189 13.929 -1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.606 16.582 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.282 16.105 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.862 17.573 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.668 16.432 -0.692 1.00 0.00 H new ATOM 1047 N SER A 70 6.505 15.848 1.635 1.00 0.00 N ATOM 1048 CA SER A 70 7.793 16.097 2.271 1.00 0.00 C ATOM 1049 C SER A 70 8.261 14.872 3.051 1.00 0.00 C ATOM 1050 O SER A 70 9.416 14.459 2.945 1.00 0.00 O ATOM 1051 CB SER A 70 7.699 17.305 3.205 1.00 0.00 C ATOM 1052 OG SER A 70 8.983 17.706 3.652 1.00 0.00 O ATOM 0 H SER A 70 5.893 16.663 1.587 1.00 0.00 H new ATOM 0 HA SER A 70 8.522 16.307 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.216 18.133 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.073 17.058 4.062 1.00 0.00 H new ATOM 0 HG SER A 70 8.895 18.481 4.246 1.00 0.00 H new ATOM 1058 N CYS A 71 7.355 14.297 3.834 1.00 0.00 N ATOM 1059 CA CYS A 71 7.673 13.119 4.633 1.00 0.00 C ATOM 1060 C CYS A 71 7.026 11.870 4.043 1.00 0.00 C ATOM 1061 O CYS A 71 6.163 11.959 3.169 1.00 0.00 O ATOM 1062 CB CYS A 71 7.208 13.316 6.076 1.00 0.00 C ATOM 1063 SG CYS A 71 8.182 12.404 7.297 1.00 0.00 S ATOM 0 H CYS A 71 6.395 14.627 3.933 1.00 0.00 H new ATOM 0 HA CYS A 71 8.755 12.984 4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.246 14.378 6.317 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.165 13.008 6.156 1.00 0.00 H new ATOM 0 HG CYS A 71 7.714 12.636 8.487 1.00 0.00 H new ATOM 1069 N LEU A 72 7.450 10.707 4.525 1.00 0.00 N ATOM 1070 CA LEU A 72 6.914 9.438 4.044 1.00 0.00 C ATOM 1071 C LEU A 72 5.640 9.066 4.795 1.00 0.00 C ATOM 1072 O LEU A 72 5.541 9.219 6.013 1.00 0.00 O ATOM 1073 CB LEU A 72 7.955 8.329 4.202 1.00 0.00 C ATOM 1074 CG LEU A 72 9.288 8.552 3.487 1.00 0.00 C ATOM 1075 CD1 LEU A 72 10.365 7.653 4.072 1.00 0.00 C ATOM 1076 CD2 LEU A 72 9.139 8.307 1.992 1.00 0.00 C ATOM 0 H LEU A 72 8.163 10.616 5.248 1.00 0.00 H new ATOM 0 HA LEU A 72 6.671 9.552 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.154 8.194 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.522 7.397 3.838 1.00 0.00 H new ATOM 0 HG LEU A 72 9.589 9.589 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.306 7.826 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.491 7.878 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.072 6.610 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.097 8.470 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.814 7.281 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.399 8.994 1.583 1.00 0.00 H new ATOM 1088 N PRO A 73 4.641 8.564 4.054 1.00 0.00 N ATOM 1089 CA PRO A 73 3.355 8.157 4.630 1.00 0.00 C ATOM 1090 C PRO A 73 3.477 6.905 5.492 1.00 0.00 C ATOM 1091 O PRO A 73 4.392 6.103 5.313 1.00 0.00 O ATOM 1092 CB PRO A 73 2.488 7.878 3.400 1.00 0.00 C ATOM 1093 CG PRO A 73 3.458 7.535 2.322 1.00 0.00 C ATOM 1094 CD PRO A 73 4.689 8.355 2.598 1.00 0.00 C ATOM 0 HA PRO A 73 2.945 8.919 5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.793 7.058 3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.890 8.749 3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.689 6.470 2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.047 7.766 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.596 7.831 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.672 9.300 2.056 1.00 0.00 H new ATOM 1102 N GLY A 74 2.546 6.743 6.428 1.00 0.00 N ATOM 1103 CA GLY A 74 2.567 5.586 7.303 1.00 0.00 C ATOM 1104 C GLY A 74 2.000 4.347 6.639 1.00 0.00 C ATOM 1105 O GLY A 74 0.787 4.233 6.457 1.00 0.00 O ATOM 0 H GLY A 74 1.778 7.393 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.592 5.390 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.995 5.806 8.204 1.00 0.00 H new ATOM 1109 N ILE A 75 2.877 3.418 6.276 1.00 0.00 N ATOM 1110 CA ILE A 75 2.456 2.182 5.628 1.00 0.00 C ATOM 1111 C ILE A 75 2.508 1.007 6.599 1.00 0.00 C ATOM 1112 O ILE A 75 3.421 0.907 7.420 1.00 0.00 O ATOM 1113 CB ILE A 75 3.333 1.861 4.404 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.320 3.032 3.419 1.00 0.00 C ATOM 1115 CG2 ILE A 75 2.850 0.587 3.726 1.00 0.00 C ATOM 1116 CD1 ILE A 75 4.514 3.053 2.490 1.00 0.00 C ATOM 0 H ILE A 75 3.884 3.497 6.419 1.00 0.00 H new ATOM 0 HA ILE A 75 1.428 2.333 5.298 1.00 0.00 H new ATOM 0 HB ILE A 75 4.358 1.705 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.408 2.986 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.289 3.967 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.480 0.373 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.905 -0.243 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.818 0.717 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.439 3.909 1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.430 3.130 3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.535 2.134 1.904 1.00 0.00 H new ATOM 1128 N SER A 76 1.525 0.119 6.499 1.00 0.00 N ATOM 1129 CA SER A 76 1.457 -1.049 7.369 1.00 0.00 C ATOM 1130 C SER A 76 0.941 -2.266 6.607 1.00 0.00 C ATOM 1131 O SER A 76 -0.163 -2.247 6.061 1.00 0.00 O ATOM 1132 CB SER A 76 0.554 -0.764 8.571 1.00 0.00 C ATOM 1133 OG SER A 76 0.648 -1.798 9.536 1.00 0.00 O ATOM 0 H SER A 76 0.764 0.186 5.823 1.00 0.00 H new ATOM 0 HA SER A 76 2.465 -1.266 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.835 0.187 9.024 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.479 -0.666 8.238 1.00 0.00 H new ATOM 0 HG SER A 76 0.063 -1.592 10.295 1.00 0.00 H new ATOM 1139 N ILE A 77 1.747 -3.321 6.575 1.00 0.00 N ATOM 1140 CA ILE A 77 1.372 -4.547 5.881 1.00 0.00 C ATOM 1141 C ILE A 77 1.109 -5.679 6.869 1.00 0.00 C ATOM 1142 O ILE A 77 2.002 -6.092 7.607 1.00 0.00 O ATOM 1143 CB ILE A 77 2.464 -4.989 4.889 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.847 -3.829 3.968 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.988 -6.184 4.076 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.928 -3.675 2.776 1.00 0.00 C ATOM 0 H ILE A 77 2.664 -3.352 7.021 1.00 0.00 H new ATOM 0 HA ILE A 77 0.458 -4.330 5.329 1.00 0.00 H new ATOM 0 HB ILE A 77 3.348 -5.287 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.842 -2.903 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.867 -3.979 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.770 -6.485 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.761 -7.013 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.092 -5.911 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.259 -2.834 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.951 -4.586 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.910 -3.494 3.122 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.123 -6.179 6.874 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.503 -7.265 7.770 1.00 0.00 C ATOM 1160 C ASN A 78 -1.574 -8.146 7.132 1.00 0.00 C ATOM 1161 O ASN A 78 -2.663 -7.676 6.803 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.013 -6.703 9.098 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.243 -5.474 9.540 1.00 0.00 C ATOM 1164 OD1 ASN A 78 0.977 -5.517 9.700 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -0.954 -4.371 9.740 1.00 0.00 N ATOM 0 H ASN A 78 -0.874 -5.849 6.268 1.00 0.00 H new ATOM 0 HA ASN A 78 0.380 -7.875 7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.069 -6.451 9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.938 -7.472 9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.491 -3.513 10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.964 -4.382 9.595 1.00 0.00 H new ATOM 1172 N SER A 79 -1.256 -9.425 6.963 1.00 0.00 N ATOM 1173 CA SER A 79 -2.189 -10.372 6.362 1.00 0.00 C ATOM 1174 C SER A 79 -2.398 -11.579 7.272 1.00 0.00 C ATOM 1175 O SER A 79 -1.495 -11.981 8.004 1.00 0.00 O ATOM 1176 CB SER A 79 -1.674 -10.831 4.997 1.00 0.00 C ATOM 1177 OG SER A 79 -2.274 -12.055 4.611 1.00 0.00 O ATOM 0 H SER A 79 -0.360 -9.830 7.234 1.00 0.00 H new ATOM 0 HA SER A 79 -3.146 -9.868 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.886 -10.067 4.249 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.591 -10.949 5.034 1.00 0.00 H new ATOM 0 HG SER A 79 -3.072 -11.873 4.072 1.00 0.00 H new ATOM 1183 N GLU A 80 -3.597 -12.151 7.217 1.00 0.00 N ATOM 1184 CA GLU A 80 -3.926 -13.312 8.037 1.00 0.00 C ATOM 1185 C GLU A 80 -3.076 -14.516 7.640 1.00 0.00 C ATOM 1186 O GLU A 80 -2.827 -15.406 8.452 1.00 0.00 O ATOM 1187 CB GLU A 80 -5.411 -13.655 7.902 1.00 0.00 C ATOM 1188 CG GLU A 80 -6.315 -12.798 8.772 1.00 0.00 C ATOM 1189 CD GLU A 80 -6.607 -11.444 8.153 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -7.028 -11.408 6.978 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -6.415 -10.422 8.844 1.00 0.00 O ATOM 0 H GLU A 80 -4.355 -11.830 6.615 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.711 -13.064 9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.709 -13.540 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.558 -14.703 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.254 -13.325 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.847 -12.655 9.746 1.00 0.00 H new ATOM 1198 N GLN A 81 -2.637 -14.536 6.386 1.00 0.00 N ATOM 1199 CA GLN A 81 -1.817 -15.631 5.881 1.00 0.00 C ATOM 1200 C GLN A 81 -0.338 -15.369 6.144 1.00 0.00 C ATOM 1201 O GLN A 81 0.336 -16.163 6.803 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.054 -15.824 4.382 1.00 0.00 C ATOM 1203 CG GLN A 81 -3.429 -16.381 4.050 1.00 0.00 C ATOM 1204 CD GLN A 81 -3.632 -17.787 4.580 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -3.747 -17.997 5.788 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -3.678 -18.759 3.677 1.00 0.00 N ATOM 0 H GLN A 81 -2.835 -13.807 5.701 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.106 -16.541 6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.927 -14.867 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.293 -16.497 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.193 -15.725 4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.566 -16.381 2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.578 -18.540 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.813 -19.725 3.974 1.00 0.00 H new ATOM 1215 N LEU A 82 0.162 -14.253 5.626 1.00 0.00 N ATOM 1216 CA LEU A 82 1.563 -13.887 5.805 1.00 0.00 C ATOM 1217 C LEU A 82 1.954 -13.933 7.279 1.00 0.00 C ATOM 1218 O LEU A 82 1.184 -13.527 8.150 1.00 0.00 O ATOM 1219 CB LEU A 82 1.821 -12.489 5.241 1.00 0.00 C ATOM 1220 CG LEU A 82 1.514 -12.297 3.755 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.705 -10.843 3.354 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.392 -13.206 2.908 1.00 0.00 C ATOM 0 H LEU A 82 -0.381 -13.586 5.079 1.00 0.00 H new ATOM 0 HA LEU A 82 2.174 -14.609 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.226 -11.774 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.868 -12.238 5.410 1.00 0.00 H new ATOM 0 HG LEU A 82 0.472 -12.566 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.482 -10.726 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.034 -10.213 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.737 -10.546 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.160 -13.056 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.441 -12.968 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.205 -14.246 3.176 1.00 0.00 H new ATOM 1234 N THR A 83 3.157 -14.428 7.552 1.00 0.00 N ATOM 1235 CA THR A 83 3.651 -14.526 8.919 1.00 0.00 C ATOM 1236 C THR A 83 4.271 -13.210 9.376 1.00 0.00 C ATOM 1237 O THR A 83 4.704 -12.400 8.556 1.00 0.00 O ATOM 1238 CB THR A 83 4.697 -15.649 9.060 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.741 -15.468 8.097 1.00 0.00 O ATOM 1240 CG2 THR A 83 4.054 -17.014 8.869 1.00 0.00 C ATOM 0 H THR A 83 3.807 -14.767 6.843 1.00 0.00 H new ATOM 0 HA THR A 83 2.792 -14.758 9.549 1.00 0.00 H new ATOM 0 HB THR A 83 5.117 -15.601 10.065 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.538 -15.963 8.381 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.812 -17.791 8.973 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.279 -17.160 9.622 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.610 -17.071 7.875 1.00 0.00 H new ATOM 1248 N ARG A 84 4.311 -13.004 10.688 1.00 0.00 N ATOM 1249 CA ARG A 84 4.877 -11.785 11.253 1.00 0.00 C ATOM 1250 C ARG A 84 6.175 -11.410 10.544 1.00 0.00 C ATOM 1251 O ARG A 84 6.424 -10.238 10.263 1.00 0.00 O ATOM 1252 CB ARG A 84 5.135 -11.964 12.751 1.00 0.00 C ATOM 1253 CG ARG A 84 5.850 -10.785 13.390 1.00 0.00 C ATOM 1254 CD ARG A 84 6.017 -10.982 14.889 1.00 0.00 C ATOM 1255 NE ARG A 84 6.982 -12.033 15.199 1.00 0.00 N ATOM 1256 CZ ARG A 84 6.670 -13.323 15.258 1.00 0.00 C ATOM 1257 NH1 ARG A 84 5.426 -13.719 15.030 1.00 0.00 N ATOM 1258 NH2 ARG A 84 7.605 -14.220 15.546 1.00 0.00 N ATOM 0 H ARG A 84 3.958 -13.665 11.380 1.00 0.00 H new ATOM 0 HA ARG A 84 4.158 -10.979 11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.183 -12.120 13.259 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.729 -12.865 12.904 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.829 -10.657 12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.287 -9.871 13.202 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.342 -10.046 15.344 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.053 -11.233 15.331 1.00 0.00 H new ATOM 0 HE ARG A 84 7.948 -11.762 15.380 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.705 -13.033 14.808 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.190 -14.710 15.076 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.564 -13.919 15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.365 -15.210 15.591 1.00 0.00 H new ATOM 1272 N ALA A 85 6.999 -12.413 10.258 1.00 0.00 N ATOM 1273 CA ALA A 85 8.270 -12.188 9.581 1.00 0.00 C ATOM 1274 C ALA A 85 8.052 -11.711 8.149 1.00 0.00 C ATOM 1275 O ALA A 85 8.806 -10.882 7.641 1.00 0.00 O ATOM 1276 CB ALA A 85 9.107 -13.458 9.595 1.00 0.00 C ATOM 0 H ALA A 85 6.809 -13.389 10.485 1.00 0.00 H new ATOM 0 HA ALA A 85 8.807 -11.406 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.053 -13.276 9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.301 -13.755 10.626 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.568 -14.255 9.083 1.00 0.00 H new ATOM 1282 N GLN A 86 7.018 -12.242 7.504 1.00 0.00 N ATOM 1283 CA GLN A 86 6.703 -11.871 6.130 1.00 0.00 C ATOM 1284 C GLN A 86 6.066 -10.487 6.072 1.00 0.00 C ATOM 1285 O GLN A 86 6.636 -9.554 5.504 1.00 0.00 O ATOM 1286 CB GLN A 86 5.765 -12.904 5.503 1.00 0.00 C ATOM 1287 CG GLN A 86 6.491 -14.087 4.881 1.00 0.00 C ATOM 1288 CD GLN A 86 7.204 -14.941 5.911 1.00 0.00 C ATOM 1289 OE1 GLN A 86 8.017 -14.444 6.691 1.00 0.00 O ATOM 1290 NE2 GLN A 86 6.902 -16.234 5.919 1.00 0.00 N ATOM 0 H GLN A 86 6.385 -12.930 7.911 1.00 0.00 H new ATOM 0 HA GLN A 86 7.634 -11.846 5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.079 -13.270 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.160 -12.417 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.775 -14.703 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.215 -13.722 4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.222 -16.603 5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.350 -16.858 6.590 1.00 0.00 H new ATOM 1299 N CYS A 87 4.883 -10.361 6.662 1.00 0.00 N ATOM 1300 CA CYS A 87 4.167 -9.090 6.676 1.00 0.00 C ATOM 1301 C CYS A 87 5.128 -7.927 6.901 1.00 0.00 C ATOM 1302 O CYS A 87 4.886 -6.810 6.443 1.00 0.00 O ATOM 1303 CB CYS A 87 3.094 -9.097 7.766 1.00 0.00 C ATOM 1304 SG CYS A 87 3.684 -8.558 9.388 1.00 0.00 S ATOM 0 H CYS A 87 4.399 -11.123 7.137 1.00 0.00 H new ATOM 0 HA CYS A 87 3.688 -8.961 5.705 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.273 -8.450 7.457 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.689 -10.105 7.855 1.00 0.00 H new ATOM 0 HG CYS A 87 4.713 -9.272 9.735 1.00 0.00 H new ATOM 1310 N VAL A 88 6.220 -8.197 7.609 1.00 0.00 N ATOM 1311 CA VAL A 88 7.218 -7.173 7.895 1.00 0.00 C ATOM 1312 C VAL A 88 8.066 -6.873 6.664 1.00 0.00 C ATOM 1313 O VAL A 88 8.205 -5.719 6.258 1.00 0.00 O ATOM 1314 CB VAL A 88 8.143 -7.598 9.051 1.00 0.00 C ATOM 1315 CG1 VAL A 88 9.358 -6.686 9.126 1.00 0.00 C ATOM 1316 CG2 VAL A 88 7.383 -7.597 10.369 1.00 0.00 C ATOM 0 H VAL A 88 6.436 -9.116 7.995 1.00 0.00 H new ATOM 0 HA VAL A 88 6.675 -6.274 8.186 1.00 0.00 H new ATOM 0 HB VAL A 88 8.492 -8.613 8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.000 -7.002 9.949 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.914 -6.742 8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.032 -5.659 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.052 -7.900 11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.004 -6.595 10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.549 -8.296 10.308 1.00 0.00 H new ATOM 1326 N THR A 89 8.632 -7.921 6.073 1.00 0.00 N ATOM 1327 CA THR A 89 9.467 -7.771 4.888 1.00 0.00 C ATOM 1328 C THR A 89 8.800 -6.869 3.856 1.00 0.00 C ATOM 1329 O THR A 89 9.360 -5.849 3.453 1.00 0.00 O ATOM 1330 CB THR A 89 9.773 -9.134 4.240 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.369 -10.011 5.202 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.706 -8.970 3.049 1.00 0.00 C ATOM 0 H THR A 89 8.527 -8.883 6.396 1.00 0.00 H new ATOM 0 HA THR A 89 10.401 -7.315 5.216 1.00 0.00 H new ATOM 0 HB THR A 89 8.835 -9.564 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.685 -10.316 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.908 -9.946 2.608 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.237 -8.326 2.305 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.642 -8.521 3.380 1.00 0.00 H new ATOM 1340 N VAL A 90 7.599 -7.249 3.431 1.00 0.00 N ATOM 1341 CA VAL A 90 6.855 -6.473 2.447 1.00 0.00 C ATOM 1342 C VAL A 90 6.865 -4.989 2.795 1.00 0.00 C ATOM 1343 O VAL A 90 7.426 -4.173 2.064 1.00 0.00 O ATOM 1344 CB VAL A 90 5.395 -6.954 2.341 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.656 -6.183 1.258 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.345 -8.450 2.070 1.00 0.00 C ATOM 0 H VAL A 90 7.121 -8.090 3.753 1.00 0.00 H new ATOM 0 HA VAL A 90 7.350 -6.621 1.487 1.00 0.00 H new ATOM 0 HB VAL A 90 4.898 -6.764 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.627 -6.536 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.661 -5.120 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.150 -6.339 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.306 -8.772 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.858 -8.667 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.835 -8.984 2.884 1.00 0.00 H new ATOM 1356 N LYS A 91 6.242 -4.646 3.917 1.00 0.00 N ATOM 1357 CA LYS A 91 6.181 -3.259 4.365 1.00 0.00 C ATOM 1358 C LYS A 91 7.545 -2.587 4.244 1.00 0.00 C ATOM 1359 O LYS A 91 7.663 -1.501 3.678 1.00 0.00 O ATOM 1360 CB LYS A 91 5.693 -3.191 5.814 1.00 0.00 C ATOM 1361 CG LYS A 91 5.860 -1.821 6.448 1.00 0.00 C ATOM 1362 CD LYS A 91 7.207 -1.686 7.138 1.00 0.00 C ATOM 1363 CE LYS A 91 7.333 -0.352 7.858 1.00 0.00 C ATOM 1364 NZ LYS A 91 8.602 -0.258 8.632 1.00 0.00 N ATOM 0 H LYS A 91 5.772 -5.309 4.533 1.00 0.00 H new ATOM 0 HA LYS A 91 5.477 -2.727 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.640 -3.472 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.238 -3.925 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.763 -1.051 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.062 -1.654 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.334 -2.500 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.005 -1.780 6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.290 0.459 7.131 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.486 -0.221 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.651 0.665 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.632 -1.016 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.411 -0.357 7.986 1.00 0.00 H new ATOM 1378 N GLU A 92 8.571 -3.242 4.778 1.00 0.00 N ATOM 1379 CA GLU A 92 9.927 -2.707 4.729 1.00 0.00 C ATOM 1380 C GLU A 92 10.305 -2.314 3.303 1.00 0.00 C ATOM 1381 O GLU A 92 11.041 -1.351 3.086 1.00 0.00 O ATOM 1382 CB GLU A 92 10.924 -3.733 5.268 1.00 0.00 C ATOM 1383 CG GLU A 92 10.793 -3.983 6.762 1.00 0.00 C ATOM 1384 CD GLU A 92 12.110 -4.371 7.406 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.511 -5.546 7.273 1.00 0.00 O ATOM 1386 OE2 GLU A 92 12.738 -3.500 8.044 1.00 0.00 O ATOM 0 H GLU A 92 8.489 -4.143 5.249 1.00 0.00 H new ATOM 0 HA GLU A 92 9.961 -1.815 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.786 -4.675 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.936 -3.391 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.408 -3.085 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.063 -4.774 6.932 1.00 0.00 H new ATOM 1393 N LYS A 93 9.797 -3.068 2.334 1.00 0.00 N ATOM 1394 CA LYS A 93 10.079 -2.801 0.929 1.00 0.00 C ATOM 1395 C LYS A 93 9.320 -1.569 0.445 1.00 0.00 C ATOM 1396 O LYS A 93 9.913 -0.629 -0.085 1.00 0.00 O ATOM 1397 CB LYS A 93 9.704 -4.013 0.073 1.00 0.00 C ATOM 1398 CG LYS A 93 10.540 -5.247 0.366 1.00 0.00 C ATOM 1399 CD LYS A 93 11.994 -5.042 -0.026 1.00 0.00 C ATOM 1400 CE LYS A 93 12.823 -6.289 0.241 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.644 -7.313 -0.825 1.00 0.00 N ATOM 0 H LYS A 93 9.187 -3.869 2.496 1.00 0.00 H new ATOM 0 HA LYS A 93 11.147 -2.610 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.652 -4.250 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.814 -3.752 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.479 -5.485 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.133 -6.100 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.054 -4.783 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.408 -4.202 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.876 -6.017 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.540 -6.714 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.884 -8.252 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.655 -7.311 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.268 -7.092 -1.627 1.00 0.00 H new ATOM 1415 N LEU A 94 8.004 -1.580 0.633 1.00 0.00 N ATOM 1416 CA LEU A 94 7.163 -0.463 0.217 1.00 0.00 C ATOM 1417 C LEU A 94 7.769 0.867 0.656 1.00 0.00 C ATOM 1418 O LEU A 94 7.945 1.778 -0.154 1.00 0.00 O ATOM 1419 CB LEU A 94 5.757 -0.613 0.800 1.00 0.00 C ATOM 1420 CG LEU A 94 4.770 -1.432 -0.031 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.929 -2.917 0.260 1.00 0.00 C ATOM 1422 CD2 LEU A 94 3.341 -0.984 0.242 1.00 0.00 C ATOM 0 H LEU A 94 7.497 -2.350 1.070 1.00 0.00 H new ATOM 0 HA LEU A 94 7.101 -0.472 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.841 -1.073 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.338 0.383 0.947 1.00 0.00 H new ATOM 0 HG LEU A 94 4.987 -1.264 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.218 -3.484 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.943 -3.230 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.740 -3.103 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.652 -1.578 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.112 -1.121 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.234 0.069 -0.019 1.00 0.00 H new ATOM 1434 N LEU A 95 8.087 0.971 1.941 1.00 0.00 N ATOM 1435 CA LEU A 95 8.675 2.188 2.488 1.00 0.00 C ATOM 1436 C LEU A 95 9.887 2.623 1.670 1.00 0.00 C ATOM 1437 O LEU A 95 9.971 3.769 1.229 1.00 0.00 O ATOM 1438 CB LEU A 95 9.082 1.972 3.947 1.00 0.00 C ATOM 1439 CG LEU A 95 8.016 2.292 4.995 1.00 0.00 C ATOM 1440 CD1 LEU A 95 7.656 3.769 4.957 1.00 0.00 C ATOM 1441 CD2 LEU A 95 6.778 1.434 4.777 1.00 0.00 C ATOM 0 H LEU A 95 7.947 0.227 2.624 1.00 0.00 H new ATOM 0 HA LEU A 95 7.924 2.977 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.382 0.931 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.960 2.584 4.153 1.00 0.00 H new ATOM 0 HG LEU A 95 8.423 2.063 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.896 3.978 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.545 4.366 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.269 4.024 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.030 1.676 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.369 1.630 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.047 0.381 4.857 1.00 0.00 H new ATOM 1453 N GLU A 96 10.821 1.699 1.469 1.00 0.00 N ATOM 1454 CA GLU A 96 12.027 1.987 0.701 1.00 0.00 C ATOM 1455 C GLU A 96 11.679 2.634 -0.636 1.00 0.00 C ATOM 1456 O GLU A 96 12.313 3.604 -1.051 1.00 0.00 O ATOM 1457 CB GLU A 96 12.828 0.704 0.467 1.00 0.00 C ATOM 1458 CG GLU A 96 13.717 0.320 1.638 1.00 0.00 C ATOM 1459 CD GLU A 96 14.975 1.164 1.717 1.00 0.00 C ATOM 1460 OE1 GLU A 96 15.747 1.169 0.735 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.186 1.818 2.759 1.00 0.00 O ATOM 0 H GLU A 96 10.766 0.745 1.827 1.00 0.00 H new ATOM 0 HA GLU A 96 12.635 2.686 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.137 -0.114 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.446 0.828 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.155 0.425 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.994 -0.731 1.550 1.00 0.00 H new ATOM 1468 N GLN A 97 10.669 2.088 -1.306 1.00 0.00 N ATOM 1469 CA GLN A 97 10.238 2.611 -2.597 1.00 0.00 C ATOM 1470 C GLN A 97 9.729 4.043 -2.462 1.00 0.00 C ATOM 1471 O GLN A 97 10.153 4.934 -3.196 1.00 0.00 O ATOM 1472 CB GLN A 97 9.144 1.723 -3.191 1.00 0.00 C ATOM 1473 CG GLN A 97 9.680 0.486 -3.895 1.00 0.00 C ATOM 1474 CD GLN A 97 10.324 0.807 -5.229 1.00 0.00 C ATOM 1475 OE1 GLN A 97 11.548 0.885 -5.339 1.00 0.00 O ATOM 1476 NE2 GLN A 97 9.500 0.995 -6.254 1.00 0.00 N ATOM 0 H GLN A 97 10.134 1.284 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 97 11.099 2.612 -3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.467 1.413 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.557 2.308 -3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.410 -0.005 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.865 -0.221 -4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 97 8.492 0.921 -6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.876 1.213 -7.177 1.00 0.00 H new ATOM 1485 N ALA A 98 8.817 4.255 -1.519 1.00 0.00 N ATOM 1486 CA ALA A 98 8.252 5.578 -1.287 1.00 0.00 C ATOM 1487 C ALA A 98 9.329 6.656 -1.358 1.00 0.00 C ATOM 1488 O ALA A 98 9.158 7.672 -2.030 1.00 0.00 O ATOM 1489 CB ALA A 98 7.547 5.622 0.061 1.00 0.00 C ATOM 0 H ALA A 98 8.454 3.527 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 98 7.523 5.777 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.130 6.616 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.744 4.885 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.261 5.397 0.853 1.00 0.00 H new ATOM 1495 N GLU A 99 10.437 6.426 -0.661 1.00 0.00 N ATOM 1496 CA GLU A 99 11.540 7.379 -0.645 1.00 0.00 C ATOM 1497 C GLU A 99 11.804 7.929 -2.044 1.00 0.00 C ATOM 1498 O GLU A 99 11.733 9.137 -2.271 1.00 0.00 O ATOM 1499 CB GLU A 99 12.807 6.717 -0.099 1.00 0.00 C ATOM 1500 CG GLU A 99 12.926 6.787 1.414 1.00 0.00 C ATOM 1501 CD GLU A 99 12.242 5.625 2.108 1.00 0.00 C ATOM 1502 OE1 GLU A 99 11.012 5.700 2.314 1.00 0.00 O ATOM 1503 OE2 GLU A 99 12.934 4.643 2.444 1.00 0.00 O ATOM 0 H GLU A 99 10.594 5.589 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 99 11.261 8.207 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.823 5.672 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.678 7.195 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.980 6.801 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.491 7.722 1.766 1.00 0.00 H new ATOM 1510 N SER A 100 12.107 7.034 -2.978 1.00 0.00 N ATOM 1511 CA SER A 100 12.386 7.429 -4.354 1.00 0.00 C ATOM 1512 C SER A 100 11.147 8.038 -5.006 1.00 0.00 C ATOM 1513 O SER A 100 11.251 8.898 -5.881 1.00 0.00 O ATOM 1514 CB SER A 100 12.863 6.224 -5.167 1.00 0.00 C ATOM 1515 OG SER A 100 13.002 6.556 -6.537 1.00 0.00 O ATOM 0 H SER A 100 12.166 6.030 -2.807 1.00 0.00 H new ATOM 0 HA SER A 100 13.174 8.182 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.818 5.873 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.153 5.404 -5.059 1.00 0.00 H new ATOM 0 HG SER A 100 13.309 5.770 -7.035 1.00 0.00 H new ATOM 1521 N LEU A 101 9.976 7.584 -4.573 1.00 0.00 N ATOM 1522 CA LEU A 101 8.716 8.083 -5.113 1.00 0.00 C ATOM 1523 C LEU A 101 8.186 9.244 -4.277 1.00 0.00 C ATOM 1524 O LEU A 101 6.976 9.400 -4.108 1.00 0.00 O ATOM 1525 CB LEU A 101 7.679 6.959 -5.161 1.00 0.00 C ATOM 1526 CG LEU A 101 7.749 6.034 -6.376 1.00 0.00 C ATOM 1527 CD1 LEU A 101 6.990 4.743 -6.108 1.00 0.00 C ATOM 1528 CD2 LEU A 101 7.198 6.732 -7.611 1.00 0.00 C ATOM 0 H LEU A 101 9.873 6.872 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 101 8.900 8.443 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.787 6.353 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.686 7.406 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 101 8.794 5.786 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.051 4.097 -6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.429 4.234 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.945 4.972 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.256 6.058 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.158 7.010 -7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.784 7.628 -7.815 1.00 0.00 H new ATOM 1540 N LEU A 102 9.099 10.056 -3.757 1.00 0.00 N ATOM 1541 CA LEU A 102 8.724 11.205 -2.939 1.00 0.00 C ATOM 1542 C LEU A 102 8.107 12.305 -3.797 1.00 0.00 C ATOM 1543 O LEU A 102 8.044 12.190 -5.021 1.00 0.00 O ATOM 1544 CB LEU A 102 9.946 11.747 -2.196 1.00 0.00 C ATOM 1545 CG LEU A 102 10.241 11.113 -0.836 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.629 11.505 -0.353 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.185 11.521 0.182 1.00 0.00 C ATOM 0 H LEU A 102 10.104 9.941 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 102 7.981 10.876 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.821 11.616 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.813 12.819 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 102 10.211 10.029 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.821 11.044 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.374 11.163 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.688 12.589 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.410 11.061 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.183 12.606 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.204 11.189 -0.158 1.00 0.00 H new ATOM 1559 N SER A 103 7.655 13.372 -3.146 1.00 0.00 N ATOM 1560 CA SER A 103 7.041 14.493 -3.848 1.00 0.00 C ATOM 1561 C SER A 103 6.065 13.998 -4.912 1.00 0.00 C ATOM 1562 O SER A 103 5.883 14.639 -5.947 1.00 0.00 O ATOM 1563 CB SER A 103 8.116 15.368 -4.494 1.00 0.00 C ATOM 1564 OG SER A 103 7.575 16.604 -4.929 1.00 0.00 O ATOM 0 H SER A 103 7.702 13.484 -2.133 1.00 0.00 H new ATOM 0 HA SER A 103 6.488 15.087 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.919 15.550 -3.779 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.557 14.842 -5.341 1.00 0.00 H new ATOM 0 HG SER A 103 6.769 16.439 -5.461 1.00 0.00 H new ATOM 1570 N GLU A 104 5.442 12.854 -4.648 1.00 0.00 N ATOM 1571 CA GLU A 104 4.485 12.273 -5.583 1.00 0.00 C ATOM 1572 C GLU A 104 3.607 11.237 -4.889 1.00 0.00 C ATOM 1573 O GLU A 104 3.942 10.713 -3.826 1.00 0.00 O ATOM 1574 CB GLU A 104 5.218 11.629 -6.762 1.00 0.00 C ATOM 1575 CG GLU A 104 5.480 12.587 -7.912 1.00 0.00 C ATOM 1576 CD GLU A 104 5.625 11.875 -9.243 1.00 0.00 C ATOM 1577 OE1 GLU A 104 4.841 10.938 -9.502 1.00 0.00 O ATOM 1578 OE2 GLU A 104 6.521 12.254 -10.025 1.00 0.00 O ATOM 0 H GLU A 104 5.582 12.312 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 104 3.846 13.074 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.168 11.226 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.631 10.787 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.662 13.305 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.388 13.155 -7.707 1.00 0.00 H new ATOM 1585 N PRO A 105 2.453 10.933 -5.502 1.00 0.00 N ATOM 1586 CA PRO A 105 1.502 9.957 -4.962 1.00 0.00 C ATOM 1587 C PRO A 105 2.031 8.529 -5.036 1.00 0.00 C ATOM 1588 O PRO A 105 2.081 7.931 -6.111 1.00 0.00 O ATOM 1589 CB PRO A 105 0.276 10.120 -5.863 1.00 0.00 C ATOM 1590 CG PRO A 105 0.816 10.655 -7.145 1.00 0.00 C ATOM 1591 CD PRO A 105 1.989 11.518 -6.772 1.00 0.00 C ATOM 0 HA PRO A 105 1.298 10.130 -3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.233 9.168 -6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.450 10.804 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.122 9.845 -7.808 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.060 11.233 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.767 11.490 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.698 12.561 -6.651 1.00 0.00 H new ATOM 1599 N MET A 106 2.426 7.988 -3.888 1.00 0.00 N ATOM 1600 CA MET A 106 2.950 6.629 -3.824 1.00 0.00 C ATOM 1601 C MET A 106 1.880 5.656 -3.336 1.00 0.00 C ATOM 1602 O MET A 106 1.938 4.460 -3.622 1.00 0.00 O ATOM 1603 CB MET A 106 4.167 6.572 -2.899 1.00 0.00 C ATOM 1604 CG MET A 106 3.890 7.090 -1.497 1.00 0.00 C ATOM 1605 SD MET A 106 4.159 8.866 -1.347 1.00 0.00 S ATOM 1606 CE MET A 106 5.946 8.931 -1.244 1.00 0.00 C ATOM 0 H MET A 106 2.393 8.470 -2.990 1.00 0.00 H new ATOM 0 HA MET A 106 3.252 6.335 -4.829 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.516 5.541 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.976 7.155 -3.340 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.860 6.858 -1.225 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.532 6.568 -0.788 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.289 9.933 -1.502 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.261 8.690 -0.229 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.377 8.210 -1.939 1.00 0.00 H new ATOM 1616 N VAL A 107 0.905 6.177 -2.598 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.177 5.355 -2.071 1.00 0.00 C ATOM 1618 C VAL A 107 -0.708 4.399 -3.133 1.00 0.00 C ATOM 1619 O VAL A 107 -0.901 3.210 -2.874 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.339 6.222 -1.551 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.501 5.348 -1.107 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.868 7.115 -0.413 1.00 0.00 C ATOM 0 H VAL A 107 0.843 7.165 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 107 0.237 4.780 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.686 6.860 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.312 5.979 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.853 4.755 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.172 4.683 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.701 7.721 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.494 6.497 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.071 7.768 -0.769 1.00 0.00 H new ATOM 1632 N HIS A 108 -0.942 4.925 -4.331 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.450 4.117 -5.435 1.00 0.00 C ATOM 1634 C HIS A 108 -0.342 3.253 -6.030 1.00 0.00 C ATOM 1635 O HIS A 108 -0.385 2.027 -5.943 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.050 5.015 -6.517 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.803 4.261 -7.571 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.648 4.498 -8.920 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.718 3.270 -7.466 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.438 3.686 -9.600 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -4.097 2.930 -8.741 1.00 0.00 N ATOM 0 H HIS A 108 -0.788 5.906 -4.562 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.228 3.461 -5.045 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.720 5.736 -6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.250 5.584 -6.990 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -2.022 5.191 -9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.082 2.829 -6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.529 3.647 -10.675 1.00 0.00 H new ATOM 1650 N GLU A 109 0.648 3.902 -6.636 1.00 0.00 N ATOM 1651 CA GLU A 109 1.765 3.192 -7.247 1.00 0.00 C ATOM 1652 C GLU A 109 2.167 1.984 -6.406 1.00 0.00 C ATOM 1653 O GLU A 109 2.234 0.860 -6.905 1.00 0.00 O ATOM 1654 CB GLU A 109 2.962 4.130 -7.417 1.00 0.00 C ATOM 1655 CG GLU A 109 2.867 5.022 -8.643 1.00 0.00 C ATOM 1656 CD GLU A 109 2.808 4.233 -9.936 1.00 0.00 C ATOM 1657 OE1 GLU A 109 3.672 3.354 -10.136 1.00 0.00 O ATOM 1658 OE2 GLU A 109 1.896 4.494 -10.749 1.00 0.00 O ATOM 0 H GLU A 109 0.699 4.918 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 109 1.446 2.840 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.052 4.756 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.873 3.535 -7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.979 5.649 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.728 5.690 -8.669 1.00 0.00 H new ATOM 1665 N LEU A 110 2.434 2.223 -5.127 1.00 0.00 N ATOM 1666 CA LEU A 110 2.830 1.156 -4.215 1.00 0.00 C ATOM 1667 C LEU A 110 1.888 -0.038 -4.333 1.00 0.00 C ATOM 1668 O LEU A 110 2.329 -1.185 -4.417 1.00 0.00 O ATOM 1669 CB LEU A 110 2.844 1.668 -2.774 1.00 0.00 C ATOM 1670 CG LEU A 110 3.936 2.683 -2.433 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.587 3.434 -1.157 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.284 1.990 -2.295 1.00 0.00 C ATOM 0 H LEU A 110 2.383 3.147 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 110 3.834 0.832 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.876 2.121 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.950 0.813 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 110 4.003 3.404 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.375 4.152 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.643 3.962 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.492 2.727 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.049 2.727 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.231 1.247 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.538 1.499 -3.234 1.00 0.00 H new ATOM 1684 N VAL A 111 0.588 0.238 -4.340 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.417 -0.813 -4.451 1.00 0.00 C ATOM 1686 C VAL A 111 -0.234 -1.614 -5.735 1.00 0.00 C ATOM 1687 O VAL A 111 0.134 -2.789 -5.699 1.00 0.00 O ATOM 1688 CB VAL A 111 -1.843 -0.231 -4.421 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -2.854 -1.274 -4.873 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.179 0.282 -3.029 1.00 0.00 C ATOM 0 H VAL A 111 0.206 1.181 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.283 -1.472 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.890 0.609 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.856 -0.845 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.622 -1.589 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.810 -2.136 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.190 0.690 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.116 -0.538 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.472 1.063 -2.748 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.492 -0.972 -6.869 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.355 -1.625 -8.166 1.00 0.00 C ATOM 1702 C LEU A 112 1.027 -2.254 -8.316 1.00 0.00 C ATOM 1703 O LEU A 112 1.209 -3.199 -9.083 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.595 -0.619 -9.293 1.00 0.00 C ATOM 1705 CG LEU A 112 -2.050 -0.216 -9.535 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -2.138 0.842 -10.624 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.887 -1.433 -9.902 1.00 0.00 C ATOM 0 H LEU A 112 -0.797 0.000 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.102 -2.416 -8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.021 0.282 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.196 -1.037 -10.217 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.447 0.208 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.181 1.116 -10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.573 1.724 -10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.723 0.446 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.920 -1.127 -10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.490 -1.887 -10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.852 -2.158 -9.089 1.00 0.00 H new ATOM 1719 N TRP A 113 1.995 -1.724 -7.579 1.00 0.00 N ATOM 1720 CA TRP A 113 3.360 -2.235 -7.628 1.00 0.00 C ATOM 1721 C TRP A 113 3.447 -3.617 -6.990 1.00 0.00 C ATOM 1722 O TRP A 113 3.695 -4.611 -7.673 1.00 0.00 O ATOM 1723 CB TRP A 113 4.314 -1.271 -6.920 1.00 0.00 C ATOM 1724 CG TRP A 113 5.726 -1.770 -6.859 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.581 -1.939 -7.911 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.445 -2.166 -5.687 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.789 -2.416 -7.462 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.731 -2.564 -6.101 1.00 0.00 C ATOM 1729 CE3 TRP A 113 6.129 -2.222 -4.327 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.697 -3.011 -5.204 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 7.088 -2.667 -3.437 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.360 -3.056 -3.878 1.00 0.00 C ATOM 0 H TRP A 113 1.861 -0.940 -6.940 1.00 0.00 H new ATOM 0 HA TRP A 113 3.652 -2.320 -8.675 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.298 -0.311 -7.436 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.955 -1.095 -5.906 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.343 -1.729 -8.943 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.598 -2.626 -8.047 1.00 0.00 H new ATOM 0 HE3 TRP A 113 5.152 -1.923 -3.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.678 -3.312 -5.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.853 -2.716 -2.384 1.00 0.00 H new ATOM 0 HH2 TRP A 113 9.089 -3.398 -3.158 1.00 0.00 H new ATOM 1743 N ILE A 114 3.243 -3.672 -5.678 1.00 0.00 N ATOM 1744 CA ILE A 114 3.297 -4.933 -4.949 1.00 0.00 C ATOM 1745 C ILE A 114 2.242 -5.909 -5.459 1.00 0.00 C ATOM 1746 O ILE A 114 2.549 -7.054 -5.789 1.00 0.00 O ATOM 1747 CB ILE A 114 3.095 -4.719 -3.438 1.00 0.00 C ATOM 1748 CG1 ILE A 114 3.216 -6.049 -2.691 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.742 -4.077 -3.170 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.643 -6.435 -2.372 1.00 0.00 C ATOM 0 H ILE A 114 3.039 -2.858 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 114 4.289 -5.353 -5.118 1.00 0.00 H new ATOM 0 HB ILE A 114 3.873 -4.047 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.648 -5.988 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.761 -6.836 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.614 -3.932 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.691 -3.112 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.951 -4.726 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.653 -7.388 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.210 -6.529 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.096 -5.667 -1.745 1.00 0.00 H new ATOM 1762 N GLN A 115 0.997 -5.446 -5.522 1.00 0.00 N ATOM 1763 CA GLN A 115 -0.104 -6.278 -5.993 1.00 0.00 C ATOM 1764 C GLN A 115 0.269 -6.992 -7.288 1.00 0.00 C ATOM 1765 O GLN A 115 -0.293 -8.037 -7.615 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.357 -5.428 -6.207 1.00 0.00 C ATOM 1767 CG GLN A 115 -1.974 -4.916 -4.915 1.00 0.00 C ATOM 1768 CD GLN A 115 -2.265 -6.028 -3.927 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -1.455 -6.320 -3.046 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -3.427 -6.655 -4.067 1.00 0.00 N ATOM 0 H GLN A 115 0.726 -4.500 -5.253 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.310 -7.030 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -1.105 -4.578 -6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.099 -6.018 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.299 -4.194 -4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -2.899 -4.387 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.068 -6.380 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -3.678 -7.411 -3.430 1.00 0.00 H new ATOM 1779 N GLN A 116 1.219 -6.420 -8.021 1.00 0.00 N ATOM 1780 CA GLN A 116 1.665 -7.002 -9.281 1.00 0.00 C ATOM 1781 C GLN A 116 2.942 -7.812 -9.085 1.00 0.00 C ATOM 1782 O GLN A 116 3.117 -8.870 -9.688 1.00 0.00 O ATOM 1783 CB GLN A 116 1.898 -5.904 -10.320 1.00 0.00 C ATOM 1784 CG GLN A 116 0.629 -5.457 -11.028 1.00 0.00 C ATOM 1785 CD GLN A 116 0.073 -6.520 -11.955 1.00 0.00 C ATOM 1786 OE1 GLN A 116 -0.851 -7.251 -11.596 1.00 0.00 O ATOM 1787 NE2 GLN A 116 0.634 -6.612 -13.155 1.00 0.00 N ATOM 0 H GLN A 116 1.694 -5.555 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 116 0.883 -7.672 -9.639 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.354 -5.043 -9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.611 -6.263 -11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.125 -5.198 -10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.836 -4.553 -11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 116 1.397 -5.986 -13.410 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.302 -7.309 -13.821 1.00 0.00 H new ATOM 1796 N ASN A 117 3.833 -7.307 -8.237 1.00 0.00 N ATOM 1797 CA ASN A 117 5.095 -7.984 -7.962 1.00 0.00 C ATOM 1798 C ASN A 117 5.210 -8.341 -6.483 1.00 0.00 C ATOM 1799 O ASN A 117 6.177 -7.971 -5.817 1.00 0.00 O ATOM 1800 CB ASN A 117 6.273 -7.099 -8.377 1.00 0.00 C ATOM 1801 CG ASN A 117 5.990 -5.624 -8.169 1.00 0.00 C ATOM 1802 OD1 ASN A 117 6.035 -5.125 -7.045 1.00 0.00 O ATOM 1803 ND2 ASN A 117 5.696 -4.919 -9.255 1.00 0.00 N ATOM 0 H ASN A 117 3.704 -6.432 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 117 5.118 -8.906 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 117 7.156 -7.381 -7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.505 -7.277 -9.427 1.00 0.00 H new ATOM 0 HD21 ASN A 117 5.496 -3.922 -9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.670 -5.375 -10.167 1.00 0.00 H new ATOM 1810 N LEU A 118 4.217 -9.064 -5.977 1.00 0.00 N ATOM 1811 CA LEU A 118 4.206 -9.473 -4.576 1.00 0.00 C ATOM 1812 C LEU A 118 5.053 -10.724 -4.368 1.00 0.00 C ATOM 1813 O LEU A 118 5.826 -10.810 -3.413 1.00 0.00 O ATOM 1814 CB LEU A 118 2.772 -9.731 -4.112 1.00 0.00 C ATOM 1815 CG LEU A 118 2.547 -9.740 -2.599 1.00 0.00 C ATOM 1816 CD1 LEU A 118 1.096 -9.424 -2.273 1.00 0.00 C ATOM 1817 CD2 LEU A 118 2.948 -11.083 -2.008 1.00 0.00 C ATOM 0 H LEU A 118 3.410 -9.379 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 118 4.634 -8.665 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.127 -8.970 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.449 -10.692 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 118 3.174 -8.968 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.955 -9.435 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.842 -8.438 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.449 -10.172 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.781 -11.071 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.348 -11.873 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 118 4.003 -11.269 -2.210 1.00 0.00 H new ATOM 1829 N ARG A 119 4.904 -11.690 -5.268 1.00 0.00 N ATOM 1830 CA ARG A 119 5.657 -12.936 -5.183 1.00 0.00 C ATOM 1831 C ARG A 119 7.158 -12.663 -5.141 1.00 0.00 C ATOM 1832 O ARG A 119 7.889 -13.278 -4.365 1.00 0.00 O ATOM 1833 CB ARG A 119 5.326 -13.838 -6.373 1.00 0.00 C ATOM 1834 CG ARG A 119 5.482 -13.152 -7.720 1.00 0.00 C ATOM 1835 CD ARG A 119 4.541 -13.743 -8.759 1.00 0.00 C ATOM 1836 NE ARG A 119 4.650 -13.063 -10.047 1.00 0.00 N ATOM 1837 CZ ARG A 119 3.883 -13.344 -11.094 1.00 0.00 C ATOM 1838 NH1 ARG A 119 2.955 -14.287 -11.006 1.00 0.00 N ATOM 1839 NH2 ARG A 119 4.043 -12.681 -12.232 1.00 0.00 N ATOM 0 H ARG A 119 4.269 -11.634 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 119 5.371 -13.442 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.973 -14.715 -6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.301 -14.195 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 119 5.283 -12.086 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.512 -13.251 -8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.763 -14.802 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.515 -13.675 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 119 5.354 -12.332 -10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.829 -14.799 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.367 -14.501 -11.812 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.756 -11.955 -12.303 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.453 -12.898 -13.036 1.00 0.00 H new ATOM 1853 N HIS A 120 7.610 -11.737 -5.980 1.00 0.00 N ATOM 1854 CA HIS A 120 9.023 -11.382 -6.039 1.00 0.00 C ATOM 1855 C HIS A 120 9.596 -11.202 -4.636 1.00 0.00 C ATOM 1856 O HIS A 120 10.560 -11.870 -4.259 1.00 0.00 O ATOM 1857 CB HIS A 120 9.216 -10.100 -6.849 1.00 0.00 C ATOM 1858 CG HIS A 120 10.582 -9.971 -7.451 1.00 0.00 C ATOM 1859 ND1 HIS A 120 10.794 -9.752 -8.796 1.00 0.00 N ATOM 1860 CD2 HIS A 120 11.809 -10.031 -6.882 1.00 0.00 C ATOM 1861 CE1 HIS A 120 12.092 -9.684 -9.029 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.730 -9.849 -7.884 1.00 0.00 N ATOM 0 H HIS A 120 7.018 -11.219 -6.629 1.00 0.00 H new ATOM 0 HA HIS A 120 9.557 -12.196 -6.530 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.473 -10.068 -7.645 1.00 0.00 H new ATOM 0 HB3 HIS A 120 9.030 -9.241 -6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 120 12.023 -10.192 -5.836 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.553 -9.521 -9.992 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.743 -9.842 -7.764 1.00 0.00 H new ATOM 1871 N ILE A 121 8.999 -10.296 -3.870 1.00 0.00 N ATOM 1872 CA ILE A 121 9.450 -10.030 -2.509 1.00 0.00 C ATOM 1873 C ILE A 121 9.396 -11.292 -1.655 1.00 0.00 C ATOM 1874 O ILE A 121 10.324 -11.583 -0.899 1.00 0.00 O ATOM 1875 CB ILE A 121 8.601 -8.934 -1.839 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.754 -7.609 -2.590 1.00 0.00 C ATOM 1877 CG2 ILE A 121 9.002 -8.771 -0.381 1.00 0.00 C ATOM 1878 CD1 ILE A 121 7.768 -6.549 -2.152 1.00 0.00 C ATOM 0 H ILE A 121 8.202 -9.734 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 121 10.482 -9.686 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 121 7.553 -9.233 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.767 -7.233 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.631 -7.790 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.393 -7.993 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.847 -9.712 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 121 10.054 -8.491 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.935 -5.638 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.752 -6.905 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.906 -6.340 -1.091 1.00 0.00 H new ATOM 1890 N LEU A 122 8.305 -12.039 -1.782 1.00 0.00 N ATOM 1891 CA LEU A 122 8.131 -13.273 -1.023 1.00 0.00 C ATOM 1892 C LEU A 122 8.826 -14.441 -1.714 1.00 0.00 C ATOM 1893 O LEU A 122 8.339 -15.571 -1.685 1.00 0.00 O ATOM 1894 CB LEU A 122 6.643 -13.581 -0.848 1.00 0.00 C ATOM 1895 CG LEU A 122 5.939 -12.863 0.304 1.00 0.00 C ATOM 1896 CD1 LEU A 122 4.437 -13.090 0.237 1.00 0.00 C ATOM 1897 CD2 LEU A 122 6.492 -13.333 1.642 1.00 0.00 C ATOM 0 H LEU A 122 7.528 -11.812 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 122 8.585 -13.134 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.129 -13.328 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.530 -14.655 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 122 6.128 -11.794 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.953 -12.571 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.052 -12.704 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 122 4.227 -14.157 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.980 -12.812 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.333 -14.407 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.559 -13.118 1.690 1.00 0.00 H new