USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 768 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 77 GLN : amide:sc= -0.21 K(o=1,f=-2!) USER MOD Set 1.2: A 79 SER OG : rot 76:sc= 1.25 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.78 K(o=-2.8,f=-12!) USER MOD Single : A 43 TYR OH : rot -20:sc= -1.23! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 100:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.0083) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 93 THR OG1 : rot 75:sc= 0.556 USER MOD Single : A 96 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.27) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -133:sc= -3.64! (180deg=-5.79!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.801 22.968 3.660 1.00 0.00 N ATOM 109 CA TRP A 11 0.388 21.620 3.287 1.00 0.00 C ATOM 110 C TRP A 11 1.066 20.579 4.170 1.00 0.00 C ATOM 111 O TRP A 11 2.293 20.509 4.235 1.00 0.00 O ATOM 112 CB TRP A 11 0.716 21.352 1.817 1.00 0.00 C ATOM 113 CG TRP A 11 -0.153 20.300 1.197 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.019 19.466 1.844 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.238 19.969 -0.193 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.638 18.636 0.940 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.176 18.926 -0.317 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.385 20.454 -1.346 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.503 18.360 -1.547 1.00 0.00 C ATOM 120 CZ3 TRP A 11 0.060 19.892 -2.566 1.00 0.00 C ATOM 121 CH2 TRP A 11 -0.878 18.855 -2.659 1.00 0.00 C ATOM 0 HA TRP A 11 -0.690 21.544 3.431 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.610 22.279 1.254 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.759 21.046 1.735 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.192 19.459 2.910 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.329 17.921 1.168 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.108 21.254 -1.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.224 17.559 -1.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.537 20.258 -3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.112 18.438 -3.627 1.00 0.00 H new ATOM 132 N VAL A 12 0.259 19.769 4.850 1.00 0.00 N ATOM 133 CA VAL A 12 0.782 18.730 5.729 1.00 0.00 C ATOM 134 C VAL A 12 1.402 17.592 4.926 1.00 0.00 C ATOM 135 O VAL A 12 2.450 17.058 5.292 1.00 0.00 O ATOM 136 CB VAL A 12 -0.320 18.159 6.641 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.158 16.886 7.322 1.00 0.00 C ATOM 138 CG2 VAL A 12 -0.749 19.195 7.669 1.00 0.00 C ATOM 0 H VAL A 12 -0.759 19.813 4.808 1.00 0.00 H new ATOM 0 HA VAL A 12 1.550 19.195 6.347 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.185 17.911 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.634 16.497 7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.412 16.143 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.039 17.105 7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.528 18.775 8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.108 19.476 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.134 20.077 7.158 1.00 0.00 H new ATOM 148 N LEU A 13 0.749 17.226 3.828 1.00 0.00 N ATOM 149 CA LEU A 13 1.236 16.150 2.972 1.00 0.00 C ATOM 150 C LEU A 13 2.759 16.176 2.878 1.00 0.00 C ATOM 151 O LEU A 13 3.444 15.223 3.249 1.00 0.00 O ATOM 152 CB LEU A 13 0.626 16.269 1.574 1.00 0.00 C ATOM 153 CG LEU A 13 1.512 15.816 0.413 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.637 14.300 0.397 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.958 16.322 -0.910 1.00 0.00 C ATOM 0 H LEU A 13 -0.118 17.658 3.510 1.00 0.00 H new ATOM 0 HA LEU A 13 0.934 15.201 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.295 15.686 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.349 17.310 1.408 1.00 0.00 H new ATOM 0 HG LEU A 13 2.506 16.240 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.271 13.996 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.081 13.962 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.649 13.855 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.601 15.990 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.047 15.928 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.922 17.411 -0.897 1.00 0.00 H new ATOM 167 N PRO A 14 3.302 17.293 2.372 1.00 0.00 N ATOM 168 CA PRO A 14 4.749 17.471 2.220 1.00 0.00 C ATOM 169 C PRO A 14 5.459 17.616 3.561 1.00 0.00 C ATOM 170 O PRO A 14 6.650 17.327 3.679 1.00 0.00 O ATOM 171 CB PRO A 14 4.864 18.766 1.411 1.00 0.00 C ATOM 172 CG PRO A 14 3.610 19.512 1.709 1.00 0.00 C ATOM 173 CD PRO A 14 2.545 18.469 1.909 1.00 0.00 C ATOM 0 HA PRO A 14 5.218 16.611 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.744 19.339 1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.958 18.560 0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.725 20.128 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.351 20.182 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.805 18.786 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.007 18.262 0.984 1.00 0.00 H new ATOM 181 N SER A 15 4.720 18.066 4.571 1.00 0.00 N ATOM 182 CA SER A 15 5.281 18.252 5.904 1.00 0.00 C ATOM 183 C SER A 15 5.617 16.909 6.545 1.00 0.00 C ATOM 184 O SER A 15 6.526 16.814 7.369 1.00 0.00 O ATOM 185 CB SER A 15 4.299 19.022 6.790 1.00 0.00 C ATOM 186 OG SER A 15 4.955 19.577 7.917 1.00 0.00 O ATOM 0 H SER A 15 3.732 18.308 4.491 1.00 0.00 H new ATOM 0 HA SER A 15 6.201 18.828 5.807 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.829 19.817 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.503 18.355 7.121 1.00 0.00 H new ATOM 0 HG SER A 15 4.306 20.065 8.466 1.00 0.00 H new ATOM 192 N GLU A 16 4.876 15.875 6.160 1.00 0.00 N ATOM 193 CA GLU A 16 5.095 14.537 6.698 1.00 0.00 C ATOM 194 C GLU A 16 6.055 13.746 5.814 1.00 0.00 C ATOM 195 O GLU A 16 6.958 13.071 6.307 1.00 0.00 O ATOM 196 CB GLU A 16 3.766 13.790 6.823 1.00 0.00 C ATOM 197 CG GLU A 16 3.890 12.435 7.498 1.00 0.00 C ATOM 198 CD GLU A 16 4.146 12.547 8.989 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.748 13.570 9.584 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.744 11.611 9.559 1.00 0.00 O ATOM 0 H GLU A 16 4.120 15.938 5.478 1.00 0.00 H new ATOM 0 HA GLU A 16 5.540 14.639 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.065 14.405 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.341 13.653 5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.976 11.866 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.703 11.875 7.035 1.00 0.00 H new ATOM 207 N VAL A 17 5.852 13.834 4.503 1.00 0.00 N ATOM 208 CA VAL A 17 6.698 13.127 3.549 1.00 0.00 C ATOM 209 C VAL A 17 8.175 13.339 3.862 1.00 0.00 C ATOM 210 O VAL A 17 8.988 12.428 3.712 1.00 0.00 O ATOM 211 CB VAL A 17 6.420 13.585 2.105 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.329 12.855 1.128 1.00 0.00 C ATOM 213 CG2 VAL A 17 4.957 13.367 1.750 1.00 0.00 C ATOM 0 H VAL A 17 5.109 14.388 4.078 1.00 0.00 H new ATOM 0 HA VAL A 17 6.459 12.067 3.639 1.00 0.00 H new ATOM 0 HB VAL A 17 6.633 14.652 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.118 13.192 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.370 13.067 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.152 11.782 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.778 13.696 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.715 12.308 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.328 13.941 2.431 1.00 0.00 H new ATOM 223 N GLU A 18 8.514 14.548 4.299 1.00 0.00 N ATOM 224 CA GLU A 18 9.894 14.880 4.633 1.00 0.00 C ATOM 225 C GLU A 18 10.416 13.976 5.746 1.00 0.00 C ATOM 226 O GLU A 18 11.580 13.573 5.740 1.00 0.00 O ATOM 227 CB GLU A 18 10.001 16.346 5.059 1.00 0.00 C ATOM 228 CG GLU A 18 8.939 16.768 6.060 1.00 0.00 C ATOM 229 CD GLU A 18 9.153 18.177 6.578 1.00 0.00 C ATOM 230 OE1 GLU A 18 8.864 19.134 5.830 1.00 0.00 O ATOM 231 OE2 GLU A 18 9.609 18.322 7.731 1.00 0.00 O ATOM 0 H GLU A 18 7.852 15.313 4.430 1.00 0.00 H new ATOM 0 HA GLU A 18 10.504 14.723 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.986 16.519 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.927 16.979 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.957 16.702 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.939 16.072 6.899 1.00 0.00 H new ATOM 238 N VAL A 19 9.547 13.662 6.702 1.00 0.00 N ATOM 239 CA VAL A 19 9.919 12.805 7.822 1.00 0.00 C ATOM 240 C VAL A 19 9.743 11.333 7.470 1.00 0.00 C ATOM 241 O VAL A 19 10.419 10.465 8.024 1.00 0.00 O ATOM 242 CB VAL A 19 9.083 13.126 9.075 1.00 0.00 C ATOM 243 CG1 VAL A 19 7.619 12.789 8.841 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.625 12.376 10.282 1.00 0.00 C ATOM 0 H VAL A 19 8.581 13.988 6.723 1.00 0.00 H new ATOM 0 HA VAL A 19 10.970 13.001 8.035 1.00 0.00 H new ATOM 0 HB VAL A 19 9.157 14.195 9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.044 13.023 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.240 13.375 8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.522 11.727 8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.023 12.614 11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.583 11.303 10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.659 12.672 10.460 1.00 0.00 H new ATOM 254 N LEU A 20 8.831 11.056 6.544 1.00 0.00 N ATOM 255 CA LEU A 20 8.565 9.687 6.117 1.00 0.00 C ATOM 256 C LEU A 20 9.739 9.129 5.318 1.00 0.00 C ATOM 257 O LEU A 20 10.313 8.102 5.678 1.00 0.00 O ATOM 258 CB LEU A 20 7.289 9.634 5.275 1.00 0.00 C ATOM 259 CG LEU A 20 5.973 9.589 6.052 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.800 9.898 5.135 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.791 8.231 6.715 1.00 0.00 C ATOM 0 H LEU A 20 8.263 11.762 6.075 1.00 0.00 H new ATOM 0 HA LEU A 20 8.431 9.073 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.272 10.506 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.338 8.755 4.632 1.00 0.00 H new ATOM 0 HG LEU A 20 6.008 10.350 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.872 9.861 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.924 10.893 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.762 9.161 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.849 8.217 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.778 7.452 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.615 8.049 7.405 1.00 0.00 H new ATOM 273 N GLU A 21 10.090 9.814 4.234 1.00 0.00 N ATOM 274 CA GLU A 21 11.196 9.386 3.386 1.00 0.00 C ATOM 275 C GLU A 21 12.393 8.956 4.230 1.00 0.00 C ATOM 276 O GLU A 21 13.010 7.923 3.970 1.00 0.00 O ATOM 277 CB GLU A 21 11.606 10.513 2.437 1.00 0.00 C ATOM 278 CG GLU A 21 10.766 10.580 1.173 1.00 0.00 C ATOM 279 CD GLU A 21 11.474 11.295 0.038 1.00 0.00 C ATOM 280 OE1 GLU A 21 12.101 12.343 0.296 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.402 10.804 -1.108 1.00 0.00 O ATOM 0 H GLU A 21 9.625 10.667 3.923 1.00 0.00 H new ATOM 0 HA GLU A 21 10.861 8.531 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.532 11.465 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.652 10.382 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.511 9.568 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.829 11.092 1.391 1.00 0.00 H new ATOM 288 N SER A 22 12.716 9.757 5.240 1.00 0.00 N ATOM 289 CA SER A 22 13.842 9.463 6.119 1.00 0.00 C ATOM 290 C SER A 22 13.805 8.009 6.581 1.00 0.00 C ATOM 291 O SER A 22 14.844 7.360 6.707 1.00 0.00 O ATOM 292 CB SER A 22 13.826 10.395 7.332 1.00 0.00 C ATOM 293 OG SER A 22 14.838 10.043 8.259 1.00 0.00 O ATOM 0 H SER A 22 12.214 10.615 5.470 1.00 0.00 H new ATOM 0 HA SER A 22 14.762 9.625 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.970 11.425 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.851 10.348 7.818 1.00 0.00 H new ATOM 0 HG SER A 22 14.808 10.654 9.024 1.00 0.00 H new ATOM 299 N ILE A 23 12.602 7.505 6.831 1.00 0.00 N ATOM 300 CA ILE A 23 12.429 6.128 7.278 1.00 0.00 C ATOM 301 C ILE A 23 12.194 5.192 6.097 1.00 0.00 C ATOM 302 O ILE A 23 12.917 4.213 5.914 1.00 0.00 O ATOM 303 CB ILE A 23 11.251 5.999 8.262 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.487 6.879 9.491 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.060 4.547 8.672 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.232 7.150 10.290 1.00 0.00 C ATOM 0 H ILE A 23 11.732 8.029 6.732 1.00 0.00 H new ATOM 0 HA ILE A 23 13.350 5.844 7.787 1.00 0.00 H new ATOM 0 HB ILE A 23 10.342 6.338 7.765 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.222 6.398 10.136 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.916 7.828 9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.224 4.472 9.367 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.852 3.944 7.788 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.967 4.183 9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.475 7.780 11.146 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.503 7.659 9.660 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.813 6.207 10.641 1.00 0.00 H new ATOM 318 N TYR A 24 11.180 5.502 5.297 1.00 0.00 N ATOM 319 CA TYR A 24 10.849 4.688 4.133 1.00 0.00 C ATOM 320 C TYR A 24 11.616 5.161 2.902 1.00 0.00 C ATOM 321 O TYR A 24 11.089 5.161 1.788 1.00 0.00 O ATOM 322 CB TYR A 24 9.345 4.739 3.860 1.00 0.00 C ATOM 323 CG TYR A 24 8.498 4.430 5.075 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.490 3.159 5.635 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.708 5.411 5.662 1.00 0.00 C ATOM 326 CE1 TYR A 24 7.718 2.873 6.744 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.934 5.134 6.772 1.00 0.00 C ATOM 328 CZ TYR A 24 6.942 3.863 7.309 1.00 0.00 C ATOM 329 OH TYR A 24 6.172 3.582 8.415 1.00 0.00 O ATOM 0 H TYR A 24 10.573 6.311 5.433 1.00 0.00 H new ATOM 0 HA TYR A 24 11.138 3.659 4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.085 5.730 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.103 4.029 3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.098 2.381 5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.699 6.407 5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.722 1.879 7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.326 5.908 7.217 1.00 0.00 H new ATOM 0 HH TYR A 24 5.687 4.388 8.689 1.00 0.00 H new ATOM 339 N LEU A 25 12.865 5.564 3.110 1.00 0.00 N ATOM 340 CA LEU A 25 13.707 6.039 2.018 1.00 0.00 C ATOM 341 C LEU A 25 13.413 5.276 0.731 1.00 0.00 C ATOM 342 O LEU A 25 12.872 5.835 -0.224 1.00 0.00 O ATOM 343 CB LEU A 25 15.185 5.890 2.386 1.00 0.00 C ATOM 344 CG LEU A 25 15.794 7.036 3.195 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.122 6.612 3.803 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.973 8.269 2.322 1.00 0.00 C ATOM 0 H LEU A 25 13.317 5.571 4.025 1.00 0.00 H new ATOM 0 HA LEU A 25 13.484 7.093 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.306 4.967 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.758 5.777 1.466 1.00 0.00 H new ATOM 0 HG LEU A 25 15.110 7.287 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.541 7.440 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.964 5.758 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.814 6.334 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.407 9.074 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.636 8.032 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.004 8.585 1.936 1.00 0.00 H new ATOM 358 N ASP A 26 13.769 3.997 0.713 1.00 0.00 N ATOM 359 CA ASP A 26 13.540 3.155 -0.456 1.00 0.00 C ATOM 360 C ASP A 26 12.193 2.446 -0.360 1.00 0.00 C ATOM 361 O ASP A 26 11.378 2.513 -1.280 1.00 0.00 O ATOM 362 CB ASP A 26 14.663 2.127 -0.599 1.00 0.00 C ATOM 363 CG ASP A 26 15.060 1.515 0.730 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.961 2.072 1.394 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.471 0.482 1.107 1.00 0.00 O ATOM 0 H ASP A 26 14.218 3.520 1.495 1.00 0.00 H new ATOM 0 HA ASP A 26 13.531 3.796 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.344 1.337 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.533 2.604 -1.050 1.00 0.00 H new ATOM 370 N GLU A 27 11.966 1.767 0.761 1.00 0.00 N ATOM 371 CA GLU A 27 10.718 1.044 0.976 1.00 0.00 C ATOM 372 C GLU A 27 9.540 1.799 0.367 1.00 0.00 C ATOM 373 O GLU A 27 8.603 1.194 -0.154 1.00 0.00 O ATOM 374 CB GLU A 27 10.481 0.825 2.471 1.00 0.00 C ATOM 375 CG GLU A 27 11.617 0.095 3.168 1.00 0.00 C ATOM 376 CD GLU A 27 11.299 -0.235 4.613 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.421 -1.092 4.846 1.00 0.00 O ATOM 378 OE2 GLU A 27 11.927 0.365 5.511 1.00 0.00 O ATOM 0 H GLU A 27 12.629 1.703 1.533 1.00 0.00 H new ATOM 0 HA GLU A 27 10.799 0.075 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.333 1.792 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.560 0.258 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.837 -0.826 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.517 0.709 3.129 1.00 0.00 H new ATOM 385 N LEU A 28 9.595 3.124 0.438 1.00 0.00 N ATOM 386 CA LEU A 28 8.533 3.964 -0.105 1.00 0.00 C ATOM 387 C LEU A 28 9.100 5.015 -1.054 1.00 0.00 C ATOM 388 O LEU A 28 10.188 5.544 -0.829 1.00 0.00 O ATOM 389 CB LEU A 28 7.765 4.646 1.029 1.00 0.00 C ATOM 390 CG LEU A 28 6.645 5.596 0.604 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.548 5.633 1.657 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.196 6.993 0.357 1.00 0.00 C ATOM 0 H LEU A 28 10.364 3.640 0.866 1.00 0.00 H new ATOM 0 HA LEU A 28 7.850 3.326 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.336 3.873 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.476 5.204 1.638 1.00 0.00 H new ATOM 0 HG LEU A 28 6.215 5.226 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.760 6.314 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.133 4.633 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.964 5.978 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.385 7.656 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.653 7.371 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.946 6.954 -0.433 1.00 0.00 H new ATOM 404 N GLN A 29 8.355 5.312 -2.113 1.00 0.00 N ATOM 405 CA GLN A 29 8.784 6.301 -3.095 1.00 0.00 C ATOM 406 C GLN A 29 7.834 7.494 -3.118 1.00 0.00 C ATOM 407 O GLN A 29 6.675 7.385 -2.718 1.00 0.00 O ATOM 408 CB GLN A 29 8.861 5.669 -4.486 1.00 0.00 C ATOM 409 CG GLN A 29 10.094 4.805 -4.694 1.00 0.00 C ATOM 410 CD GLN A 29 9.907 3.389 -4.186 1.00 0.00 C ATOM 411 OE1 GLN A 29 9.644 3.171 -3.003 1.00 0.00 O ATOM 412 NE2 GLN A 29 10.041 2.416 -5.080 1.00 0.00 N ATOM 0 H GLN A 29 7.452 4.882 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 29 9.774 6.654 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.970 5.062 -4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.851 6.460 -5.236 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.338 4.777 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.943 5.261 -4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.259 2.642 -6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.925 1.443 -4.796 1.00 0.00 H new ATOM 421 N VAL A 30 8.333 8.633 -3.587 1.00 0.00 N ATOM 422 CA VAL A 30 7.529 9.846 -3.662 1.00 0.00 C ATOM 423 C VAL A 30 7.738 10.563 -4.991 1.00 0.00 C ATOM 424 O VAL A 30 8.820 10.505 -5.575 1.00 0.00 O ATOM 425 CB VAL A 30 7.863 10.814 -2.511 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.987 12.055 -2.584 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.705 10.118 -1.168 1.00 0.00 C ATOM 0 H VAL A 30 9.291 8.741 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 30 6.486 9.539 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 30 8.902 11.127 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.238 12.726 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.155 12.564 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.939 11.765 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.945 10.816 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.677 9.775 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.380 9.264 -1.119 1.00 0.00 H new ATOM 437 N ILE A 31 6.696 11.239 -5.463 1.00 0.00 N ATOM 438 CA ILE A 31 6.767 11.969 -6.723 1.00 0.00 C ATOM 439 C ILE A 31 6.340 13.422 -6.541 1.00 0.00 C ATOM 440 O ILE A 31 5.156 13.748 -6.621 1.00 0.00 O ATOM 441 CB ILE A 31 5.881 11.317 -7.801 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.205 9.827 -7.925 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.072 12.019 -9.138 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.481 9.546 -8.687 1.00 0.00 C ATOM 0 H ILE A 31 5.793 11.296 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 31 7.807 11.936 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 31 4.837 11.419 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.286 9.397 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.376 9.324 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.440 11.547 -9.890 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.798 13.069 -9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.116 11.944 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.647 8.470 -8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.397 9.946 -9.698 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.320 10.020 -8.178 1.00 0.00 H new ATOM 569 N TRP A 40 0.035 14.659 -5.693 1.00 0.00 N ATOM 570 CA TRP A 40 1.270 13.924 -5.445 1.00 0.00 C ATOM 571 C TRP A 40 1.054 12.424 -5.611 1.00 0.00 C ATOM 572 O TRP A 40 -0.079 11.964 -5.750 1.00 0.00 O ATOM 573 CB TRP A 40 1.792 14.224 -4.038 1.00 0.00 C ATOM 574 CG TRP A 40 2.287 15.629 -3.875 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.732 16.760 -4.402 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.439 16.052 -3.137 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.469 17.860 -4.036 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.521 17.453 -3.259 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.407 15.383 -2.383 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.533 18.194 -2.655 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.412 16.121 -1.785 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.468 17.514 -1.923 1.00 0.00 C ATOM 0 HA TRP A 40 2.010 14.248 -6.177 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.996 14.041 -3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.601 13.532 -3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.844 16.786 -5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.266 18.824 -4.300 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.371 14.310 -2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.579 19.268 -2.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.167 15.615 -1.202 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.265 18.062 -1.442 1.00 0.00 H new ATOM 593 N GLU A 41 2.147 11.668 -5.597 1.00 0.00 N ATOM 594 CA GLU A 41 2.075 10.219 -5.747 1.00 0.00 C ATOM 595 C GLU A 41 3.069 9.526 -4.820 1.00 0.00 C ATOM 596 O GLU A 41 4.183 10.009 -4.615 1.00 0.00 O ATOM 597 CB GLU A 41 2.351 9.821 -7.199 1.00 0.00 C ATOM 598 CG GLU A 41 1.636 8.550 -7.627 1.00 0.00 C ATOM 599 CD GLU A 41 1.353 8.514 -9.117 1.00 0.00 C ATOM 600 OE1 GLU A 41 1.377 9.589 -9.752 1.00 0.00 O ATOM 601 OE2 GLU A 41 1.108 7.410 -9.647 1.00 0.00 O ATOM 0 H GLU A 41 3.092 12.034 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 41 1.069 9.900 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.048 10.637 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.424 9.687 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.243 7.687 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.697 8.464 -7.080 1.00 0.00 H new ATOM 608 N ILE A 42 2.658 8.392 -4.263 1.00 0.00 N ATOM 609 CA ILE A 42 3.511 7.632 -3.359 1.00 0.00 C ATOM 610 C ILE A 42 3.337 6.132 -3.569 1.00 0.00 C ATOM 611 O ILE A 42 2.216 5.639 -3.697 1.00 0.00 O ATOM 612 CB ILE A 42 3.214 7.971 -1.886 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.561 9.433 -1.596 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.989 7.043 -0.962 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.898 9.975 -0.350 1.00 0.00 C ATOM 0 H ILE A 42 1.739 7.979 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 42 4.540 7.911 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 42 2.149 7.827 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.642 9.528 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.267 10.044 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.769 7.295 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.697 6.011 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.058 7.158 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.189 11.016 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.815 9.912 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.211 9.388 0.513 1.00 0.00 H new ATOM 627 N TYR A 43 4.452 5.411 -3.601 1.00 0.00 N ATOM 628 CA TYR A 43 4.423 3.966 -3.796 1.00 0.00 C ATOM 629 C TYR A 43 5.167 3.250 -2.673 1.00 0.00 C ATOM 630 O TYR A 43 6.036 3.829 -2.021 1.00 0.00 O ATOM 631 CB TYR A 43 5.042 3.600 -5.147 1.00 0.00 C ATOM 632 CG TYR A 43 4.641 4.531 -6.268 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.339 4.546 -6.753 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.564 5.395 -6.845 1.00 0.00 C ATOM 635 CE1 TYR A 43 2.968 5.395 -7.778 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.202 6.248 -7.869 1.00 0.00 C ATOM 637 CZ TYR A 43 3.903 6.244 -8.333 1.00 0.00 C ATOM 638 OH TYR A 43 3.538 7.091 -9.354 1.00 0.00 O ATOM 0 H TYR A 43 5.387 5.803 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 43 3.382 3.644 -3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.128 3.605 -5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.749 2.583 -5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.604 3.883 -6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.583 5.399 -6.486 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.951 5.394 -8.143 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.932 6.915 -8.304 1.00 0.00 H new ATOM 0 HH TYR A 43 2.718 6.760 -9.776 1.00 0.00 H new ATOM 648 N ILE A 44 4.818 1.987 -2.453 1.00 0.00 N ATOM 649 CA ILE A 44 5.453 1.190 -1.411 1.00 0.00 C ATOM 650 C ILE A 44 5.201 -0.298 -1.626 1.00 0.00 C ATOM 651 O ILE A 44 4.068 -0.721 -1.858 1.00 0.00 O ATOM 652 CB ILE A 44 4.946 1.587 -0.012 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.635 0.744 1.063 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.435 1.427 0.070 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.431 1.270 2.467 1.00 0.00 C ATOM 0 H ILE A 44 4.099 1.494 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 44 6.523 1.387 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 44 5.191 2.635 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.259 -0.278 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.703 0.702 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.092 1.712 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.960 2.067 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.168 0.388 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.947 0.623 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.833 2.281 2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.366 1.286 2.699 1.00 0.00 H new ATOM 667 N THR A 45 6.266 -1.091 -1.548 1.00 0.00 N ATOM 668 CA THR A 45 6.161 -2.532 -1.734 1.00 0.00 C ATOM 669 C THR A 45 5.790 -3.229 -0.430 1.00 0.00 C ATOM 670 O THR A 45 6.560 -3.222 0.532 1.00 0.00 O ATOM 671 CB THR A 45 7.479 -3.128 -2.264 1.00 0.00 C ATOM 672 OG1 THR A 45 7.910 -2.407 -3.424 1.00 0.00 O ATOM 673 CG2 THR A 45 7.308 -4.599 -2.608 1.00 0.00 C ATOM 0 H THR A 45 7.211 -0.758 -1.357 1.00 0.00 H new ATOM 0 HA THR A 45 5.374 -2.699 -2.469 1.00 0.00 H new ATOM 0 HB THR A 45 8.233 -3.041 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.749 -2.790 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.252 -4.998 -2.980 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.008 -5.149 -1.716 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.541 -4.707 -3.375 1.00 0.00 H new ATOM 681 N LEU A 46 4.606 -3.832 -0.402 1.00 0.00 N ATOM 682 CA LEU A 46 4.133 -4.535 0.785 1.00 0.00 C ATOM 683 C LEU A 46 4.105 -6.042 0.550 1.00 0.00 C ATOM 684 O LEU A 46 3.881 -6.503 -0.570 1.00 0.00 O ATOM 685 CB LEU A 46 2.738 -4.042 1.172 1.00 0.00 C ATOM 686 CG LEU A 46 2.415 -4.046 2.666 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.392 -3.161 3.426 1.00 0.00 C ATOM 688 CD2 LEU A 46 0.983 -3.588 2.904 1.00 0.00 C ATOM 0 H LEU A 46 3.956 -3.848 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 46 4.825 -4.326 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.617 -3.026 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.001 -4.660 0.660 1.00 0.00 H new ATOM 0 HG LEU A 46 2.516 -5.066 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.146 -3.176 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.407 -3.533 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.324 -2.139 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.771 -3.597 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.855 -2.577 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.296 -4.262 2.392 1.00 0.00 H new ATOM 700 N HIS A 47 4.332 -6.806 1.614 1.00 0.00 N ATOM 701 CA HIS A 47 4.330 -8.262 1.524 1.00 0.00 C ATOM 702 C HIS A 47 3.783 -8.884 2.805 1.00 0.00 C ATOM 703 O HIS A 47 4.164 -8.514 3.916 1.00 0.00 O ATOM 704 CB HIS A 47 5.743 -8.780 1.255 1.00 0.00 C ATOM 705 CG HIS A 47 6.776 -8.207 2.176 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.327 -8.917 3.222 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.359 -6.986 2.203 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.204 -8.157 3.853 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.243 -6.980 3.254 1.00 0.00 N ATOM 0 H HIS A 47 4.520 -6.441 2.548 1.00 0.00 H new ATOM 0 HA HIS A 47 3.682 -8.549 0.696 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.747 -9.866 1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.017 -8.548 0.226 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.165 -6.169 1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.790 -8.448 4.712 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.834 -6.195 3.528 1.00 0.00 H new ATOM 871 N VAL A 59 4.274 -13.932 -2.659 1.00 0.00 N ATOM 872 CA VAL A 59 3.117 -13.046 -2.720 1.00 0.00 C ATOM 873 C VAL A 59 3.493 -11.623 -2.325 1.00 0.00 C ATOM 874 O VAL A 59 4.119 -11.401 -1.288 1.00 0.00 O ATOM 875 CB VAL A 59 1.983 -13.540 -1.801 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.547 -14.044 -0.481 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.966 -12.433 -1.569 1.00 0.00 C ATOM 0 HA VAL A 59 2.767 -13.053 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 59 1.476 -14.371 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.732 -14.389 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.234 -14.869 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.080 -13.236 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.172 -12.799 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.457 -11.581 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.539 -12.125 -2.524 1.00 0.00 H new ATOM 887 N CYS A 60 3.107 -10.662 -3.157 1.00 0.00 N ATOM 888 CA CYS A 60 3.404 -9.258 -2.894 1.00 0.00 C ATOM 889 C CYS A 60 2.599 -8.351 -3.819 1.00 0.00 C ATOM 890 O CYS A 60 2.190 -8.759 -4.906 1.00 0.00 O ATOM 891 CB CYS A 60 4.899 -8.990 -3.072 1.00 0.00 C ATOM 892 SG CYS A 60 5.498 -9.235 -4.760 1.00 0.00 S ATOM 0 H CYS A 60 2.588 -10.829 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 60 3.123 -9.039 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.112 -7.965 -2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.457 -9.644 -2.402 1.00 0.00 H new ATOM 0 HG CYS A 60 6.772 -8.982 -4.809 1.00 0.00 H new ATOM 898 N PHE A 61 2.373 -7.117 -3.378 1.00 0.00 N ATOM 899 CA PHE A 61 1.615 -6.152 -4.165 1.00 0.00 C ATOM 900 C PHE A 61 2.134 -4.735 -3.936 1.00 0.00 C ATOM 901 O PHE A 61 2.664 -4.420 -2.870 1.00 0.00 O ATOM 902 CB PHE A 61 0.129 -6.226 -3.807 1.00 0.00 C ATOM 903 CG PHE A 61 -0.234 -5.434 -2.583 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.375 -4.057 -2.649 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.433 -6.067 -1.367 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.707 -3.327 -1.524 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.767 -5.342 -0.239 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.905 -3.970 -0.318 1.00 0.00 C ATOM 0 H PHE A 61 2.704 -6.763 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 61 1.742 -6.401 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.458 -5.864 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.147 -7.269 -3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.224 -3.549 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.326 -7.140 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.812 -2.254 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.920 -5.847 0.703 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.167 -3.401 0.562 1.00 0.00 H new ATOM 918 N THR A 62 1.979 -3.884 -4.945 1.00 0.00 N ATOM 919 CA THR A 62 2.433 -2.502 -4.856 1.00 0.00 C ATOM 920 C THR A 62 1.313 -1.585 -4.378 1.00 0.00 C ATOM 921 O THR A 62 0.321 -1.382 -5.079 1.00 0.00 O ATOM 922 CB THR A 62 2.954 -1.993 -6.213 1.00 0.00 C ATOM 923 OG1 THR A 62 4.039 -2.814 -6.660 1.00 0.00 O ATOM 924 CG2 THR A 62 3.416 -0.547 -6.108 1.00 0.00 C ATOM 0 H THR A 62 1.542 -4.128 -5.834 1.00 0.00 H new ATOM 0 HA THR A 62 3.248 -2.483 -4.132 1.00 0.00 H new ATOM 0 HB THR A 62 2.138 -2.046 -6.933 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.364 -2.485 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.780 -0.210 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.581 0.080 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.219 -0.474 -5.374 1.00 0.00 H new ATOM 932 N LEU A 63 1.477 -1.032 -3.181 1.00 0.00 N ATOM 933 CA LEU A 63 0.480 -0.135 -2.609 1.00 0.00 C ATOM 934 C LEU A 63 0.661 1.286 -3.133 1.00 0.00 C ATOM 935 O LEU A 63 1.697 1.914 -2.910 1.00 0.00 O ATOM 936 CB LEU A 63 0.573 -0.143 -1.082 1.00 0.00 C ATOM 937 CG LEU A 63 -0.670 0.338 -0.332 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.751 -0.315 1.039 1.00 0.00 C ATOM 939 CD2 LEU A 63 -0.661 1.854 -0.202 1.00 0.00 C ATOM 0 H LEU A 63 2.292 -1.190 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.506 -0.490 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.799 -1.159 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.416 0.481 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.551 0.047 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.642 0.039 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.804 -1.398 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.135 -0.055 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.553 2.178 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.227 2.167 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.651 2.304 -1.195 1.00 0.00 H new ATOM 951 N VAL A 64 -0.354 1.789 -3.830 1.00 0.00 N ATOM 952 CA VAL A 64 -0.308 3.137 -4.383 1.00 0.00 C ATOM 953 C VAL A 64 -1.173 4.094 -3.571 1.00 0.00 C ATOM 954 O VAL A 64 -2.342 3.814 -3.301 1.00 0.00 O ATOM 955 CB VAL A 64 -0.776 3.158 -5.850 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.607 4.548 -6.445 1.00 0.00 C ATOM 957 CG2 VAL A 64 -0.015 2.124 -6.666 1.00 0.00 C ATOM 0 H VAL A 64 -1.218 1.283 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 64 0.731 3.463 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.835 2.903 -5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.943 4.543 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.200 5.263 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.444 4.835 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.358 2.152 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.052 2.346 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.192 1.131 -6.252 1.00 0.00 H new ATOM 967 N LEU A 65 -0.593 5.225 -3.184 1.00 0.00 N ATOM 968 CA LEU A 65 -1.312 6.225 -2.403 1.00 0.00 C ATOM 969 C LEU A 65 -1.437 7.534 -3.177 1.00 0.00 C ATOM 970 O LEU A 65 -0.451 8.239 -3.385 1.00 0.00 O ATOM 971 CB LEU A 65 -0.597 6.473 -1.074 1.00 0.00 C ATOM 972 CG LEU A 65 -0.787 5.400 0.000 1.00 0.00 C ATOM 973 CD1 LEU A 65 0.261 5.548 1.093 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.188 5.476 0.588 1.00 0.00 C ATOM 0 H LEU A 65 0.373 5.472 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.314 5.844 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.470 6.576 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.940 7.426 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.663 4.422 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.110 4.777 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.256 5.443 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.169 6.531 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.305 4.706 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.341 6.457 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.923 5.320 -0.202 1.00 0.00 H new ATOM 986 N GLN A 66 -2.657 7.851 -3.598 1.00 0.00 N ATOM 987 CA GLN A 66 -2.911 9.076 -4.348 1.00 0.00 C ATOM 988 C GLN A 66 -3.369 10.197 -3.420 1.00 0.00 C ATOM 989 O GLN A 66 -4.537 10.261 -3.036 1.00 0.00 O ATOM 990 CB GLN A 66 -3.966 8.829 -5.427 1.00 0.00 C ATOM 991 CG GLN A 66 -3.826 9.742 -6.635 1.00 0.00 C ATOM 992 CD GLN A 66 -5.078 9.776 -7.489 1.00 0.00 C ATOM 993 OE1 GLN A 66 -5.640 10.841 -7.745 1.00 0.00 O ATOM 994 NE2 GLN A 66 -5.523 8.607 -7.935 1.00 0.00 N ATOM 0 H GLN A 66 -3.484 7.278 -3.433 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.979 9.380 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.901 7.792 -5.756 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.957 8.964 -4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.594 10.752 -6.297 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.985 9.408 -7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.026 7.748 -7.699 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.362 8.568 -8.514 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.441 11.079 -3.063 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.749 12.199 -2.181 1.00 0.00 C ATOM 1005 C VAL A 67 -3.234 13.407 -2.975 1.00 0.00 C ATOM 1006 O VAL A 67 -2.469 14.064 -3.681 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.523 12.607 -1.343 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -1.892 13.704 -0.357 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -0.947 11.400 -0.619 1.00 0.00 C ATOM 0 H VAL A 67 -1.469 11.040 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.542 11.866 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.759 12.997 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.013 13.979 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.254 14.576 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.674 13.344 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.081 11.707 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.703 10.978 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.643 10.649 -1.348 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.535 13.708 -2.858 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.152 14.840 -3.556 1.00 0.00 C ATOM 1021 C PRO A 68 -4.690 16.184 -3.003 1.00 0.00 C ATOM 1022 O PRO A 68 -3.949 16.241 -2.023 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.648 14.642 -3.301 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.716 13.861 -2.034 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.505 12.968 -2.033 1.00 0.00 C ATOM 0 HA PRO A 68 -4.885 14.861 -4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.163 15.598 -3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.122 14.105 -4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.714 14.522 -1.167 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.634 13.275 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.129 12.801 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.728 11.988 -2.456 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.133 17.264 -3.639 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.767 18.608 -3.208 1.00 0.00 C ATOM 1035 C ALA A 69 -5.401 18.945 -1.863 1.00 0.00 C ATOM 1036 O ALA A 69 -4.738 19.470 -0.969 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.178 19.629 -4.259 1.00 0.00 C ATOM 0 H ALA A 69 -5.746 17.234 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.684 18.642 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.899 20.628 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.673 19.407 -5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.257 19.584 -4.407 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.688 18.641 -1.727 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.410 18.914 -0.491 1.00 0.00 C ATOM 1045 C GLU A 70 -6.637 18.393 0.718 1.00 0.00 C ATOM 1046 O GLU A 70 -6.484 19.093 1.719 1.00 0.00 O ATOM 1047 CB GLU A 70 -8.800 18.276 -0.534 1.00 0.00 C ATOM 1048 CG GLU A 70 -9.673 18.795 -1.664 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.251 20.166 -1.372 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -9.485 21.151 -1.405 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.469 20.253 -1.111 1.00 0.00 O ATOM 0 H GLU A 70 -7.251 18.206 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.517 19.994 -0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.692 17.196 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.303 18.458 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.085 18.840 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.487 18.092 -1.842 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.153 17.160 0.616 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.399 16.544 1.701 1.00 0.00 C ATOM 1060 C TYR A 71 -4.654 17.598 2.515 1.00 0.00 C ATOM 1061 O TYR A 71 -4.112 18.564 1.978 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.408 15.520 1.144 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.533 14.887 2.201 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.594 15.639 2.896 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.646 13.536 2.507 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -1.792 15.064 3.863 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -2.849 12.953 3.473 1.00 0.00 C ATOM 1068 CZ TYR A 71 -1.923 13.721 4.148 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.127 13.144 5.111 1.00 0.00 O ATOM 0 H TYR A 71 -6.269 16.568 -0.206 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.106 16.037 2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.961 14.737 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.774 16.007 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.489 16.691 2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.370 12.931 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.066 15.663 4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.950 11.902 3.699 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.632 13.061 5.947 1.00 0.00 H new ATOM 1079 N PRO A 72 -4.627 17.408 3.842 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.270 16.262 4.492 1.00 0.00 C ATOM 1081 C PRO A 72 -6.792 16.343 4.436 1.00 0.00 C ATOM 1082 O PRO A 72 -7.482 15.332 4.565 1.00 0.00 O ATOM 1083 CB PRO A 72 -4.782 16.355 5.940 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.462 17.797 6.140 1.00 0.00 C ATOM 1085 CD PRO A 72 -3.967 18.299 4.811 1.00 0.00 C ATOM 0 HA PRO A 72 -5.017 15.321 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.548 16.019 6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.905 15.728 6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.343 18.351 6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.704 17.925 6.913 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.240 19.342 4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.881 18.238 4.738 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.309 17.552 4.243 1.00 0.00 N ATOM 1094 CA HIS A 73 -8.750 17.764 4.169 1.00 0.00 C ATOM 1095 C HIS A 73 -9.446 16.557 3.547 1.00 0.00 C ATOM 1096 O HIS A 73 -10.510 16.140 4.003 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.061 19.022 3.357 1.00 0.00 C ATOM 1098 CG HIS A 73 -8.631 20.290 4.028 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -9.513 21.149 4.648 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -7.404 20.842 4.175 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -8.847 22.176 5.146 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -7.565 22.013 4.873 1.00 0.00 N ATOM 0 H HIS A 73 -6.752 18.400 4.135 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.126 17.894 5.184 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.569 18.949 2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.134 19.066 3.168 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.472 20.437 3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.278 23.007 5.685 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.816 22.653 5.138 1.00 0.00 H new ATOM 1111 N GLU A 74 -8.837 16.002 2.504 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.400 14.844 1.819 1.00 0.00 C ATOM 1113 C GLU A 74 -8.502 13.622 1.989 1.00 0.00 C ATOM 1114 O GLU A 74 -7.283 13.745 2.107 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.591 15.147 0.331 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.407 14.097 -0.403 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.901 14.285 -0.219 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.363 14.256 0.941 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.607 14.460 -1.234 1.00 0.00 O ATOM 0 H GLU A 74 -7.955 16.335 2.115 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.370 14.626 2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.081 16.115 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.613 15.232 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.168 14.134 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.123 13.107 -0.047 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.115 12.442 2.002 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.373 11.197 2.158 1.00 0.00 C ATOM 1128 C VAL A 75 -7.767 10.750 0.832 1.00 0.00 C ATOM 1129 O VAL A 75 -8.374 10.877 -0.231 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.272 10.072 2.704 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -9.749 10.406 4.110 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.452 9.834 1.774 1.00 0.00 C ATOM 0 H VAL A 75 -10.123 12.323 1.906 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.574 11.392 2.873 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.687 9.154 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.383 9.600 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.888 10.522 4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.318 11.335 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.076 9.036 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.040 10.748 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.086 9.547 0.788 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.540 10.212 0.894 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.824 9.733 -0.292 1.00 0.00 C ATOM 1144 C PRO A 76 -6.453 8.474 -0.879 1.00 0.00 C ATOM 1145 O PRO A 76 -6.727 7.513 -0.160 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.420 9.432 0.238 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.614 9.156 1.689 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.756 10.029 2.128 1.00 0.00 C ATOM 0 HA PRO A 76 -5.841 10.463 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.979 8.576 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.748 10.276 0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.840 8.103 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.710 9.383 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.346 9.555 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.404 10.981 2.525 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.678 8.486 -2.189 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.275 7.344 -2.872 1.00 0.00 C ATOM 1158 C GLN A 77 -6.350 6.133 -2.817 1.00 0.00 C ATOM 1159 O GLN A 77 -5.264 6.143 -3.398 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.586 7.698 -4.327 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.656 6.818 -4.952 1.00 0.00 C ATOM 1162 CD GLN A 77 -8.103 5.505 -5.470 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -6.900 5.251 -5.392 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -8.979 4.662 -6.003 1.00 0.00 N ATOM 0 H GLN A 77 -6.456 9.273 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.204 7.092 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.907 8.738 -4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.672 7.617 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.431 6.615 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.131 7.357 -5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.967 4.913 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.665 3.763 -6.368 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.787 5.092 -2.117 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.997 3.873 -1.988 1.00 0.00 C ATOM 1175 C ILE A 78 -6.162 2.979 -3.212 1.00 0.00 C ATOM 1176 O ILE A 78 -7.264 2.830 -3.741 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.391 3.078 -0.729 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.130 3.910 0.529 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.625 1.765 -0.671 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.314 4.751 0.953 1.00 0.00 C ATOM 0 H ILE A 78 -7.683 5.068 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.955 4.180 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.456 2.853 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.857 3.242 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.275 4.563 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.914 1.214 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.857 1.169 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.555 1.969 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.058 5.314 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.574 5.444 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.165 4.102 1.162 1.00 0.00 H new ATOM 1192 N SER A 79 -5.059 2.385 -3.657 1.00 0.00 N ATOM 1193 CA SER A 79 -5.081 1.507 -4.821 1.00 0.00 C ATOM 1194 C SER A 79 -4.003 0.433 -4.711 1.00 0.00 C ATOM 1195 O SER A 79 -3.048 0.573 -3.946 1.00 0.00 O ATOM 1196 CB SER A 79 -4.879 2.318 -6.102 1.00 0.00 C ATOM 1197 OG SER A 79 -6.080 2.960 -6.495 1.00 0.00 O ATOM 0 H SER A 79 -4.140 2.496 -3.229 1.00 0.00 H new ATOM 0 HA SER A 79 -6.055 1.018 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.099 3.063 -5.945 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.536 1.661 -6.901 1.00 0.00 H new ATOM 0 HG SER A 79 -6.240 3.736 -5.918 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.165 -0.639 -5.479 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.206 -1.737 -5.469 1.00 0.00 C ATOM 1205 C ILE A 80 -2.750 -2.081 -6.883 1.00 0.00 C ATOM 1206 O ILE A 80 -3.569 -2.267 -7.782 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.800 -2.997 -4.812 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.026 -2.762 -3.317 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.884 -4.192 -5.033 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.848 -3.843 -2.652 1.00 0.00 C ATOM 0 H ILE A 80 -4.951 -0.771 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.349 -1.402 -4.885 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.763 -3.211 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.059 -2.694 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.524 -1.802 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.318 -5.075 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.769 -4.370 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.908 -3.989 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.967 -3.610 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.829 -3.897 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.341 -4.802 -2.757 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.437 -2.167 -7.070 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.871 -2.490 -8.374 1.00 0.00 C ATOM 1224 C ARG A 81 -0.090 -3.800 -8.319 1.00 0.00 C ATOM 1225 O ARG A 81 0.396 -4.200 -7.262 1.00 0.00 O ATOM 1226 CB ARG A 81 0.042 -1.359 -8.852 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.694 -0.252 -9.587 1.00 0.00 C ATOM 1228 CD ARG A 81 0.233 0.906 -9.925 1.00 0.00 C ATOM 1229 NE ARG A 81 -0.494 2.050 -10.468 1.00 0.00 N ATOM 1230 CZ ARG A 81 -0.937 2.112 -11.718 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -0.729 1.101 -12.551 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -1.591 3.187 -12.139 1.00 0.00 N ATOM 0 H ARG A 81 -0.746 -2.018 -6.335 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.693 -2.607 -9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.558 -0.932 -7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.807 -1.774 -9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.130 -0.650 -10.503 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.519 0.108 -8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.772 1.212 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.978 0.574 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.671 2.845 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.227 0.272 -12.232 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.071 1.152 -13.511 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.754 3.967 -11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.931 3.234 -13.100 1.00 0.00 H new ATOM 1246 N ASN A 82 0.027 -4.462 -9.465 1.00 0.00 N ATOM 1247 CA ASN A 82 0.748 -5.727 -9.547 1.00 0.00 C ATOM 1248 C ASN A 82 0.401 -6.629 -8.365 1.00 0.00 C ATOM 1249 O ASN A 82 1.275 -7.146 -7.670 1.00 0.00 O ATOM 1250 CB ASN A 82 2.256 -5.477 -9.585 1.00 0.00 C ATOM 1251 CG ASN A 82 2.738 -5.063 -10.963 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.597 -3.907 -11.360 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.312 -6.009 -11.697 1.00 0.00 N ATOM 0 H ASN A 82 -0.368 -4.144 -10.350 1.00 0.00 H new ATOM 0 HA ASN A 82 0.446 -6.229 -10.466 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.511 -4.700 -8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.780 -6.382 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.658 -5.790 -12.631 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.407 -6.954 -11.326 1.00 0.00 H new ATOM 1260 N PRO A 83 -0.906 -6.822 -8.132 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.399 -7.661 -7.036 1.00 0.00 C ATOM 1262 C PRO A 83 -1.122 -9.142 -7.271 1.00 0.00 C ATOM 1263 O PRO A 83 -1.972 -9.869 -7.784 1.00 0.00 O ATOM 1264 CB PRO A 83 -2.906 -7.393 -7.034 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.218 -6.973 -8.429 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.003 -6.236 -8.921 1.00 0.00 C ATOM 0 HA PRO A 83 -0.909 -7.426 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.466 -8.285 -6.754 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.169 -6.614 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.432 -7.837 -9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.100 -6.333 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.851 -6.381 -9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.089 -5.162 -8.754 1.00 0.00 H new ATOM 1274 N ARG A 84 0.073 -9.583 -6.891 1.00 0.00 N ATOM 1275 CA ARG A 84 0.462 -10.978 -7.061 1.00 0.00 C ATOM 1276 C ARG A 84 0.305 -11.749 -5.753 1.00 0.00 C ATOM 1277 O ARG A 84 0.468 -11.193 -4.669 1.00 0.00 O ATOM 1278 CB ARG A 84 1.909 -11.070 -7.549 1.00 0.00 C ATOM 1279 CG ARG A 84 2.183 -12.290 -8.414 1.00 0.00 C ATOM 1280 CD ARG A 84 1.679 -12.090 -9.834 1.00 0.00 C ATOM 1281 NE ARG A 84 2.689 -11.480 -10.693 1.00 0.00 N ATOM 1282 CZ ARG A 84 3.702 -12.152 -11.229 1.00 0.00 C ATOM 1283 NH1 ARG A 84 3.837 -13.450 -10.996 1.00 0.00 N ATOM 1284 NH2 ARG A 84 4.581 -11.526 -12.001 1.00 0.00 N ATOM 0 H ARG A 84 0.788 -8.995 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.195 -11.424 -7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.150 -10.171 -8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.574 -11.090 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.254 -12.492 -8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.701 -13.164 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.381 -13.052 -10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.789 -11.460 -9.817 1.00 0.00 H new ATOM 0 HE ARG A 84 2.613 -10.483 -10.893 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.162 -13.935 -10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.615 -13.964 -11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.479 -10.528 -12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.358 -12.043 -12.412 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.014 -13.035 -5.865 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.189 -13.862 -4.685 1.00 0.00 C ATOM 1300 C GLY A 85 -1.587 -13.761 -4.109 1.00 0.00 C ATOM 1301 O GLY A 85 -2.219 -14.776 -3.811 1.00 0.00 O ATOM 0 H GLY A 85 -0.154 -13.519 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.022 -14.901 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.536 -13.566 -3.927 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.072 -12.535 -3.949 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.405 -12.304 -3.402 1.00 0.00 C ATOM 1307 C LEU A 86 -4.473 -12.481 -4.476 1.00 0.00 C ATOM 1308 O LEU A 86 -4.171 -12.489 -5.670 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.496 -10.900 -2.802 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.450 -10.554 -1.742 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.283 -9.046 -1.629 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.837 -11.152 -0.397 1.00 0.00 C ATOM 0 H LEU A 86 -1.562 -11.685 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.581 -13.040 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.417 -10.175 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.485 -10.779 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.495 -10.983 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.535 -8.819 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.960 -8.643 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.234 -8.595 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.082 -10.896 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.802 -10.753 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.905 -12.236 -0.487 1.00 0.00 H new ATOM 1324 N SER A 87 -5.722 -12.621 -4.045 1.00 0.00 N ATOM 1325 CA SER A 87 -6.835 -12.799 -4.970 1.00 0.00 C ATOM 1326 C SER A 87 -7.721 -11.557 -5.000 1.00 0.00 C ATOM 1327 O SER A 87 -7.613 -10.683 -4.139 1.00 0.00 O ATOM 1328 CB SER A 87 -7.665 -14.022 -4.573 1.00 0.00 C ATOM 1329 OG SER A 87 -8.498 -14.440 -5.640 1.00 0.00 O ATOM 0 H SER A 87 -5.989 -12.615 -3.061 1.00 0.00 H new ATOM 0 HA SER A 87 -6.425 -12.955 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.002 -14.837 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.276 -13.784 -3.702 1.00 0.00 H new ATOM 0 HG SER A 87 -9.017 -15.224 -5.362 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.596 -11.486 -5.997 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.502 -10.352 -6.140 1.00 0.00 C ATOM 1337 C ASP A 88 -10.187 -10.034 -4.815 1.00 0.00 C ATOM 1338 O ASP A 88 -10.221 -8.882 -4.384 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.551 -10.643 -7.214 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.092 -12.057 -7.127 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -10.454 -12.972 -7.688 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -12.154 -12.247 -6.497 1.00 0.00 O ATOM 0 H ASP A 88 -8.697 -12.200 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.915 -9.485 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.374 -9.935 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.112 -10.485 -8.199 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.733 -11.063 -4.174 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.419 -10.892 -2.899 1.00 0.00 C ATOM 1349 C GLU A 89 -10.537 -10.144 -1.903 1.00 0.00 C ATOM 1350 O GLU A 89 -10.878 -9.049 -1.457 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.819 -12.251 -2.323 1.00 0.00 C ATOM 1352 CG GLU A 89 -12.810 -12.158 -1.175 1.00 0.00 C ATOM 1353 CD GLU A 89 -14.193 -11.733 -1.631 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -14.318 -10.621 -2.184 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -15.148 -12.512 -1.434 1.00 0.00 O ATOM 0 H GLU A 89 -10.713 -12.023 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.318 -10.302 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.252 -12.859 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.923 -12.768 -1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.877 -13.126 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.440 -11.446 -0.437 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.403 -10.746 -1.558 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.473 -10.138 -0.614 1.00 0.00 C ATOM 1364 C GLN A 90 -8.118 -8.716 -1.038 1.00 0.00 C ATOM 1365 O GLN A 90 -8.331 -7.764 -0.287 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.202 -10.982 -0.503 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.291 -12.082 0.542 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.307 -13.207 0.291 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -6.510 -14.039 -0.593 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.232 -13.238 1.070 1.00 0.00 N ATOM 0 H GLN A 90 -9.107 -11.653 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.959 -10.096 0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.988 -11.431 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.363 -10.330 -0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.106 -11.656 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.303 -12.486 0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.104 -12.528 1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.534 -13.972 0.948 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.576 -8.582 -2.243 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.193 -7.276 -2.766 1.00 0.00 C ATOM 1381 C ILE A 91 -8.219 -6.212 -2.393 1.00 0.00 C ATOM 1382 O ILE A 91 -7.900 -5.238 -1.710 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.036 -7.307 -4.298 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -5.882 -8.231 -4.695 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.806 -5.903 -4.836 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -5.974 -8.735 -6.119 1.00 0.00 C ATOM 0 H ILE A 91 -7.392 -9.361 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.233 -7.025 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.956 -7.696 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.940 -7.698 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.860 -9.084 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.697 -5.942 -5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.656 -5.271 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.900 -5.488 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.124 -9.384 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.900 -9.296 -6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.965 -7.889 -6.806 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.454 -6.404 -2.846 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.529 -5.461 -2.558 1.00 0.00 C ATOM 1400 C HIS A 92 -10.701 -5.276 -1.053 1.00 0.00 C ATOM 1401 O HIS A 92 -10.671 -4.154 -0.547 1.00 0.00 O ATOM 1402 CB HIS A 92 -11.841 -5.946 -3.177 1.00 0.00 C ATOM 1403 CG HIS A 92 -12.823 -4.846 -3.437 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -13.776 -4.907 -4.431 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -12.998 -3.652 -2.823 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.494 -3.798 -4.420 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.042 -3.020 -3.453 1.00 0.00 N ATOM 0 H HIS A 92 -9.735 -7.204 -3.414 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.262 -4.499 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.624 -6.457 -4.115 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.297 -6.680 -2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.424 -3.268 -1.993 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.311 -3.567 -5.088 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.409 -2.099 -3.213 1.00 0.00 H new ATOM 1416 N THR A 93 -10.882 -6.385 -0.342 1.00 0.00 N ATOM 1417 CA THR A 93 -11.061 -6.345 1.104 1.00 0.00 C ATOM 1418 C THR A 93 -10.059 -5.399 1.755 1.00 0.00 C ATOM 1419 O THR A 93 -10.435 -4.528 2.541 1.00 0.00 O ATOM 1420 CB THR A 93 -10.908 -7.745 1.727 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.943 -8.611 1.248 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.964 -7.670 3.246 1.00 0.00 C ATOM 0 H THR A 93 -10.908 -7.322 -0.744 1.00 0.00 H new ATOM 0 HA THR A 93 -12.072 -5.982 1.288 1.00 0.00 H new ATOM 0 HB THR A 93 -9.937 -8.145 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.751 -8.870 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.854 -8.671 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.156 -7.034 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.922 -7.251 3.555 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.784 -5.574 1.424 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.729 -4.734 1.977 1.00 0.00 C ATOM 1432 C ILE A 94 -8.085 -3.256 1.857 1.00 0.00 C ATOM 1433 O ILE A 94 -8.022 -2.509 2.835 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.383 -4.985 1.273 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.965 -6.449 1.432 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.312 -4.059 1.831 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.751 -6.823 0.611 1.00 0.00 C ATOM 0 H ILE A 94 -8.457 -6.290 0.776 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.634 -4.998 3.030 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.500 -4.773 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.758 -6.647 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.799 -7.090 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.366 -4.249 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.608 -3.022 1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.193 -4.242 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.512 -7.874 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.961 -6.657 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.904 -6.208 0.913 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.459 -2.839 0.652 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.826 -1.449 0.403 1.00 0.00 C ATOM 1451 C LEU A 95 -9.943 -1.005 1.343 1.00 0.00 C ATOM 1452 O LEU A 95 -9.844 0.038 1.990 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.267 -1.270 -1.051 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.250 -1.682 -2.115 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -8.938 -1.906 -3.453 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.157 -0.631 -2.245 1.00 0.00 C ATOM 0 H LEU A 95 -8.516 -3.443 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.950 -0.828 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.179 -1.846 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.521 -0.222 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.789 -2.620 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.198 -2.199 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.683 -2.695 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.427 -0.985 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.442 -0.942 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.601 0.322 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.644 -0.520 -1.290 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.003 -1.804 1.414 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.137 -1.493 2.276 1.00 0.00 C ATOM 1470 C GLN A 96 -11.671 -0.847 3.577 1.00 0.00 C ATOM 1471 O GLN A 96 -11.976 0.313 3.851 1.00 0.00 O ATOM 1472 CB GLN A 96 -12.936 -2.761 2.580 1.00 0.00 C ATOM 1473 CG GLN A 96 -13.483 -3.447 1.338 1.00 0.00 C ATOM 1474 CD GLN A 96 -14.762 -4.214 1.611 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -14.838 -5.420 1.377 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -15.776 -3.516 2.108 1.00 0.00 N ATOM 0 H GLN A 96 -11.100 -2.671 0.885 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.778 -0.786 1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -12.299 -3.461 3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.765 -2.508 3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -13.670 -2.699 0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.731 -4.131 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -15.669 -2.518 2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -16.662 -3.978 2.311 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.929 -1.608 4.377 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.420 -1.110 5.649 1.00 0.00 C ATOM 1487 C VAL A 97 -9.681 0.211 5.466 1.00 0.00 C ATOM 1488 O VAL A 97 -10.073 1.237 6.024 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.473 -2.128 6.311 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.889 -1.558 7.595 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -10.202 -3.435 6.583 1.00 0.00 C ATOM 0 H VAL A 97 -10.668 -2.571 4.166 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.283 -0.953 6.296 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.651 -2.332 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.222 -2.292 8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.330 -0.650 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.696 -1.323 8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.518 -4.143 7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.044 -3.250 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.567 -3.850 5.644 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.610 0.180 4.681 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.815 1.375 4.423 1.00 0.00 C ATOM 1503 C LEU A 98 -8.713 2.582 4.168 1.00 0.00 C ATOM 1504 O LEU A 98 -8.386 3.704 4.551 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.893 1.150 3.224 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.795 0.102 3.410 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.986 -0.056 2.132 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.890 0.478 4.574 1.00 0.00 C ATOM 0 H LEU A 98 -8.272 -0.660 4.212 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.209 1.575 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.505 0.859 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.422 2.100 2.970 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.267 -0.854 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.209 -0.806 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.643 -0.373 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.525 0.897 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.115 -0.279 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.426 1.445 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.480 0.538 5.489 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.849 2.341 3.520 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.778 3.417 3.227 1.00 0.00 C ATOM 1522 C GLY A 99 -11.233 4.147 4.476 1.00 0.00 C ATOM 1523 O GLY A 99 -11.311 5.376 4.492 1.00 0.00 O ATOM 0 H GLY A 99 -10.142 1.420 3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.305 4.126 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.648 3.011 2.710 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.536 3.389 5.525 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.987 3.971 6.784 1.00 0.00 C ATOM 1529 C HIS A 100 -10.819 4.593 7.544 1.00 0.00 C ATOM 1530 O HIS A 100 -10.930 5.695 8.080 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.664 2.908 7.649 1.00 0.00 C ATOM 1532 CG HIS A 100 -13.877 2.302 7.012 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -15.103 2.933 6.975 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -14.047 1.116 6.383 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -15.975 2.160 6.353 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -15.359 1.051 5.983 1.00 0.00 N ATOM 0 H HIS A 100 -11.477 2.371 5.528 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.708 4.755 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -11.946 2.118 7.868 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.948 3.354 8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -13.291 0.361 6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -17.014 2.394 6.177 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -15.788 0.273 5.482 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.699 3.878 7.587 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.510 4.359 8.281 1.00 0.00 C ATOM 1547 C VAL A 101 -8.140 5.766 7.824 1.00 0.00 C ATOM 1548 O VAL A 101 -7.998 6.677 8.640 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.309 3.424 8.051 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.082 3.939 8.789 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.647 2.006 8.487 1.00 0.00 C ATOM 0 H VAL A 101 -9.590 2.963 7.149 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.749 4.376 9.344 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.082 3.408 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.243 3.265 8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.829 4.935 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.293 3.986 9.857 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.787 1.358 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.901 2.002 9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.496 1.640 7.909 1.00 0.00 H new ATOM 1561 N ALA A 102 -7.984 5.936 6.516 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.633 7.232 5.950 1.00 0.00 C ATOM 1563 C ALA A 102 -8.389 8.359 6.646 1.00 0.00 C ATOM 1564 O ALA A 102 -7.808 9.385 6.999 1.00 0.00 O ATOM 1565 CB ALA A 102 -7.915 7.250 4.455 1.00 0.00 C ATOM 0 H ALA A 102 -8.095 5.192 5.828 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.567 7.392 6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.648 8.224 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.325 6.476 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.975 7.062 4.282 1.00 0.00 H new ATOM 1571 N LYS A 103 -9.688 8.160 6.841 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.525 9.159 7.496 1.00 0.00 C ATOM 1573 C LYS A 103 -10.328 9.126 9.009 1.00 0.00 C ATOM 1574 O LYS A 103 -10.372 10.162 9.672 1.00 0.00 O ATOM 1575 CB LYS A 103 -11.999 8.920 7.158 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.949 9.299 8.280 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.350 9.571 7.756 1.00 0.00 C ATOM 1578 CE LYS A 103 -15.409 9.231 8.794 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.328 10.126 9.982 1.00 0.00 N ATOM 0 H LYS A 103 -10.184 7.316 6.555 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.229 10.142 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.256 9.492 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.141 7.867 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.984 8.495 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.573 10.184 8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.437 10.621 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.522 8.985 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.398 9.313 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.288 8.195 9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.066 9.862 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.393 10.029 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.469 11.112 9.684 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.111 7.931 9.547 1.00 0.00 N ATOM 1594 CA ALA A 104 -9.904 7.765 10.980 1.00 0.00 C ATOM 1595 C ALA A 104 -8.721 8.597 11.464 1.00 0.00 C ATOM 1596 O ALA A 104 -8.513 8.757 12.666 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.691 6.296 11.316 1.00 0.00 C ATOM 0 H ALA A 104 -10.074 7.063 9.012 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.798 8.118 11.494 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.538 6.187 12.390 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.568 5.723 11.015 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.815 5.925 10.785 1.00 0.00 H new ATOM 1603 N GLY A 105 -7.948 9.124 10.519 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.795 9.933 10.870 1.00 0.00 C ATOM 1605 C GLY A 105 -6.731 11.224 10.079 1.00 0.00 C ATOM 1606 O GLY A 105 -5.663 11.821 9.936 1.00 0.00 O ATOM 0 H GLY A 105 -8.100 9.005 9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.828 10.164 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.885 9.358 10.696 1.00 0.00 H new ATOM 1610 N LEU A 106 -7.876 11.657 9.563 1.00 0.00 N ATOM 1611 CA LEU A 106 -7.945 12.886 8.780 1.00 0.00 C ATOM 1612 C LEU A 106 -7.603 14.099 9.639 1.00 0.00 C ATOM 1613 O LEU A 106 -7.698 14.051 10.865 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.341 13.052 8.177 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.519 12.543 6.746 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -10.989 12.292 6.448 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -8.933 13.534 5.751 1.00 0.00 C ATOM 0 H LEU A 106 -8.769 11.176 9.673 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.214 12.816 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.055 12.534 8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.601 14.110 8.200 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.983 11.599 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.096 11.930 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.378 11.545 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.548 13.221 6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.069 13.156 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.441 14.493 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.869 13.664 5.950 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.206 15.188 8.987 1.00 0.00 N ATOM 1630 CA GLY A 107 -6.857 16.398 9.707 1.00 0.00 C ATOM 1631 C GLY A 107 -5.360 16.557 9.886 1.00 0.00 C ATOM 1632 O GLY A 107 -4.835 17.669 9.833 1.00 0.00 O ATOM 0 H GLY A 107 -7.120 15.253 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.249 17.262 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.337 16.386 10.685 1.00 0.00 H new ATOM 1636 N THR A 108 -4.670 15.441 10.099 1.00 0.00 N ATOM 1637 CA THR A 108 -3.225 15.460 10.289 1.00 0.00 C ATOM 1638 C THR A 108 -2.566 14.260 9.619 1.00 0.00 C ATOM 1639 O THR A 108 -3.245 13.404 9.053 1.00 0.00 O ATOM 1640 CB THR A 108 -2.855 15.465 11.785 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.388 14.300 12.425 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.388 16.715 12.470 1.00 0.00 C ATOM 0 H THR A 108 -5.089 14.512 10.144 1.00 0.00 H new ATOM 0 HA THR A 108 -2.858 16.377 9.828 1.00 0.00 H new ATOM 0 HB THR A 108 -1.768 15.460 11.868 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.147 14.310 13.375 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.115 16.696 13.525 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.958 17.599 11.999 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.474 16.746 12.377 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.240 14.205 9.686 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.490 13.108 9.087 1.00 0.00 C ATOM 1652 C ALA A 109 -1.231 11.785 9.246 1.00 0.00 C ATOM 1653 O ALA A 109 -1.688 11.446 10.337 1.00 0.00 O ATOM 1654 CB ALA A 109 0.896 13.016 9.708 1.00 0.00 C ATOM 0 H ALA A 109 -0.663 14.907 10.149 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.387 13.311 8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.445 12.193 9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.433 13.949 9.538 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.804 12.840 10.780 1.00 0.00 H new ATOM 1660 N MET A 110 -1.347 11.042 8.151 1.00 0.00 N ATOM 1661 CA MET A 110 -2.032 9.755 8.169 1.00 0.00 C ATOM 1662 C MET A 110 -1.214 8.692 7.444 1.00 0.00 C ATOM 1663 O MET A 110 -1.170 7.534 7.862 1.00 0.00 O ATOM 1664 CB MET A 110 -3.414 9.880 7.525 1.00 0.00 C ATOM 1665 CG MET A 110 -3.440 10.801 6.316 1.00 0.00 C ATOM 1666 SD MET A 110 -4.979 10.682 5.384 1.00 0.00 S ATOM 1667 CE MET A 110 -5.894 12.062 6.065 1.00 0.00 C ATOM 0 H MET A 110 -0.975 11.309 7.239 1.00 0.00 H new ATOM 0 HA MET A 110 -2.150 9.449 9.209 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.757 8.890 7.225 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.120 10.250 8.268 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.298 11.830 6.645 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.603 10.558 5.661 1.00 0.00 H new ATOM 0 HE1 MET A 110 -6.906 11.741 6.313 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.396 12.420 6.966 1.00 0.00 H new ATOM 0 HE3 MET A 110 -5.938 12.867 5.331 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.567 9.091 6.354 1.00 0.00 N ATOM 1678 CA LEU A 111 0.250 8.172 5.570 1.00 0.00 C ATOM 1679 C LEU A 111 0.928 7.143 6.468 1.00 0.00 C ATOM 1680 O LEU A 111 0.911 5.946 6.180 1.00 0.00 O ATOM 1681 CB LEU A 111 1.305 8.947 4.777 1.00 0.00 C ATOM 1682 CG LEU A 111 0.778 10.049 3.857 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.926 10.883 3.312 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.035 9.449 2.719 1.00 0.00 C ATOM 0 H LEU A 111 -0.593 10.045 5.993 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.405 7.645 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.005 9.394 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.871 8.237 4.173 1.00 0.00 H new ATOM 0 HG LEU A 111 0.126 10.701 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.532 11.662 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.467 11.342 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.603 10.244 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.402 10.247 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.594 8.774 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.880 8.895 3.128 1.00 0.00 H new ATOM 1696 N TYR A 112 1.520 7.616 7.559 1.00 0.00 N ATOM 1697 CA TYR A 112 2.204 6.737 8.500 1.00 0.00 C ATOM 1698 C TYR A 112 1.257 5.663 9.028 1.00 0.00 C ATOM 1699 O TYR A 112 1.549 4.470 8.948 1.00 0.00 O ATOM 1700 CB TYR A 112 2.773 7.547 9.666 1.00 0.00 C ATOM 1701 CG TYR A 112 3.718 6.760 10.546 1.00 0.00 C ATOM 1702 CD1 TYR A 112 3.235 5.868 11.494 1.00 0.00 C ATOM 1703 CD2 TYR A 112 5.095 6.909 10.428 1.00 0.00 C ATOM 1704 CE1 TYR A 112 4.094 5.147 12.300 1.00 0.00 C ATOM 1705 CE2 TYR A 112 5.962 6.192 11.229 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.457 5.312 12.164 1.00 0.00 C ATOM 1707 OH TYR A 112 6.316 4.596 12.965 1.00 0.00 O ATOM 0 H TYR A 112 1.540 8.604 7.814 1.00 0.00 H new ATOM 0 HA TYR A 112 3.023 6.248 7.972 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.297 8.417 9.271 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.949 7.920 10.274 1.00 0.00 H new ATOM 0 HD1 TYR A 112 2.169 5.736 11.603 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.494 7.597 9.697 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.701 4.458 13.033 1.00 0.00 H new ATOM 0 HE2 TYR A 112 7.029 6.319 11.124 1.00 0.00 H new ATOM 0 HH TYR A 112 7.242 4.828 12.741 1.00 0.00 H new ATOM 1717 N GLU A 113 0.121 6.097 9.566 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.868 5.173 10.107 1.00 0.00 C ATOM 1719 C GLU A 113 -1.366 4.215 9.028 1.00 0.00 C ATOM 1720 O GLU A 113 -1.366 2.997 9.214 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.048 5.945 10.702 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.766 5.198 11.813 1.00 0.00 C ATOM 1723 CD GLU A 113 -3.930 5.982 12.387 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -3.696 6.818 13.285 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -5.074 5.761 11.938 1.00 0.00 O ATOM 0 H GLU A 113 -0.136 7.081 9.638 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.390 4.590 10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.689 6.898 11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.760 6.171 9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.129 4.245 11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.058 4.971 12.610 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.789 4.774 7.899 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.290 3.971 6.789 1.00 0.00 C ATOM 1734 C LEU A 114 -1.339 2.820 6.477 1.00 0.00 C ATOM 1735 O LEU A 114 -1.747 1.659 6.434 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.479 4.843 5.547 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.772 5.658 5.489 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.658 6.765 4.453 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.957 4.755 5.179 1.00 0.00 C ATOM 0 H LEU A 114 -1.795 5.780 7.728 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.253 3.553 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.636 5.531 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.438 4.201 4.667 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.935 6.116 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.587 7.335 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.834 7.427 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.471 6.328 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.869 5.351 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.802 4.269 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.051 3.998 5.957 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.070 3.150 6.262 1.00 0.00 N ATOM 1752 CA ILE A 115 0.939 2.143 5.957 1.00 0.00 C ATOM 1753 C ILE A 115 0.898 1.001 6.966 1.00 0.00 C ATOM 1754 O ILE A 115 0.800 -0.167 6.591 1.00 0.00 O ATOM 1755 CB ILE A 115 2.354 2.751 5.944 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.452 3.848 4.883 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.393 1.669 5.693 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.492 4.901 5.196 1.00 0.00 C ATOM 0 H ILE A 115 0.284 4.106 6.293 1.00 0.00 H new ATOM 0 HA ILE A 115 0.709 1.756 4.964 1.00 0.00 H new ATOM 0 HB ILE A 115 2.551 3.197 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.687 3.392 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.480 4.329 4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.388 2.114 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.336 0.920 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.201 1.197 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.506 5.646 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.247 5.384 6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.473 4.432 5.271 1.00 0.00 H new ATOM 1770 N GLU A 116 0.973 1.346 8.248 1.00 0.00 N ATOM 1771 CA GLU A 116 0.943 0.349 9.310 1.00 0.00 C ATOM 1772 C GLU A 116 -0.140 -0.695 9.047 1.00 0.00 C ATOM 1773 O GLU A 116 0.117 -1.898 9.092 1.00 0.00 O ATOM 1774 CB GLU A 116 0.701 1.020 10.664 1.00 0.00 C ATOM 1775 CG GLU A 116 1.826 1.947 11.093 1.00 0.00 C ATOM 1776 CD GLU A 116 1.926 2.084 12.600 1.00 0.00 C ATOM 1777 OE1 GLU A 116 0.876 2.021 13.273 1.00 0.00 O ATOM 1778 OE2 GLU A 116 3.055 2.254 13.106 1.00 0.00 O ATOM 0 H GLU A 116 1.055 2.309 8.575 1.00 0.00 H new ATOM 0 HA GLU A 116 1.910 -0.153 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.229 1.587 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.567 0.249 11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.771 1.570 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.669 2.931 10.652 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.352 -0.224 8.773 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.474 -1.114 8.502 1.00 0.00 C ATOM 1787 C LYS A 117 -2.134 -2.095 7.384 1.00 0.00 C ATOM 1788 O LYS A 117 -2.227 -3.309 7.561 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.715 -0.302 8.122 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.584 0.072 9.310 1.00 0.00 C ATOM 1791 CD LYS A 117 -5.246 -1.151 9.923 1.00 0.00 C ATOM 1792 CE LYS A 117 -6.156 -0.770 11.081 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.351 -1.902 12.028 1.00 0.00 N ATOM 0 H LYS A 117 -1.582 0.769 8.733 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.682 -1.682 9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.401 0.608 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.311 -0.876 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.976 0.574 10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.349 0.781 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.824 -1.673 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.480 -1.844 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.729 0.080 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.123 -0.450 10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.977 -1.603 12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.781 -2.705 11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.431 -2.191 12.418 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.737 -1.560 6.233 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.387 -2.402 5.105 1.00 0.00 C ATOM 1809 C GLY A 118 -0.740 -3.705 5.533 1.00 0.00 C ATOM 1810 O GLY A 118 -1.269 -4.785 5.270 1.00 0.00 O ATOM 0 H GLY A 118 -1.652 -0.558 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.284 -2.619 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.706 -1.860 4.449 1.00 0.00 H new ATOM 1814 N LYS A 119 0.409 -3.604 6.192 1.00 0.00 N ATOM 1815 CA LYS A 119 1.131 -4.782 6.657 1.00 0.00 C ATOM 1816 C LYS A 119 0.228 -5.676 7.500 1.00 0.00 C ATOM 1817 O LYS A 119 0.125 -6.878 7.254 1.00 0.00 O ATOM 1818 CB LYS A 119 2.358 -4.365 7.471 1.00 0.00 C ATOM 1819 CG LYS A 119 3.583 -4.077 6.621 1.00 0.00 C ATOM 1820 CD LYS A 119 4.682 -3.413 7.434 1.00 0.00 C ATOM 1821 CE LYS A 119 4.399 -1.934 7.648 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.519 -1.251 8.353 1.00 0.00 N ATOM 0 H LYS A 119 0.861 -2.717 6.416 1.00 0.00 H new ATOM 0 HA LYS A 119 1.457 -5.346 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.113 -3.476 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.597 -5.155 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.957 -5.007 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.305 -3.432 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.773 -3.911 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.637 -3.532 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.230 -1.454 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.482 -1.820 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.287 -0.245 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.664 -1.693 9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.388 -1.338 7.789 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.426 -5.081 8.493 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.321 -5.825 9.371 1.00 0.00 C ATOM 1838 C GLU A 120 -2.382 -6.568 8.564 1.00 0.00 C ATOM 1839 O GLU A 120 -2.444 -7.798 8.583 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.994 -4.880 10.369 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.201 -4.685 11.651 1.00 0.00 C ATOM 1842 CD GLU A 120 -0.735 -5.996 12.255 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -1.540 -6.950 12.291 1.00 0.00 O ATOM 1844 OE2 GLU A 120 0.432 -6.067 12.691 1.00 0.00 O ATOM 0 H GLU A 120 -0.353 -4.087 8.709 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.726 -6.557 9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.145 -3.911 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.981 -5.270 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.335 -4.056 11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.816 -4.153 12.377 1.00 0.00 H new ATOM 1851 N ILE A 121 -3.215 -5.813 7.855 1.00 0.00 N ATOM 1852 CA ILE A 121 -4.272 -6.399 7.041 1.00 0.00 C ATOM 1853 C ILE A 121 -3.779 -7.646 6.315 1.00 0.00 C ATOM 1854 O ILE A 121 -4.399 -8.707 6.390 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.808 -5.393 6.006 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -5.427 -4.184 6.710 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.828 -6.062 5.096 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.438 -2.931 5.862 1.00 0.00 C ATOM 0 H ILE A 121 -3.178 -4.794 7.828 1.00 0.00 H new ATOM 0 HA ILE A 121 -5.079 -6.673 7.720 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.976 -5.046 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -6.450 -4.426 6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.874 -3.986 7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -6.198 -5.338 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.358 -6.894 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.660 -6.434 5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.891 -2.115 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.416 -2.664 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -6.015 -3.111 4.955 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.660 -7.510 5.612 1.00 0.00 N ATOM 1871 CA LEU A 122 -2.081 -8.627 4.873 1.00 0.00 C ATOM 1872 C LEU A 122 -1.956 -9.861 5.760 1.00 0.00 C ATOM 1873 O LEU A 122 -2.296 -10.971 5.348 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.708 -8.241 4.320 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.700 -7.597 2.933 1.00 0.00 C ATOM 1876 CD1 LEU A 122 0.695 -7.103 2.582 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.198 -8.582 1.885 1.00 0.00 C ATOM 0 H LEU A 122 -2.136 -6.638 5.538 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.746 -8.865 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.237 -7.552 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.087 -9.136 4.287 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.374 -6.740 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.681 -6.648 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.015 -6.364 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.390 -7.943 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.186 -8.107 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.550 -9.458 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.216 -8.887 2.127 1.00 0.00 H new