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 83 THR OG1 : rot -127:sc= 0.768 USER MOD Set 1.2: A 86 GLN : amide:sc= -0.141 K(o=0.63,f=-2.6!) USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0.0615 USER MOD Set 2.2: A 78 ASN : amide:sc= -2.6! C(o=-2.5!,f=-3.4!) USER MOD Set 3.1: A 46 THR OG1 : rot 164:sc= 0.18 USER MOD Set 3.2: A 115 GLN : amide:sc= -1.79! C(o=-1.6!,f=-4.5!) USER MOD Single : A 13 GLN : amide:sc= -0.544 K(o=-0.54,f=-4.9!) USER MOD Single : A 17 SER OG : rot -22:sc= -0.196 USER MOD Single : A 33 SER OG : rot 22:sc= 0.973 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.0043) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0528) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.016) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -124:sc= -0.932 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.0559 USER MOD Single : A 79 SER OG : rot 86:sc= 1.21 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 87 CYS SG : rot -20:sc= -2.87 USER MOD Single : A 89 THR OG1 : rot 72:sc= 0.551 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.6) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -51:sc= 0.405 USER MOD Single : A 106 MET CE :methyl 172:sc= -0.0994 (180deg=-0.242) USER MOD Single : A 108 HIS : no HE2:sc= -7.35! C(o=-7.4!,f=-9.4!) USER MOD Single : A 116 GLN : amide:sc= -0.572 K(o=-0.57,f=-1.7) USER MOD Single : A 117 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.011) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -2.878 15.948 -2.104 1.00 0.00 N ATOM 123 CA VAL A 12 -3.529 15.119 -1.097 1.00 0.00 C ATOM 124 C VAL A 12 -4.982 14.845 -1.466 1.00 0.00 C ATOM 125 O VAL A 12 -5.401 13.692 -1.564 1.00 0.00 O ATOM 126 CB VAL A 12 -3.480 15.783 0.292 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.181 14.912 1.325 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.041 16.056 0.702 1.00 0.00 C ATOM 0 HA VAL A 12 -2.983 14.176 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.005 16.737 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.136 15.397 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.223 14.772 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.686 13.942 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.026 16.525 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.489 15.117 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.576 16.722 -0.025 1.00 0.00 H new ATOM 138 N GLN A 13 -5.746 15.913 -1.671 1.00 0.00 N ATOM 139 CA GLN A 13 -7.154 15.787 -2.030 1.00 0.00 C ATOM 140 C GLN A 13 -7.319 14.979 -3.313 1.00 0.00 C ATOM 141 O GLN A 13 -7.985 13.944 -3.324 1.00 0.00 O ATOM 142 CB GLN A 13 -7.784 17.171 -2.202 1.00 0.00 C ATOM 143 CG GLN A 13 -9.195 17.131 -2.767 1.00 0.00 C ATOM 144 CD GLN A 13 -10.212 16.626 -1.763 1.00 0.00 C ATOM 145 OE1 GLN A 13 -9.940 15.700 -0.999 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.393 17.234 -1.759 1.00 0.00 N ATOM 0 H GLN A 13 -5.414 16.875 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.663 15.261 -1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.803 17.675 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.154 17.768 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.479 18.131 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.211 16.490 -3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.576 17.998 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.117 16.937 -1.105 1.00 0.00 H new ATOM 155 N GLU A 14 -6.707 15.458 -4.392 1.00 0.00 N ATOM 156 CA GLU A 14 -6.787 14.778 -5.679 1.00 0.00 C ATOM 157 C GLU A 14 -6.515 13.285 -5.525 1.00 0.00 C ATOM 158 O GLU A 14 -7.174 12.456 -6.151 1.00 0.00 O ATOM 159 CB GLU A 14 -5.791 15.390 -6.667 1.00 0.00 C ATOM 160 CG GLU A 14 -6.335 16.598 -7.410 1.00 0.00 C ATOM 161 CD GLU A 14 -5.427 17.046 -8.540 1.00 0.00 C ATOM 162 OE1 GLU A 14 -4.297 17.492 -8.252 1.00 0.00 O ATOM 163 OE2 GLU A 14 -5.848 16.948 -9.712 1.00 0.00 O ATOM 0 H GLU A 14 -6.151 16.313 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.798 14.907 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.890 15.681 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.497 14.630 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.319 16.359 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.469 17.421 -6.708 1.00 0.00 H new ATOM 170 N GLU A 15 -5.539 12.951 -4.686 1.00 0.00 N ATOM 171 CA GLU A 15 -5.179 11.558 -4.451 1.00 0.00 C ATOM 172 C GLU A 15 -6.378 10.765 -3.938 1.00 0.00 C ATOM 173 O GLU A 15 -6.673 9.675 -4.431 1.00 0.00 O ATOM 174 CB GLU A 15 -4.028 11.468 -3.447 1.00 0.00 C ATOM 175 CG GLU A 15 -3.559 10.047 -3.184 1.00 0.00 C ATOM 176 CD GLU A 15 -2.675 9.510 -4.293 1.00 0.00 C ATOM 177 OE1 GLU A 15 -1.490 9.899 -4.349 1.00 0.00 O ATOM 178 OE2 GLU A 15 -3.169 8.700 -5.105 1.00 0.00 O ATOM 0 H GLU A 15 -4.984 13.625 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.859 11.127 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.188 12.056 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.343 11.918 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.012 10.017 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.427 9.397 -3.069 1.00 0.00 H new ATOM 185 N LEU A 16 -7.065 11.319 -2.946 1.00 0.00 N ATOM 186 CA LEU A 16 -8.233 10.665 -2.365 1.00 0.00 C ATOM 187 C LEU A 16 -9.367 10.574 -3.380 1.00 0.00 C ATOM 188 O LEU A 16 -9.966 9.513 -3.563 1.00 0.00 O ATOM 189 CB LEU A 16 -8.703 11.425 -1.124 1.00 0.00 C ATOM 190 CG LEU A 16 -7.756 11.403 0.076 1.00 0.00 C ATOM 191 CD1 LEU A 16 -8.235 12.366 1.152 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.637 9.993 0.635 1.00 0.00 C ATOM 0 H LEU A 16 -6.834 12.220 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.947 9.654 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.879 12.464 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.662 11.012 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.770 11.725 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.549 12.337 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.268 13.377 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.232 12.075 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.959 9.996 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.619 9.644 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.247 9.328 -0.136 1.00 0.00 H new ATOM 204 N SER A 17 -9.657 11.691 -4.039 1.00 0.00 N ATOM 205 CA SER A 17 -10.721 11.738 -5.035 1.00 0.00 C ATOM 206 C SER A 17 -10.494 10.691 -6.121 1.00 0.00 C ATOM 207 O SER A 17 -11.419 9.985 -6.522 1.00 0.00 O ATOM 208 CB SER A 17 -10.800 13.131 -5.662 1.00 0.00 C ATOM 209 OG SER A 17 -9.578 13.479 -6.288 1.00 0.00 O ATOM 0 H SER A 17 -9.170 12.576 -3.901 1.00 0.00 H new ATOM 0 HA SER A 17 -11.664 11.519 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.608 13.159 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.041 13.866 -4.894 1.00 0.00 H new ATOM 0 HG SER A 17 -8.850 12.950 -5.901 1.00 0.00 H new ATOM 215 N VAL A 18 -9.255 10.597 -6.594 1.00 0.00 N ATOM 216 CA VAL A 18 -8.905 9.637 -7.634 1.00 0.00 C ATOM 217 C VAL A 18 -8.910 8.212 -7.090 1.00 0.00 C ATOM 218 O VAL A 18 -9.460 7.301 -7.710 1.00 0.00 O ATOM 219 CB VAL A 18 -7.519 9.940 -8.235 1.00 0.00 C ATOM 220 CG1 VAL A 18 -7.150 8.899 -9.280 1.00 0.00 C ATOM 221 CG2 VAL A 18 -7.493 11.339 -8.832 1.00 0.00 C ATOM 0 H VAL A 18 -8.477 11.174 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.659 9.728 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.778 9.896 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.168 9.130 -9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.126 7.912 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.891 8.908 -10.079 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.507 11.537 -9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.244 11.413 -9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.709 12.071 -8.054 1.00 0.00 H new ATOM 231 N LEU A 19 -8.294 8.027 -5.928 1.00 0.00 N ATOM 232 CA LEU A 19 -8.227 6.712 -5.299 1.00 0.00 C ATOM 233 C LEU A 19 -9.606 6.061 -5.250 1.00 0.00 C ATOM 234 O LEU A 19 -9.796 4.950 -5.742 1.00 0.00 O ATOM 235 CB LEU A 19 -7.656 6.830 -3.885 1.00 0.00 C ATOM 236 CG LEU A 19 -6.133 6.750 -3.767 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.692 7.039 -2.341 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.635 5.384 -4.216 1.00 0.00 C ATOM 0 H LEU A 19 -7.834 8.770 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.569 6.083 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.984 7.779 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.090 6.040 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.697 7.506 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.606 6.977 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.016 8.040 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.137 6.307 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.549 5.345 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.080 4.611 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.919 5.217 -5.255 1.00 0.00 H new ATOM 250 N ALA A 20 -10.565 6.763 -4.654 1.00 0.00 N ATOM 251 CA ALA A 20 -11.927 6.255 -4.544 1.00 0.00 C ATOM 252 C ALA A 20 -12.396 5.653 -5.864 1.00 0.00 C ATOM 253 O ALA A 20 -13.077 4.628 -5.882 1.00 0.00 O ATOM 254 CB ALA A 20 -12.870 7.365 -4.104 1.00 0.00 C ATOM 0 H ALA A 20 -10.424 7.685 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.935 5.466 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.884 6.972 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.554 7.748 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.849 8.172 -4.837 1.00 0.00 H new ATOM 260 N ALA A 21 -12.028 6.297 -6.967 1.00 0.00 N ATOM 261 CA ALA A 21 -12.410 5.823 -8.292 1.00 0.00 C ATOM 262 C ALA A 21 -11.966 4.381 -8.508 1.00 0.00 C ATOM 263 O ALA A 21 -12.773 3.518 -8.856 1.00 0.00 O ATOM 264 CB ALA A 21 -11.821 6.726 -9.365 1.00 0.00 C ATOM 0 H ALA A 21 -11.466 7.148 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.497 5.855 -8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.114 6.361 -10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.192 7.742 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.734 6.724 -9.286 1.00 0.00 H new ATOM 270 N ILE A 22 -10.678 4.125 -8.301 1.00 0.00 N ATOM 271 CA ILE A 22 -10.128 2.787 -8.474 1.00 0.00 C ATOM 272 C ILE A 22 -10.780 1.796 -7.515 1.00 0.00 C ATOM 273 O ILE A 22 -11.061 0.655 -7.881 1.00 0.00 O ATOM 274 CB ILE A 22 -8.604 2.772 -8.252 1.00 0.00 C ATOM 275 CG1 ILE A 22 -7.909 3.682 -9.267 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.068 1.351 -8.352 1.00 0.00 C ATOM 277 CD1 ILE A 22 -6.629 4.298 -8.750 1.00 0.00 C ATOM 0 H ILE A 22 -9.996 4.827 -8.013 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.341 2.489 -9.501 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.394 3.149 -7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.688 3.107 -10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.594 4.478 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.990 1.357 -8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.543 0.729 -7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.287 0.948 -9.341 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.191 4.930 -9.523 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.846 4.900 -7.868 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.926 3.508 -8.486 1.00 0.00 H new ATOM 376 N GLU A 28 -15.195 -2.034 -1.041 1.00 0.00 N ATOM 377 CA GLU A 28 -13.767 -2.096 -1.329 1.00 0.00 C ATOM 378 C GLU A 28 -13.092 -0.762 -1.023 1.00 0.00 C ATOM 379 O GLU A 28 -11.950 -0.527 -1.419 1.00 0.00 O ATOM 380 CB GLU A 28 -13.536 -2.473 -2.794 1.00 0.00 C ATOM 381 CG GLU A 28 -13.575 -3.970 -3.051 1.00 0.00 C ATOM 382 CD GLU A 28 -12.301 -4.669 -2.618 1.00 0.00 C ATOM 383 OE1 GLU A 28 -11.254 -4.448 -3.261 1.00 0.00 O ATOM 384 OE2 GLU A 28 -12.352 -5.437 -1.634 1.00 0.00 O ATOM 0 HA GLU A 28 -13.326 -2.861 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.294 -1.988 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.569 -2.083 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.422 -4.404 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.740 -4.148 -4.114 1.00 0.00 H new ATOM 391 N TRP A 29 -13.806 0.107 -0.318 1.00 0.00 N ATOM 392 CA TRP A 29 -13.277 1.418 0.041 1.00 0.00 C ATOM 393 C TRP A 29 -13.697 1.807 1.454 1.00 0.00 C ATOM 394 O TRP A 29 -14.886 1.864 1.764 1.00 0.00 O ATOM 395 CB TRP A 29 -13.757 2.475 -0.955 1.00 0.00 C ATOM 396 CG TRP A 29 -13.356 3.870 -0.581 1.00 0.00 C ATOM 397 CD1 TRP A 29 -14.185 4.888 -0.205 1.00 0.00 C ATOM 398 CD2 TRP A 29 -12.026 4.400 -0.549 1.00 0.00 C ATOM 399 NE1 TRP A 29 -13.450 6.019 0.059 1.00 0.00 N ATOM 400 CE2 TRP A 29 -12.123 5.745 -0.144 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.763 3.868 -0.820 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -11.006 6.564 -0.006 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -9.654 4.681 -0.684 1.00 0.00 C ATOM 404 CH2 TRP A 29 -9.781 6.017 -0.279 1.00 0.00 C ATOM 0 H TRP A 29 -14.753 -0.072 0.017 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.189 1.364 0.007 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.357 2.242 -1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.843 2.425 -1.031 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -15.260 4.815 -0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -13.831 6.917 0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.655 2.839 -1.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.102 7.594 0.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.673 4.280 -0.893 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.895 6.627 -0.180 1.00 0.00 H new ATOM 415 N GLU A 30 -12.713 2.073 2.307 1.00 0.00 N ATOM 416 CA GLU A 30 -12.982 2.455 3.688 1.00 0.00 C ATOM 417 C GLU A 30 -11.983 3.504 4.168 1.00 0.00 C ATOM 418 O GLU A 30 -10.773 3.344 4.006 1.00 0.00 O ATOM 419 CB GLU A 30 -12.927 1.228 4.601 1.00 0.00 C ATOM 420 CG GLU A 30 -13.756 1.373 5.866 1.00 0.00 C ATOM 421 CD GLU A 30 -14.192 0.036 6.434 1.00 0.00 C ATOM 422 OE1 GLU A 30 -15.269 -0.455 6.037 1.00 0.00 O ATOM 423 OE2 GLU A 30 -13.455 -0.518 7.277 1.00 0.00 O ATOM 0 H GLU A 30 -11.723 2.031 2.066 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.983 2.885 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.275 0.357 4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.890 1.037 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.176 1.911 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.637 1.977 5.651 1.00 0.00 H new ATOM 430 N VAL A 31 -12.498 4.578 4.758 1.00 0.00 N ATOM 431 CA VAL A 31 -11.652 5.654 5.261 1.00 0.00 C ATOM 432 C VAL A 31 -11.855 5.857 6.758 1.00 0.00 C ATOM 433 O VAL A 31 -12.804 6.519 7.183 1.00 0.00 O ATOM 434 CB VAL A 31 -11.936 6.979 4.531 1.00 0.00 C ATOM 435 CG1 VAL A 31 -11.175 8.123 5.184 1.00 0.00 C ATOM 436 CG2 VAL A 31 -11.577 6.863 3.057 1.00 0.00 C ATOM 0 H VAL A 31 -13.497 4.726 4.899 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.619 5.359 5.074 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.002 7.193 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.388 9.051 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.485 8.219 6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.105 7.919 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.784 7.809 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.518 6.625 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.171 6.072 2.599 1.00 0.00 H new ATOM 446 N LEU A 32 -10.959 5.286 7.554 1.00 0.00 N ATOM 447 CA LEU A 32 -11.038 5.405 9.006 1.00 0.00 C ATOM 448 C LEU A 32 -11.503 6.799 9.414 1.00 0.00 C ATOM 449 O LEU A 32 -12.585 6.964 9.976 1.00 0.00 O ATOM 450 CB LEU A 32 -9.678 5.103 9.638 1.00 0.00 C ATOM 451 CG LEU A 32 -9.011 3.798 9.202 1.00 0.00 C ATOM 452 CD1 LEU A 32 -7.622 3.680 9.811 1.00 0.00 C ATOM 453 CD2 LEU A 32 -9.869 2.604 9.592 1.00 0.00 C ATOM 0 H LEU A 32 -10.168 4.735 7.219 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.767 4.679 9.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.002 5.927 9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.800 5.082 10.721 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.911 3.808 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.162 2.745 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.008 4.518 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.699 3.692 10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.379 1.684 9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.002 2.589 10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.843 2.682 9.108 1.00 0.00 H new ATOM 465 N SER A 33 -10.678 7.800 9.123 1.00 0.00 N ATOM 466 CA SER A 33 -11.003 9.181 9.461 1.00 0.00 C ATOM 467 C SER A 33 -10.163 10.154 8.639 1.00 0.00 C ATOM 468 O SER A 33 -9.226 9.752 7.949 1.00 0.00 O ATOM 469 CB SER A 33 -10.778 9.430 10.954 1.00 0.00 C ATOM 470 OG SER A 33 -11.891 8.996 11.716 1.00 0.00 O ATOM 0 H SER A 33 -9.780 7.681 8.654 1.00 0.00 H new ATOM 0 HA SER A 33 -12.054 9.348 9.227 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.881 8.905 11.283 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.607 10.492 11.127 1.00 0.00 H new ATOM 0 HG SER A 33 -12.404 8.339 11.201 1.00 0.00 H new ATOM 476 N ARG A 34 -10.505 11.435 8.719 1.00 0.00 N ATOM 477 CA ARG A 34 -9.784 12.466 7.982 1.00 0.00 C ATOM 478 C ARG A 34 -9.476 13.661 8.880 1.00 0.00 C ATOM 479 O ARG A 34 -10.375 14.407 9.268 1.00 0.00 O ATOM 480 CB ARG A 34 -10.599 12.922 6.771 1.00 0.00 C ATOM 481 CG ARG A 34 -10.955 11.793 5.817 1.00 0.00 C ATOM 482 CD ARG A 34 -9.889 11.608 4.749 1.00 0.00 C ATOM 483 NE ARG A 34 -10.436 11.036 3.522 1.00 0.00 N ATOM 484 CZ ARG A 34 -11.331 11.654 2.759 1.00 0.00 C ATOM 485 NH1 ARG A 34 -11.776 12.857 3.095 1.00 0.00 N ATOM 486 NH2 ARG A 34 -11.781 11.068 1.657 1.00 0.00 N ATOM 0 H ARG A 34 -11.277 11.784 9.287 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.842 12.039 7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.517 13.396 7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.035 13.681 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.074 10.866 6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.913 12.005 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.429 12.570 4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.101 10.959 5.132 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.114 10.112 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.431 13.310 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.463 13.329 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.440 10.143 1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.468 11.542 1.071 1.00 0.00 H new ATOM 552 N GLY A 39 -3.408 14.670 9.719 1.00 0.00 N ATOM 553 CA GLY A 39 -3.203 14.154 8.378 1.00 0.00 C ATOM 554 C GLY A 39 -4.377 13.330 7.887 1.00 0.00 C ATOM 555 O GLY A 39 -5.490 13.456 8.399 1.00 0.00 O ATOM 0 HA2 GLY A 39 -3.036 14.986 7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.301 13.542 8.362 1.00 0.00 H new ATOM 559 N THR A 40 -4.130 12.486 6.891 1.00 0.00 N ATOM 560 CA THR A 40 -5.176 11.641 6.328 1.00 0.00 C ATOM 561 C THR A 40 -4.941 10.174 6.670 1.00 0.00 C ATOM 562 O THR A 40 -3.875 9.624 6.392 1.00 0.00 O ATOM 563 CB THR A 40 -5.259 11.793 4.798 1.00 0.00 C ATOM 564 OG1 THR A 40 -5.551 13.152 4.455 1.00 0.00 O ATOM 565 CG2 THR A 40 -6.328 10.878 4.220 1.00 0.00 C ATOM 0 H THR A 40 -3.214 12.369 6.457 1.00 0.00 H new ATOM 0 HA THR A 40 -6.118 11.968 6.769 1.00 0.00 H new ATOM 0 HB THR A 40 -4.295 11.511 4.375 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.600 13.240 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.368 11.003 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.087 9.842 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.296 11.133 4.651 1.00 0.00 H new ATOM 573 N VAL A 41 -5.944 9.544 7.274 1.00 0.00 N ATOM 574 CA VAL A 41 -5.847 8.139 7.653 1.00 0.00 C ATOM 575 C VAL A 41 -6.983 7.326 7.042 1.00 0.00 C ATOM 576 O VAL A 41 -8.143 7.737 7.076 1.00 0.00 O ATOM 577 CB VAL A 41 -5.872 7.967 9.183 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.778 6.496 9.557 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.745 8.761 9.827 1.00 0.00 C ATOM 0 H VAL A 41 -6.833 9.984 7.511 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.895 7.773 7.270 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.820 8.353 9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.797 6.395 10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.622 5.957 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.847 6.081 9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.778 8.628 10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.787 8.407 9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.862 9.818 9.588 1.00 0.00 H new ATOM 589 N PHE A 42 -6.641 6.169 6.485 1.00 0.00 N ATOM 590 CA PHE A 42 -7.632 5.297 5.865 1.00 0.00 C ATOM 591 C PHE A 42 -7.077 3.888 5.680 1.00 0.00 C ATOM 592 O PHE A 42 -5.863 3.682 5.687 1.00 0.00 O ATOM 593 CB PHE A 42 -8.071 5.866 4.515 1.00 0.00 C ATOM 594 CG PHE A 42 -6.960 5.942 3.507 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.555 4.811 2.816 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.320 7.144 3.250 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.532 4.878 1.888 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.297 7.217 2.324 1.00 0.00 C ATOM 599 CZ PHE A 42 -4.903 6.083 1.641 1.00 0.00 C ATOM 0 H PHE A 42 -5.686 5.814 6.450 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.497 5.244 6.527 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.874 5.248 4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.482 6.864 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.044 3.867 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.624 8.034 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.225 3.989 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.806 8.160 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.105 6.138 0.915 1.00 0.00 H new ATOM 609 N ARG A 43 -7.974 2.921 5.516 1.00 0.00 N ATOM 610 CA ARG A 43 -7.575 1.532 5.330 1.00 0.00 C ATOM 611 C ARG A 43 -8.552 0.803 4.413 1.00 0.00 C ATOM 612 O ARG A 43 -9.679 0.498 4.806 1.00 0.00 O ATOM 613 CB ARG A 43 -7.497 0.817 6.681 1.00 0.00 C ATOM 614 CG ARG A 43 -7.326 -0.689 6.564 1.00 0.00 C ATOM 615 CD ARG A 43 -7.344 -1.359 7.929 1.00 0.00 C ATOM 616 NE ARG A 43 -8.675 -1.340 8.530 1.00 0.00 N ATOM 617 CZ ARG A 43 -8.894 -1.470 9.834 1.00 0.00 C ATOM 618 NH1 ARG A 43 -7.876 -1.629 10.668 1.00 0.00 N ATOM 619 NH2 ARG A 43 -10.134 -1.442 10.305 1.00 0.00 N ATOM 0 H ARG A 43 -8.982 3.075 5.508 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.590 1.523 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.663 1.226 7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.404 1.028 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.124 -1.100 5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.385 -0.912 6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.005 -2.390 7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.640 -0.854 8.590 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.480 -1.220 7.915 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.921 -1.652 10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.047 -1.729 11.669 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.920 -1.321 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.302 -1.542 11.306 1.00 0.00 H new ATOM 633 N ILE A 44 -8.114 0.527 3.189 1.00 0.00 N ATOM 634 CA ILE A 44 -8.950 -0.166 2.217 1.00 0.00 C ATOM 635 C ILE A 44 -8.519 -1.620 2.059 1.00 0.00 C ATOM 636 O ILE A 44 -7.340 -1.948 2.198 1.00 0.00 O ATOM 637 CB ILE A 44 -8.902 0.524 0.840 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.482 0.481 0.273 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.391 1.961 0.951 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.154 -0.814 -0.437 1.00 0.00 C ATOM 0 H ILE A 44 -7.185 0.773 2.847 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.971 -0.131 2.597 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.561 -0.012 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.352 1.310 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.770 0.631 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.351 2.436 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.418 1.969 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.754 2.509 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.132 -0.774 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.252 -1.646 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.842 -0.956 -1.270 1.00 0.00 H new ATOM 652 N HIS A 45 -9.482 -2.488 1.767 1.00 0.00 N ATOM 653 CA HIS A 45 -9.203 -3.908 1.587 1.00 0.00 C ATOM 654 C HIS A 45 -8.776 -4.201 0.152 1.00 0.00 C ATOM 655 O HIS A 45 -9.511 -3.922 -0.795 1.00 0.00 O ATOM 656 CB HIS A 45 -10.434 -4.741 1.946 1.00 0.00 C ATOM 657 CG HIS A 45 -10.485 -5.146 3.387 1.00 0.00 C ATOM 658 ND1 HIS A 45 -11.634 -5.081 4.147 1.00 0.00 N ATOM 659 CD2 HIS A 45 -9.520 -5.623 4.207 1.00 0.00 C ATOM 660 CE1 HIS A 45 -11.373 -5.500 5.372 1.00 0.00 C ATOM 661 NE2 HIS A 45 -10.097 -5.835 5.435 1.00 0.00 N ATOM 0 H HIS A 45 -10.463 -2.233 1.650 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.384 -4.179 2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.331 -4.170 1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.450 -5.637 1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.488 -5.803 3.945 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -12.082 -5.559 6.184 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.618 -6.193 6.261 1.00 0.00 H new ATOM 670 N THR A 46 -7.582 -4.765 -0.002 1.00 0.00 N ATOM 671 CA THR A 46 -7.056 -5.094 -1.321 1.00 0.00 C ATOM 672 C THR A 46 -6.595 -6.545 -1.383 1.00 0.00 C ATOM 673 O THR A 46 -6.264 -7.147 -0.361 1.00 0.00 O ATOM 674 CB THR A 46 -5.879 -4.176 -1.701 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.548 -4.352 -3.083 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.661 -4.474 -0.841 1.00 0.00 C ATOM 0 H THR A 46 -6.961 -5.004 0.771 1.00 0.00 H new ATOM 0 HA THR A 46 -7.869 -4.944 -2.032 1.00 0.00 H new ATOM 0 HB THR A 46 -6.182 -3.143 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.990 -3.604 -3.384 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.843 -3.813 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.908 -4.312 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.358 -5.511 -0.986 1.00 0.00 H new ATOM 684 N LYS A 47 -6.574 -7.104 -2.589 1.00 0.00 N ATOM 685 CA LYS A 47 -6.151 -8.485 -2.785 1.00 0.00 C ATOM 686 C LYS A 47 -5.008 -8.566 -3.792 1.00 0.00 C ATOM 687 O LYS A 47 -4.978 -7.823 -4.773 1.00 0.00 O ATOM 688 CB LYS A 47 -7.328 -9.337 -3.265 1.00 0.00 C ATOM 689 CG LYS A 47 -8.514 -9.324 -2.317 1.00 0.00 C ATOM 690 CD LYS A 47 -9.436 -10.507 -2.560 1.00 0.00 C ATOM 691 CE LYS A 47 -10.138 -10.400 -3.905 1.00 0.00 C ATOM 692 NZ LYS A 47 -11.182 -9.338 -3.903 1.00 0.00 N ATOM 0 H LYS A 47 -6.845 -6.621 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.798 -8.870 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.651 -8.978 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.991 -10.365 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.158 -9.345 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.071 -8.396 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.861 -11.432 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.179 -10.560 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.404 -10.186 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.595 -11.358 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.739 -9.397 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.810 -9.470 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.727 -8.404 -3.844 1.00 0.00 H new ATOM 706 N ALA A 48 -4.069 -9.473 -3.543 1.00 0.00 N ATOM 707 CA ALA A 48 -2.926 -9.653 -4.430 1.00 0.00 C ATOM 708 C ALA A 48 -3.070 -10.923 -5.261 1.00 0.00 C ATOM 709 O ALA A 48 -4.086 -11.613 -5.184 1.00 0.00 O ATOM 710 CB ALA A 48 -1.635 -9.690 -3.626 1.00 0.00 C ATOM 0 H ALA A 48 -4.077 -10.095 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.892 -8.805 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.790 -9.825 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.519 -8.753 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.670 -10.519 -2.919 1.00 0.00 H new ATOM 716 N GLU A 49 -2.048 -11.225 -6.055 1.00 0.00 N ATOM 717 CA GLU A 49 -2.063 -12.412 -6.902 1.00 0.00 C ATOM 718 C GLU A 49 -1.880 -13.677 -6.068 1.00 0.00 C ATOM 719 O GLU A 49 -1.998 -14.791 -6.576 1.00 0.00 O ATOM 720 CB GLU A 49 -0.964 -12.324 -7.962 1.00 0.00 C ATOM 721 CG GLU A 49 -1.272 -11.337 -9.076 1.00 0.00 C ATOM 722 CD GLU A 49 -2.253 -11.890 -10.091 1.00 0.00 C ATOM 723 OE1 GLU A 49 -1.810 -12.595 -11.022 1.00 0.00 O ATOM 724 OE2 GLU A 49 -3.464 -11.618 -9.954 1.00 0.00 O ATOM 0 H GLU A 49 -1.199 -10.664 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.032 -12.461 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.029 -12.036 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.809 -13.312 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.679 -10.423 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.346 -11.066 -9.582 1.00 0.00 H new ATOM 731 N GLY A 50 -1.590 -13.495 -4.783 1.00 0.00 N ATOM 732 CA GLY A 50 -1.394 -14.629 -3.899 1.00 0.00 C ATOM 733 C GLY A 50 -0.340 -15.590 -4.413 1.00 0.00 C ATOM 734 O GLY A 50 0.203 -15.402 -5.502 1.00 0.00 O ATOM 0 H GLY A 50 -1.487 -12.583 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.103 -14.270 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.338 -15.160 -3.780 1.00 0.00 H new ATOM 738 N PHE A 51 -0.048 -16.621 -3.628 1.00 0.00 N ATOM 739 CA PHE A 51 0.950 -17.614 -4.009 1.00 0.00 C ATOM 740 C PHE A 51 0.326 -18.712 -4.866 1.00 0.00 C ATOM 741 O PHE A 51 0.841 -19.049 -5.931 1.00 0.00 O ATOM 742 CB PHE A 51 1.592 -18.227 -2.762 1.00 0.00 C ATOM 743 CG PHE A 51 2.503 -17.283 -2.032 1.00 0.00 C ATOM 744 CD1 PHE A 51 2.012 -16.109 -1.483 1.00 0.00 C ATOM 745 CD2 PHE A 51 3.852 -17.568 -1.894 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.848 -15.239 -0.809 1.00 0.00 C ATOM 747 CE2 PHE A 51 4.693 -16.701 -1.222 1.00 0.00 C ATOM 748 CZ PHE A 51 4.190 -15.535 -0.680 1.00 0.00 C ATOM 0 H PHE A 51 -0.488 -16.791 -2.724 1.00 0.00 H new ATOM 0 HA PHE A 51 1.719 -17.113 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.806 -18.558 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.157 -19.113 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.963 -15.871 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.251 -18.478 -2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.452 -14.329 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.742 -16.935 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.846 -14.855 -0.156 1.00 0.00 H new ATOM 758 N MET A 52 -0.785 -19.265 -4.391 1.00 0.00 N ATOM 759 CA MET A 52 -1.480 -20.324 -5.113 1.00 0.00 C ATOM 760 C MET A 52 -2.447 -19.739 -6.137 1.00 0.00 C ATOM 761 O MET A 52 -3.626 -20.095 -6.165 1.00 0.00 O ATOM 762 CB MET A 52 -2.236 -21.226 -4.136 1.00 0.00 C ATOM 763 CG MET A 52 -1.374 -21.745 -2.997 1.00 0.00 C ATOM 764 SD MET A 52 -0.573 -23.312 -3.391 1.00 0.00 S ATOM 765 CE MET A 52 -1.902 -24.465 -3.060 1.00 0.00 C ATOM 0 H MET A 52 -1.223 -18.997 -3.510 1.00 0.00 H new ATOM 0 HA MET A 52 -0.735 -20.919 -5.642 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.078 -20.672 -3.720 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.650 -22.073 -4.683 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.613 -21.003 -2.755 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.991 -21.870 -2.107 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.560 -25.481 -3.258 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.205 -24.381 -2.016 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.751 -24.236 -3.704 1.00 0.00 H new ATOM 775 N ASP A 53 -1.943 -18.842 -6.976 1.00 0.00 N ATOM 776 CA ASP A 53 -2.763 -18.209 -8.003 1.00 0.00 C ATOM 777 C ASP A 53 -4.185 -17.984 -7.500 1.00 0.00 C ATOM 778 O ASP A 53 -5.145 -18.071 -8.265 1.00 0.00 O ATOM 779 CB ASP A 53 -2.785 -19.066 -9.269 1.00 0.00 C ATOM 780 CG ASP A 53 -1.424 -19.648 -9.599 1.00 0.00 C ATOM 781 OD1 ASP A 53 -0.630 -18.956 -10.270 1.00 0.00 O ATOM 782 OD2 ASP A 53 -1.153 -20.794 -9.185 1.00 0.00 O ATOM 0 H ASP A 53 -0.970 -18.536 -6.966 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.323 -17.240 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.503 -19.877 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.131 -18.461 -10.107 1.00 0.00 H new ATOM 787 N ALA A 54 -4.313 -17.697 -6.209 1.00 0.00 N ATOM 788 CA ALA A 54 -5.617 -17.459 -5.604 1.00 0.00 C ATOM 789 C ALA A 54 -5.648 -16.122 -4.872 1.00 0.00 C ATOM 790 O ALA A 54 -4.843 -15.877 -3.973 1.00 0.00 O ATOM 791 CB ALA A 54 -5.972 -18.592 -4.653 1.00 0.00 C ATOM 0 H ALA A 54 -3.528 -17.624 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.359 -17.423 -6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.949 -18.401 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.001 -19.533 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.221 -18.655 -3.866 1.00 0.00 H new ATOM 797 N ASP A 55 -6.580 -15.260 -5.263 1.00 0.00 N ATOM 798 CA ASP A 55 -6.716 -13.947 -4.643 1.00 0.00 C ATOM 799 C ASP A 55 -6.486 -14.031 -3.137 1.00 0.00 C ATOM 800 O ASP A 55 -7.193 -14.751 -2.431 1.00 0.00 O ATOM 801 CB ASP A 55 -8.101 -13.365 -4.928 1.00 0.00 C ATOM 802 CG ASP A 55 -9.213 -14.361 -4.663 1.00 0.00 C ATOM 803 OD1 ASP A 55 -9.478 -14.653 -3.478 1.00 0.00 O ATOM 804 OD2 ASP A 55 -9.820 -14.846 -5.640 1.00 0.00 O ATOM 0 H ASP A 55 -7.253 -15.447 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.960 -13.290 -5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.254 -12.480 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.148 -13.040 -5.967 1.00 0.00 H new ATOM 809 N ILE A 56 -5.494 -13.292 -2.653 1.00 0.00 N ATOM 810 CA ILE A 56 -5.172 -13.283 -1.232 1.00 0.00 C ATOM 811 C ILE A 56 -5.618 -11.981 -0.575 1.00 0.00 C ATOM 812 O ILE A 56 -5.342 -10.884 -1.062 1.00 0.00 O ATOM 813 CB ILE A 56 -3.661 -13.472 -0.995 1.00 0.00 C ATOM 814 CG1 ILE A 56 -3.267 -14.933 -1.223 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.286 -13.029 0.411 1.00 0.00 C ATOM 816 CD1 ILE A 56 -3.912 -15.892 -0.246 1.00 0.00 C ATOM 0 H ILE A 56 -4.899 -12.692 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.710 -14.118 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.115 -12.853 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.542 -15.221 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.183 -15.025 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.216 -13.169 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.537 -11.976 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.837 -13.625 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.588 -16.909 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.617 -15.630 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.996 -15.829 -0.337 1.00 0.00 H new ATOM 828 N PRO A 57 -6.323 -12.102 0.560 1.00 0.00 N ATOM 829 CA PRO A 57 -6.821 -10.945 1.310 1.00 0.00 C ATOM 830 C PRO A 57 -5.696 -10.159 1.977 1.00 0.00 C ATOM 831 O PRO A 57 -5.070 -10.635 2.924 1.00 0.00 O ATOM 832 CB PRO A 57 -7.734 -11.572 2.366 1.00 0.00 C ATOM 833 CG PRO A 57 -7.212 -12.956 2.544 1.00 0.00 C ATOM 834 CD PRO A 57 -6.688 -13.377 1.198 1.00 0.00 C ATOM 0 HA PRO A 57 -7.325 -10.227 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.700 -11.013 3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.773 -11.580 2.037 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.423 -12.982 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.999 -13.629 2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.828 -14.040 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.443 -13.913 0.622 1.00 0.00 H new ATOM 842 N LEU A 58 -5.446 -8.954 1.477 1.00 0.00 N ATOM 843 CA LEU A 58 -4.397 -8.101 2.025 1.00 0.00 C ATOM 844 C LEU A 58 -4.987 -6.827 2.620 1.00 0.00 C ATOM 845 O LEU A 58 -5.964 -6.285 2.106 1.00 0.00 O ATOM 846 CB LEU A 58 -3.381 -7.747 0.938 1.00 0.00 C ATOM 847 CG LEU A 58 -2.159 -6.950 1.396 1.00 0.00 C ATOM 848 CD1 LEU A 58 -1.097 -7.879 1.964 1.00 0.00 C ATOM 849 CD2 LEU A 58 -1.593 -6.132 0.244 1.00 0.00 C ATOM 0 H LEU A 58 -5.955 -8.546 0.693 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.893 -8.651 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.035 -8.672 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.892 -7.177 0.163 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.471 -6.264 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.235 -7.294 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.506 -8.420 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.788 -8.590 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.724 -5.571 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.297 -6.800 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.352 -5.438 -0.117 1.00 0.00 H new ATOM 861 N GLU A 59 -4.384 -6.353 3.707 1.00 0.00 N ATOM 862 CA GLU A 59 -4.850 -5.141 4.371 1.00 0.00 C ATOM 863 C GLU A 59 -3.810 -4.029 4.265 1.00 0.00 C ATOM 864 O GLU A 59 -2.749 -4.095 4.887 1.00 0.00 O ATOM 865 CB GLU A 59 -5.161 -5.426 5.842 1.00 0.00 C ATOM 866 CG GLU A 59 -5.665 -4.212 6.604 1.00 0.00 C ATOM 867 CD GLU A 59 -6.154 -4.559 7.996 1.00 0.00 C ATOM 868 OE1 GLU A 59 -5.307 -4.743 8.895 1.00 0.00 O ATOM 869 OE2 GLU A 59 -7.386 -4.647 8.187 1.00 0.00 O ATOM 0 H GLU A 59 -3.573 -6.789 4.145 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.761 -4.811 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.909 -6.217 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.261 -5.802 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.865 -3.476 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.476 -3.747 6.044 1.00 0.00 H new ATOM 876 N LEU A 60 -4.122 -3.009 3.474 1.00 0.00 N ATOM 877 CA LEU A 60 -3.216 -1.882 3.286 1.00 0.00 C ATOM 878 C LEU A 60 -3.687 -0.666 4.077 1.00 0.00 C ATOM 879 O LEU A 60 -4.857 -0.289 4.017 1.00 0.00 O ATOM 880 CB LEU A 60 -3.110 -1.529 1.801 1.00 0.00 C ATOM 881 CG LEU A 60 -2.008 -2.243 1.018 1.00 0.00 C ATOM 882 CD1 LEU A 60 -2.388 -2.364 -0.449 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.684 -1.507 1.169 1.00 0.00 C ATOM 0 H LEU A 60 -4.996 -2.939 2.952 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.233 -2.173 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.066 -1.750 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.952 -0.454 1.714 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.891 -3.247 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.592 -2.875 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.312 -2.935 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.533 -1.369 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.089 -2.029 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.787 -0.491 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.405 -1.473 2.222 1.00 0.00 H new ATOM 895 N VAL A 61 -2.767 -0.054 4.816 1.00 0.00 N ATOM 896 CA VAL A 61 -3.087 1.122 5.616 1.00 0.00 C ATOM 897 C VAL A 61 -2.125 2.267 5.320 1.00 0.00 C ATOM 898 O VAL A 61 -0.986 2.271 5.786 1.00 0.00 O ATOM 899 CB VAL A 61 -3.042 0.805 7.123 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.344 2.051 7.940 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.017 -0.313 7.460 1.00 0.00 C ATOM 0 H VAL A 61 -1.794 -0.353 4.877 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.099 1.423 5.345 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.037 0.469 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.308 1.807 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.604 2.820 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.338 2.420 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.973 -0.525 8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.028 -0.007 7.192 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.750 -1.210 6.901 1.00 0.00 H new ATOM 911 N PHE A 62 -2.591 3.238 4.542 1.00 0.00 N ATOM 912 CA PHE A 62 -1.772 4.390 4.183 1.00 0.00 C ATOM 913 C PHE A 62 -2.151 5.609 5.019 1.00 0.00 C ATOM 914 O PHE A 62 -3.270 5.705 5.525 1.00 0.00 O ATOM 915 CB PHE A 62 -1.928 4.709 2.695 1.00 0.00 C ATOM 916 CG PHE A 62 -1.202 3.748 1.796 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.127 3.958 1.466 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.849 2.636 1.283 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.797 3.076 0.639 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.185 1.750 0.456 1.00 0.00 C ATOM 921 CZ PHE A 62 0.140 1.970 0.134 1.00 0.00 C ATOM 0 H PHE A 62 -3.532 3.250 4.148 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.730 4.142 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.988 4.703 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.560 5.718 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.645 4.820 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.885 2.459 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.833 3.251 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.701 0.887 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.662 1.279 -0.511 1.00 0.00 H new ATOM 931 N HIS A 63 -1.211 6.538 5.159 1.00 0.00 N ATOM 932 CA HIS A 63 -1.446 7.752 5.934 1.00 0.00 C ATOM 933 C HIS A 63 -0.699 8.936 5.327 1.00 0.00 C ATOM 934 O HIS A 63 0.531 8.938 5.258 1.00 0.00 O ATOM 935 CB HIS A 63 -1.010 7.548 7.385 1.00 0.00 C ATOM 936 CG HIS A 63 -0.603 8.816 8.071 1.00 0.00 C ATOM 937 ND1 HIS A 63 0.662 9.023 8.580 1.00 0.00 N ATOM 938 CD2 HIS A 63 -1.302 9.946 8.331 1.00 0.00 C ATOM 939 CE1 HIS A 63 0.723 10.226 9.123 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.455 10.806 8.986 1.00 0.00 N ATOM 0 H HIS A 63 -0.280 6.474 4.747 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.514 7.968 5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.828 7.090 7.941 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.176 6.847 7.410 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.333 10.136 8.072 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.590 10.661 9.598 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.697 11.741 9.314 1.00 0.00 H new ATOM 949 N LEU A 64 -1.449 9.940 4.888 1.00 0.00 N ATOM 950 CA LEU A 64 -0.858 11.131 4.287 1.00 0.00 C ATOM 951 C LEU A 64 -0.853 12.294 5.273 1.00 0.00 C ATOM 952 O LEU A 64 -1.841 13.013 5.428 1.00 0.00 O ATOM 953 CB LEU A 64 -1.626 11.522 3.023 1.00 0.00 C ATOM 954 CG LEU A 64 -2.020 10.373 2.094 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.056 10.836 1.082 1.00 0.00 C ATOM 956 CD2 LEU A 64 -0.794 9.814 1.387 1.00 0.00 C ATOM 0 H LEU A 64 -2.468 9.954 4.937 1.00 0.00 H new ATOM 0 HA LEU A 64 0.174 10.900 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.533 12.049 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.019 12.228 2.457 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.461 9.579 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.324 10.005 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.945 11.187 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.643 11.648 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.094 8.997 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.324 10.601 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.085 9.443 2.127 1.00 0.00 H new ATOM 968 N PRO A 65 0.285 12.487 5.955 1.00 0.00 N ATOM 969 CA PRO A 65 0.447 13.564 6.936 1.00 0.00 C ATOM 970 C PRO A 65 0.490 14.941 6.283 1.00 0.00 C ATOM 971 O PRO A 65 0.266 15.077 5.081 1.00 0.00 O ATOM 972 CB PRO A 65 1.790 13.243 7.597 1.00 0.00 C ATOM 973 CG PRO A 65 2.537 12.458 6.575 1.00 0.00 C ATOM 974 CD PRO A 65 1.502 11.669 5.821 1.00 0.00 C ATOM 0 HA PRO A 65 -0.388 13.607 7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.326 14.153 7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.653 12.670 8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.090 13.116 5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.265 11.797 7.046 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.782 11.534 4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.367 10.674 6.246 1.00 0.00 H new ATOM 982 N VAL A 66 0.781 15.962 7.084 1.00 0.00 N ATOM 983 CA VAL A 66 0.855 17.329 6.583 1.00 0.00 C ATOM 984 C VAL A 66 2.130 17.551 5.778 1.00 0.00 C ATOM 985 O VAL A 66 2.125 18.258 4.771 1.00 0.00 O ATOM 986 CB VAL A 66 0.804 18.352 7.734 1.00 0.00 C ATOM 987 CG1 VAL A 66 -0.518 18.250 8.481 1.00 0.00 C ATOM 988 CG2 VAL A 66 1.977 18.148 8.680 1.00 0.00 C ATOM 0 H VAL A 66 0.969 15.868 8.082 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.010 17.476 5.936 1.00 0.00 H new ATOM 0 HB VAL A 66 0.878 19.354 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.536 18.980 9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.340 18.450 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.626 17.247 8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.925 18.879 9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.936 17.142 9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.912 18.276 8.134 1.00 0.00 H new ATOM 998 N ASN A 67 3.222 16.941 6.228 1.00 0.00 N ATOM 999 CA ASN A 67 4.506 17.071 5.548 1.00 0.00 C ATOM 1000 C ASN A 67 4.463 16.411 4.174 1.00 0.00 C ATOM 1001 O ASN A 67 4.937 16.976 3.187 1.00 0.00 O ATOM 1002 CB ASN A 67 5.619 16.447 6.392 1.00 0.00 C ATOM 1003 CG ASN A 67 5.663 17.011 7.799 1.00 0.00 C ATOM 1004 OD1 ASN A 67 5.322 16.327 8.765 1.00 0.00 O ATOM 1005 ND2 ASN A 67 6.084 18.264 7.921 1.00 0.00 N ATOM 0 H ASN A 67 3.243 16.352 7.060 1.00 0.00 H new ATOM 0 HA ASN A 67 4.713 18.133 5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.473 15.368 6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.579 16.617 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.135 18.697 8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.357 18.793 7.093 1.00 0.00 H new ATOM 1012 N TYR A 68 3.892 15.213 4.116 1.00 0.00 N ATOM 1013 CA TYR A 68 3.789 14.475 2.863 1.00 0.00 C ATOM 1014 C TYR A 68 3.448 15.409 1.707 1.00 0.00 C ATOM 1015 O TYR A 68 2.784 16.432 1.876 1.00 0.00 O ATOM 1016 CB TYR A 68 2.728 13.379 2.978 1.00 0.00 C ATOM 1017 CG TYR A 68 2.037 13.066 1.670 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.236 14.012 1.041 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.184 11.825 1.063 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.602 13.730 -0.153 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.555 11.535 -0.132 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.765 12.490 -0.736 1.00 0.00 C ATOM 1023 OH TYR A 68 0.136 12.206 -1.926 1.00 0.00 O ATOM 0 H TYR A 68 3.493 14.732 4.922 1.00 0.00 H new ATOM 0 HA TYR A 68 4.756 14.015 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.195 12.471 3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.980 13.684 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.107 14.984 1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.801 11.074 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.018 14.476 -0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.681 10.565 -0.591 1.00 0.00 H new ATOM 0 HH TYR A 68 0.355 11.291 -2.202 1.00 0.00 H new ATOM 1033 N PRO A 69 3.914 15.051 0.501 1.00 0.00 N ATOM 1034 CA PRO A 69 4.707 13.836 0.287 1.00 0.00 C ATOM 1035 C PRO A 69 6.098 13.937 0.903 1.00 0.00 C ATOM 1036 O PRO A 69 6.752 12.924 1.151 1.00 0.00 O ATOM 1037 CB PRO A 69 4.803 13.739 -1.237 1.00 0.00 C ATOM 1038 CG PRO A 69 4.640 15.140 -1.718 1.00 0.00 C ATOM 1039 CD PRO A 69 3.703 15.804 -0.747 1.00 0.00 C ATOM 0 HA PRO A 69 4.251 12.964 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.762 13.323 -1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.027 13.089 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.600 15.656 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.234 15.161 -2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.937 16.861 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.668 15.744 -1.083 1.00 0.00 H new ATOM 1047 N SER A 70 6.545 15.165 1.148 1.00 0.00 N ATOM 1048 CA SER A 70 7.860 15.397 1.733 1.00 0.00 C ATOM 1049 C SER A 70 8.221 14.289 2.717 1.00 0.00 C ATOM 1050 O SER A 70 9.338 13.770 2.704 1.00 0.00 O ATOM 1051 CB SER A 70 7.896 16.754 2.439 1.00 0.00 C ATOM 1052 OG SER A 70 7.306 16.674 3.725 1.00 0.00 O ATOM 0 H SER A 70 6.016 16.014 0.950 1.00 0.00 H new ATOM 0 HA SER A 70 8.594 15.396 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.928 17.094 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.368 17.494 1.838 1.00 0.00 H new ATOM 0 HG SER A 70 6.581 17.330 3.794 1.00 0.00 H new ATOM 1058 N CYS A 71 7.268 13.931 3.570 1.00 0.00 N ATOM 1059 CA CYS A 71 7.483 12.884 4.563 1.00 0.00 C ATOM 1060 C CYS A 71 6.858 11.569 4.112 1.00 0.00 C ATOM 1061 O CYS A 71 5.837 11.558 3.422 1.00 0.00 O ATOM 1062 CB CYS A 71 6.898 13.304 5.912 1.00 0.00 C ATOM 1063 SG CYS A 71 7.292 12.178 7.271 1.00 0.00 S ATOM 0 H CYS A 71 6.338 14.350 3.594 1.00 0.00 H new ATOM 0 HA CYS A 71 8.557 12.736 4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.266 14.299 6.161 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.815 13.378 5.819 1.00 0.00 H new ATOM 0 HG CYS A 71 6.755 12.619 8.370 1.00 0.00 H new ATOM 1069 N LEU A 72 7.478 10.461 4.502 1.00 0.00 N ATOM 1070 CA LEU A 72 6.983 9.138 4.136 1.00 0.00 C ATOM 1071 C LEU A 72 5.659 8.840 4.831 1.00 0.00 C ATOM 1072 O LEU A 72 5.525 8.970 6.048 1.00 0.00 O ATOM 1073 CB LEU A 72 8.014 8.068 4.500 1.00 0.00 C ATOM 1074 CG LEU A 72 9.277 8.032 3.638 1.00 0.00 C ATOM 1075 CD1 LEU A 72 8.917 7.851 2.171 1.00 0.00 C ATOM 1076 CD2 LEU A 72 10.094 9.300 3.835 1.00 0.00 C ATOM 0 H LEU A 72 8.324 10.452 5.071 1.00 0.00 H new ATOM 0 HA LEU A 72 6.818 9.125 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.311 8.216 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.531 7.092 4.443 1.00 0.00 H new ATOM 0 HG LEU A 72 9.882 7.181 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.828 7.828 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.374 6.914 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.290 8.681 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.989 9.257 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.496 10.166 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.383 9.387 4.882 1.00 0.00 H new ATOM 1088 N PRO A 73 4.655 8.430 4.041 1.00 0.00 N ATOM 1089 CA PRO A 73 3.323 8.103 4.559 1.00 0.00 C ATOM 1090 C PRO A 73 3.323 6.824 5.390 1.00 0.00 C ATOM 1091 O PRO A 73 4.138 5.929 5.172 1.00 0.00 O ATOM 1092 CB PRO A 73 2.485 7.917 3.292 1.00 0.00 C ATOM 1093 CG PRO A 73 3.469 7.532 2.241 1.00 0.00 C ATOM 1094 CD PRO A 73 4.743 8.253 2.582 1.00 0.00 C ATOM 0 HA PRO A 73 2.944 8.877 5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.728 7.145 3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.960 8.835 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.623 6.453 2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.113 7.816 1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.621 7.672 2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.814 9.210 2.065 1.00 0.00 H new ATOM 1102 N GLY A 74 2.401 6.745 6.345 1.00 0.00 N ATOM 1103 CA GLY A 74 2.312 5.571 7.195 1.00 0.00 C ATOM 1104 C GLY A 74 1.790 4.357 6.452 1.00 0.00 C ATOM 1105 O GLY A 74 0.607 4.288 6.116 1.00 0.00 O ATOM 0 H GLY A 74 1.714 7.472 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.297 5.347 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.657 5.786 8.039 1.00 0.00 H new ATOM 1109 N ILE A 75 2.673 3.398 6.195 1.00 0.00 N ATOM 1110 CA ILE A 75 2.295 2.181 5.487 1.00 0.00 C ATOM 1111 C ILE A 75 2.342 0.970 6.412 1.00 0.00 C ATOM 1112 O ILE A 75 3.299 0.788 7.165 1.00 0.00 O ATOM 1113 CB ILE A 75 3.212 1.925 4.277 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.157 3.108 3.308 1.00 0.00 C ATOM 1115 CG2 ILE A 75 2.813 0.637 3.573 1.00 0.00 C ATOM 1116 CD1 ILE A 75 4.347 3.183 2.377 1.00 0.00 C ATOM 0 H ILE A 75 3.655 3.440 6.467 1.00 0.00 H new ATOM 0 HA ILE A 75 1.274 2.326 5.134 1.00 0.00 H new ATOM 0 HB ILE A 75 4.237 1.819 4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.245 3.039 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.095 4.033 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.471 0.470 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.900 -0.199 4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.782 0.716 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.240 4.045 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.261 3.284 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.398 2.274 1.778 1.00 0.00 H new ATOM 1128 N SER A 76 1.303 0.144 6.350 1.00 0.00 N ATOM 1129 CA SER A 76 1.225 -1.050 7.183 1.00 0.00 C ATOM 1130 C SER A 76 0.790 -2.260 6.361 1.00 0.00 C ATOM 1131 O SER A 76 -0.176 -2.192 5.600 1.00 0.00 O ATOM 1132 CB SER A 76 0.247 -0.828 8.339 1.00 0.00 C ATOM 1133 OG SER A 76 0.557 -1.668 9.438 1.00 0.00 O ATOM 0 H SER A 76 0.503 0.280 5.731 1.00 0.00 H new ATOM 0 HA SER A 76 2.218 -1.245 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.282 0.215 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.770 -1.026 8.002 1.00 0.00 H new ATOM 0 HG SER A 76 -0.081 -1.506 10.164 1.00 0.00 H new ATOM 1139 N ILE A 77 1.511 -3.365 6.519 1.00 0.00 N ATOM 1140 CA ILE A 77 1.201 -4.590 5.792 1.00 0.00 C ATOM 1141 C ILE A 77 0.938 -5.746 6.751 1.00 0.00 C ATOM 1142 O ILE A 77 1.832 -6.178 7.477 1.00 0.00 O ATOM 1143 CB ILE A 77 2.342 -4.981 4.835 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.754 -3.780 3.981 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.917 -6.144 3.952 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.728 -3.401 2.936 1.00 0.00 C ATOM 0 H ILE A 77 2.314 -3.437 7.144 1.00 0.00 H new ATOM 0 HA ILE A 77 0.301 -4.392 5.209 1.00 0.00 H new ATOM 0 HB ILE A 77 3.202 -5.295 5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.930 -2.924 4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.699 -4.003 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.734 -6.409 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.667 -7.002 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.045 -5.856 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.087 -2.542 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.569 -4.242 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.788 -3.146 3.425 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.295 -6.243 6.746 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.675 -7.351 7.615 1.00 0.00 C ATOM 1160 C ASN A 78 -1.837 -8.138 7.015 1.00 0.00 C ATOM 1161 O ASN A 78 -2.917 -7.593 6.787 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.059 -6.831 9.001 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.100 -5.770 9.507 1.00 0.00 C ATOM 1164 OD1 ASN A 78 1.072 -6.047 9.761 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -0.596 -4.547 9.655 1.00 0.00 N ATOM 0 H ASN A 78 -1.047 -5.896 6.151 1.00 0.00 H new ATOM 0 HA ASN A 78 0.183 -8.017 7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.067 -6.418 8.965 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.081 -7.663 9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.001 -3.792 9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.574 -4.363 9.432 1.00 0.00 H new ATOM 1172 N SER A 79 -1.607 -9.422 6.763 1.00 0.00 N ATOM 1173 CA SER A 79 -2.632 -10.284 6.187 1.00 0.00 C ATOM 1174 C SER A 79 -2.848 -11.524 7.050 1.00 0.00 C ATOM 1175 O SER A 79 -1.907 -12.265 7.336 1.00 0.00 O ATOM 1176 CB SER A 79 -2.242 -10.699 4.767 1.00 0.00 C ATOM 1177 OG SER A 79 -3.027 -11.791 4.321 1.00 0.00 O ATOM 0 H SER A 79 -0.719 -9.889 6.949 1.00 0.00 H new ATOM 0 HA SER A 79 -3.565 -9.721 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.370 -9.854 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.187 -10.971 4.741 1.00 0.00 H new ATOM 0 HG SER A 79 -3.862 -11.456 3.932 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.093 -11.742 7.462 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.431 -12.891 8.293 1.00 0.00 C ATOM 1185 C GLU A 80 -3.673 -14.134 7.838 1.00 0.00 C ATOM 1186 O GLU A 80 -3.411 -15.038 8.631 1.00 0.00 O ATOM 1187 CB GLU A 80 -5.938 -13.154 8.249 1.00 0.00 C ATOM 1188 CG GLU A 80 -6.390 -13.894 7.001 1.00 0.00 C ATOM 1189 CD GLU A 80 -6.477 -12.990 5.786 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -5.441 -12.404 5.409 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -7.580 -12.869 5.213 1.00 0.00 O ATOM 0 H GLU A 80 -4.883 -11.139 7.234 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.139 -12.664 9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.223 -13.733 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.466 -12.202 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.695 -14.708 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.365 -14.345 7.184 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.325 -14.171 6.556 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.598 -15.304 5.994 1.00 0.00 C ATOM 1200 C GLN A 81 -1.092 -15.096 6.111 1.00 0.00 C ATOM 1201 O GLN A 81 -0.367 -15.975 6.577 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.985 -15.509 4.529 1.00 0.00 C ATOM 1203 CG GLN A 81 -4.486 -15.492 4.287 1.00 0.00 C ATOM 1204 CD GLN A 81 -5.134 -16.838 4.544 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -5.645 -17.096 5.634 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -5.116 -17.705 3.539 1.00 0.00 N ATOM 0 H GLN A 81 -3.534 -13.430 5.887 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.868 -16.195 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.520 -14.729 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.581 -16.461 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.946 -14.743 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.681 -15.190 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.681 -17.449 2.652 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.537 -18.627 3.653 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.627 -13.927 5.683 1.00 0.00 N ATOM 1216 CA LEU A 82 0.795 -13.603 5.739 1.00 0.00 C ATOM 1217 C LEU A 82 1.393 -14.006 7.083 1.00 0.00 C ATOM 1218 O LEU A 82 0.669 -14.315 8.030 1.00 0.00 O ATOM 1219 CB LEU A 82 1.006 -12.106 5.502 1.00 0.00 C ATOM 1220 CG LEU A 82 0.992 -11.649 4.044 1.00 0.00 C ATOM 1221 CD1 LEU A 82 0.988 -10.130 3.960 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.185 -12.223 3.293 1.00 0.00 C ATOM 0 H LEU A 82 -1.213 -13.188 5.294 1.00 0.00 H new ATOM 0 HA LEU A 82 1.302 -14.164 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.231 -11.561 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.961 -11.820 5.942 1.00 0.00 H new ATOM 0 HG LEU A 82 0.080 -12.021 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.978 -9.823 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.102 -9.740 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.881 -9.736 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.158 -11.887 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.108 -11.882 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.144 -13.312 3.323 1.00 0.00 H new ATOM 1234 N THR A 83 2.720 -14.000 7.160 1.00 0.00 N ATOM 1235 CA THR A 83 3.416 -14.364 8.387 1.00 0.00 C ATOM 1236 C THR A 83 3.954 -13.129 9.101 1.00 0.00 C ATOM 1237 O THR A 83 4.197 -12.096 8.477 1.00 0.00 O ATOM 1238 CB THR A 83 4.583 -15.329 8.106 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.552 -14.695 7.264 1.00 0.00 O ATOM 1240 CG2 THR A 83 4.083 -16.603 7.442 1.00 0.00 C ATOM 0 H THR A 83 3.334 -13.747 6.386 1.00 0.00 H new ATOM 0 HA THR A 83 2.688 -14.862 9.027 1.00 0.00 H new ATOM 0 HB THR A 83 5.046 -15.591 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.732 -15.264 6.486 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.925 -17.269 7.253 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.368 -17.099 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.598 -16.355 6.498 1.00 0.00 H new ATOM 1248 N ARG A 84 4.139 -13.243 10.413 1.00 0.00 N ATOM 1249 CA ARG A 84 4.648 -12.135 11.211 1.00 0.00 C ATOM 1250 C ARG A 84 5.937 -11.579 10.612 1.00 0.00 C ATOM 1251 O ARG A 84 6.215 -10.385 10.711 1.00 0.00 O ATOM 1252 CB ARG A 84 4.897 -12.588 12.651 1.00 0.00 C ATOM 1253 CG ARG A 84 5.352 -11.468 13.572 1.00 0.00 C ATOM 1254 CD ARG A 84 4.218 -10.504 13.880 1.00 0.00 C ATOM 1255 NE ARG A 84 4.665 -9.371 14.685 1.00 0.00 N ATOM 1256 CZ ARG A 84 3.981 -8.239 14.806 1.00 0.00 C ATOM 1257 NH1 ARG A 84 2.823 -8.090 14.177 1.00 0.00 N ATOM 1258 NH2 ARG A 84 4.454 -7.253 15.557 1.00 0.00 N ATOM 0 H ARG A 84 3.944 -14.091 10.945 1.00 0.00 H new ATOM 0 HA ARG A 84 3.897 -11.345 11.210 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.981 -13.025 13.049 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.651 -13.375 12.650 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.733 -11.892 14.501 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.176 -10.926 13.108 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.790 -10.139 12.947 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.426 -11.034 14.409 1.00 0.00 H new ATOM 0 HE ARG A 84 5.552 -9.453 15.182 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.456 -8.846 13.599 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.300 -7.220 14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.344 -7.364 16.042 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.927 -6.384 15.649 1.00 0.00 H new ATOM 1272 N ALA A 85 6.720 -12.455 9.990 1.00 0.00 N ATOM 1273 CA ALA A 85 7.977 -12.052 9.373 1.00 0.00 C ATOM 1274 C ALA A 85 7.742 -11.436 7.999 1.00 0.00 C ATOM 1275 O ALA A 85 8.303 -10.390 7.673 1.00 0.00 O ATOM 1276 CB ALA A 85 8.918 -13.243 9.266 1.00 0.00 C ATOM 0 H ALA A 85 6.505 -13.448 9.900 1.00 0.00 H new ATOM 0 HA ALA A 85 8.438 -11.295 10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.853 -12.927 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.121 -13.637 10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.455 -14.019 8.656 1.00 0.00 H new ATOM 1282 N GLN A 86 6.909 -12.091 7.196 1.00 0.00 N ATOM 1283 CA GLN A 86 6.602 -11.607 5.855 1.00 0.00 C ATOM 1284 C GLN A 86 5.874 -10.268 5.914 1.00 0.00 C ATOM 1285 O GLN A 86 6.340 -9.272 5.358 1.00 0.00 O ATOM 1286 CB GLN A 86 5.750 -12.631 5.103 1.00 0.00 C ATOM 1287 CG GLN A 86 6.545 -13.817 4.581 1.00 0.00 C ATOM 1288 CD GLN A 86 5.657 -14.941 4.085 1.00 0.00 C ATOM 1289 OE1 GLN A 86 5.170 -15.755 4.869 1.00 0.00 O ATOM 1290 NE2 GLN A 86 5.443 -14.992 2.775 1.00 0.00 N ATOM 0 H GLN A 86 6.435 -12.958 7.451 1.00 0.00 H new ATOM 0 HA GLN A 86 7.542 -11.466 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.964 -12.994 5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.258 -12.137 4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.193 -13.486 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.192 -14.193 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.867 -14.296 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.855 -15.727 2.383 1.00 0.00 H new ATOM 1299 N CYS A 87 4.731 -10.251 6.589 1.00 0.00 N ATOM 1300 CA CYS A 87 3.938 -9.033 6.719 1.00 0.00 C ATOM 1301 C CYS A 87 4.837 -7.814 6.888 1.00 0.00 C ATOM 1302 O CYS A 87 4.569 -6.749 6.330 1.00 0.00 O ATOM 1303 CB CYS A 87 2.983 -9.146 7.909 1.00 0.00 C ATOM 1304 SG CYS A 87 3.812 -9.295 9.509 1.00 0.00 S ATOM 0 H CYS A 87 4.332 -11.066 7.055 1.00 0.00 H new ATOM 0 HA CYS A 87 3.356 -8.909 5.806 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.337 -8.268 7.927 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.339 -10.013 7.763 1.00 0.00 H new ATOM 0 HG CYS A 87 5.032 -9.706 9.329 1.00 0.00 H new ATOM 1310 N VAL A 88 5.906 -7.975 7.662 1.00 0.00 N ATOM 1311 CA VAL A 88 6.846 -6.887 7.905 1.00 0.00 C ATOM 1312 C VAL A 88 7.751 -6.663 6.699 1.00 0.00 C ATOM 1313 O VAL A 88 7.848 -5.552 6.178 1.00 0.00 O ATOM 1314 CB VAL A 88 7.718 -7.166 9.143 1.00 0.00 C ATOM 1315 CG1 VAL A 88 8.821 -6.125 9.264 1.00 0.00 C ATOM 1316 CG2 VAL A 88 6.863 -7.196 10.401 1.00 0.00 C ATOM 0 H VAL A 88 6.143 -8.849 8.132 1.00 0.00 H new ATOM 0 HA VAL A 88 6.253 -5.990 8.082 1.00 0.00 H new ATOM 0 HB VAL A 88 8.184 -8.144 9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.427 -6.338 10.144 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.450 -6.156 8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.377 -5.134 9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.496 -7.394 11.266 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.367 -6.233 10.527 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.113 -7.982 10.312 1.00 0.00 H new ATOM 1326 N THR A 89 8.414 -7.728 6.258 1.00 0.00 N ATOM 1327 CA THR A 89 9.313 -7.648 5.113 1.00 0.00 C ATOM 1328 C THR A 89 8.708 -6.804 3.997 1.00 0.00 C ATOM 1329 O THR A 89 9.384 -5.961 3.407 1.00 0.00 O ATOM 1330 CB THR A 89 9.644 -9.048 4.560 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.307 -9.826 5.563 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.525 -8.946 3.324 1.00 0.00 C ATOM 0 H THR A 89 8.345 -8.656 6.676 1.00 0.00 H new ATOM 0 HA THR A 89 10.231 -7.177 5.464 1.00 0.00 H new ATOM 0 HB THR A 89 8.710 -9.536 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.666 -10.075 6.261 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.746 -9.946 2.951 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.005 -8.378 2.553 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.456 -8.441 3.581 1.00 0.00 H new ATOM 1340 N VAL A 90 7.431 -7.035 3.712 1.00 0.00 N ATOM 1341 CA VAL A 90 6.734 -6.293 2.668 1.00 0.00 C ATOM 1342 C VAL A 90 6.720 -4.799 2.971 1.00 0.00 C ATOM 1343 O VAL A 90 7.287 -3.998 2.228 1.00 0.00 O ATOM 1344 CB VAL A 90 5.284 -6.786 2.501 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.595 -6.044 1.366 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.257 -8.288 2.261 1.00 0.00 C ATOM 0 H VAL A 90 6.858 -7.730 4.189 1.00 0.00 H new ATOM 0 HA VAL A 90 7.278 -6.467 1.740 1.00 0.00 H new ATOM 0 HB VAL A 90 4.739 -6.578 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.572 -6.406 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.582 -4.976 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.137 -6.218 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.225 -8.619 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.817 -8.522 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.710 -8.800 3.110 1.00 0.00 H new ATOM 1356 N LYS A 91 6.068 -4.430 4.068 1.00 0.00 N ATOM 1357 CA LYS A 91 5.980 -3.032 4.472 1.00 0.00 C ATOM 1358 C LYS A 91 7.342 -2.351 4.377 1.00 0.00 C ATOM 1359 O LYS A 91 7.484 -1.318 3.725 1.00 0.00 O ATOM 1360 CB LYS A 91 5.444 -2.926 5.902 1.00 0.00 C ATOM 1361 CG LYS A 91 5.365 -1.499 6.417 1.00 0.00 C ATOM 1362 CD LYS A 91 5.356 -1.455 7.936 1.00 0.00 C ATOM 1363 CE LYS A 91 5.991 -0.176 8.460 1.00 0.00 C ATOM 1364 NZ LYS A 91 5.806 -0.026 9.930 1.00 0.00 N ATOM 0 H LYS A 91 5.592 -5.080 4.694 1.00 0.00 H new ATOM 0 HA LYS A 91 5.293 -2.526 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.451 -3.374 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.084 -3.508 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.213 -0.928 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.464 -1.022 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.330 -1.528 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.894 -2.317 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.056 -0.177 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.554 0.682 7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.253 0.858 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.790 0.001 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.246 -0.832 10.419 1.00 0.00 H new ATOM 1378 N GLU A 92 8.339 -2.939 5.030 1.00 0.00 N ATOM 1379 CA GLU A 92 9.689 -2.389 5.017 1.00 0.00 C ATOM 1380 C GLU A 92 10.104 -1.997 3.601 1.00 0.00 C ATOM 1381 O GLU A 92 10.691 -0.936 3.385 1.00 0.00 O ATOM 1382 CB GLU A 92 10.683 -3.402 5.589 1.00 0.00 C ATOM 1383 CG GLU A 92 10.649 -3.499 7.105 1.00 0.00 C ATOM 1384 CD GLU A 92 11.082 -2.212 7.781 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.294 -2.060 8.043 1.00 0.00 O ATOM 1386 OE2 GLU A 92 10.211 -1.359 8.048 1.00 0.00 O ATOM 0 H GLU A 92 8.237 -3.796 5.574 1.00 0.00 H new ATOM 0 HA GLU A 92 9.694 -1.494 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.472 -4.384 5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.690 -3.128 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.639 -3.752 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.300 -4.312 7.428 1.00 0.00 H new ATOM 1393 N LYS A 93 9.794 -2.860 2.640 1.00 0.00 N ATOM 1394 CA LYS A 93 10.132 -2.606 1.245 1.00 0.00 C ATOM 1395 C LYS A 93 9.386 -1.386 0.717 1.00 0.00 C ATOM 1396 O LYS A 93 9.996 -0.443 0.210 1.00 0.00 O ATOM 1397 CB LYS A 93 9.801 -3.830 0.388 1.00 0.00 C ATOM 1398 CG LYS A 93 10.743 -5.001 0.609 1.00 0.00 C ATOM 1399 CD LYS A 93 12.128 -4.715 0.053 1.00 0.00 C ATOM 1400 CE LYS A 93 12.970 -5.979 -0.020 1.00 0.00 C ATOM 1401 NZ LYS A 93 14.164 -5.800 -0.893 1.00 0.00 N ATOM 0 H LYS A 93 9.309 -3.742 2.802 1.00 0.00 H new ATOM 0 HA LYS A 93 11.202 -2.408 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.781 -4.149 0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.830 -3.545 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.815 -5.215 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.335 -5.892 0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.039 -4.278 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.629 -3.979 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.292 -6.259 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.361 -6.799 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.712 -6.683 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.856 -5.557 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.758 -5.034 -0.516 1.00 0.00 H new ATOM 1415 N LEU A 94 8.063 -1.408 0.841 1.00 0.00 N ATOM 1416 CA LEU A 94 7.233 -0.301 0.378 1.00 0.00 C ATOM 1417 C LEU A 94 7.835 1.039 0.786 1.00 0.00 C ATOM 1418 O LEU A 94 7.892 1.975 -0.013 1.00 0.00 O ATOM 1419 CB LEU A 94 5.817 -0.430 0.942 1.00 0.00 C ATOM 1420 CG LEU A 94 4.822 -1.216 0.087 1.00 0.00 C ATOM 1421 CD1 LEU A 94 5.148 -2.701 0.120 1.00 0.00 C ATOM 1422 CD2 LEU A 94 3.398 -0.970 0.564 1.00 0.00 C ATOM 0 H LEU A 94 7.542 -2.180 1.258 1.00 0.00 H new ATOM 0 HA LEU A 94 7.190 -0.342 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.879 -0.906 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.418 0.572 1.100 1.00 0.00 H new ATOM 0 HG LEU A 94 4.904 -0.869 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.430 -3.245 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.153 -2.862 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.095 -3.062 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.704 -1.537 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.302 -1.289 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.167 0.093 0.488 1.00 0.00 H new ATOM 1434 N LEU A 95 8.286 1.125 2.032 1.00 0.00 N ATOM 1435 CA LEU A 95 8.887 2.351 2.546 1.00 0.00 C ATOM 1436 C LEU A 95 10.085 2.766 1.699 1.00 0.00 C ATOM 1437 O LEU A 95 10.151 3.894 1.211 1.00 0.00 O ATOM 1438 CB LEU A 95 9.318 2.160 4.001 1.00 0.00 C ATOM 1439 CG LEU A 95 8.271 2.503 5.062 1.00 0.00 C ATOM 1440 CD1 LEU A 95 7.799 3.940 4.901 1.00 0.00 C ATOM 1441 CD2 LEU A 95 7.095 1.541 4.982 1.00 0.00 C ATOM 0 H LEU A 95 8.247 0.360 2.706 1.00 0.00 H new ATOM 0 HA LEU A 95 8.139 3.142 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.617 1.121 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.202 2.772 4.180 1.00 0.00 H new ATOM 0 HG LEU A 95 8.731 2.401 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.054 4.166 5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.647 4.616 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.357 4.069 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.360 1.800 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.635 1.610 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.446 0.523 5.148 1.00 0.00 H new ATOM 1453 N GLU A 96 11.030 1.846 1.528 1.00 0.00 N ATOM 1454 CA GLU A 96 12.225 2.118 0.738 1.00 0.00 C ATOM 1455 C GLU A 96 11.856 2.673 -0.634 1.00 0.00 C ATOM 1456 O GLU A 96 12.370 3.710 -1.053 1.00 0.00 O ATOM 1457 CB GLU A 96 13.058 0.844 0.578 1.00 0.00 C ATOM 1458 CG GLU A 96 13.585 0.292 1.892 1.00 0.00 C ATOM 1459 CD GLU A 96 14.313 -1.027 1.720 1.00 0.00 C ATOM 1460 OE1 GLU A 96 13.639 -2.079 1.713 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.555 -1.008 1.594 1.00 0.00 O ATOM 0 H GLU A 96 10.991 0.907 1.925 1.00 0.00 H new ATOM 0 HA GLU A 96 12.816 2.866 1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.450 0.081 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.900 1.051 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.260 1.019 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.754 0.157 2.584 1.00 0.00 H new ATOM 1468 N GLN A 97 10.963 1.975 -1.328 1.00 0.00 N ATOM 1469 CA GLN A 97 10.526 2.398 -2.653 1.00 0.00 C ATOM 1470 C GLN A 97 9.868 3.773 -2.597 1.00 0.00 C ATOM 1471 O GLN A 97 10.182 4.655 -3.396 1.00 0.00 O ATOM 1472 CB GLN A 97 9.551 1.377 -3.242 1.00 0.00 C ATOM 1473 CG GLN A 97 10.227 0.116 -3.755 1.00 0.00 C ATOM 1474 CD GLN A 97 11.022 0.355 -5.024 1.00 0.00 C ATOM 1475 OE1 GLN A 97 12.170 0.797 -4.977 1.00 0.00 O ATOM 1476 NE2 GLN A 97 10.413 0.064 -6.168 1.00 0.00 N ATOM 0 H GLN A 97 10.528 1.115 -0.995 1.00 0.00 H new ATOM 0 HA GLN A 97 11.405 2.462 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.820 1.104 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.000 1.842 -4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.890 -0.276 -2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.471 -0.646 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.460 -0.300 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.898 0.205 -7.054 1.00 0.00 H new ATOM 1485 N ALA A 98 8.955 3.948 -1.648 1.00 0.00 N ATOM 1486 CA ALA A 98 8.254 5.216 -1.486 1.00 0.00 C ATOM 1487 C ALA A 98 9.187 6.395 -1.740 1.00 0.00 C ATOM 1488 O ALA A 98 8.884 7.275 -2.544 1.00 0.00 O ATOM 1489 CB ALA A 98 7.648 5.310 -0.094 1.00 0.00 C ATOM 0 H ALA A 98 8.683 3.227 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 98 7.452 5.256 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.128 6.262 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.942 4.492 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.439 5.243 0.653 1.00 0.00 H new ATOM 1495 N GLU A 99 10.322 6.405 -1.048 1.00 0.00 N ATOM 1496 CA GLU A 99 11.298 7.478 -1.198 1.00 0.00 C ATOM 1497 C GLU A 99 11.485 7.842 -2.668 1.00 0.00 C ATOM 1498 O GLU A 99 11.161 8.952 -3.090 1.00 0.00 O ATOM 1499 CB GLU A 99 12.640 7.065 -0.590 1.00 0.00 C ATOM 1500 CG GLU A 99 12.741 7.336 0.902 1.00 0.00 C ATOM 1501 CD GLU A 99 12.792 8.817 1.224 1.00 0.00 C ATOM 1502 OE1 GLU A 99 11.714 9.440 1.326 1.00 0.00 O ATOM 1503 OE2 GLU A 99 13.910 9.352 1.376 1.00 0.00 O ATOM 0 H GLU A 99 10.588 5.683 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 99 10.921 8.354 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.799 6.002 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.441 7.598 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.886 6.887 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.634 6.851 1.296 1.00 0.00 H new ATOM 1510 N SER A 100 12.009 6.898 -3.444 1.00 0.00 N ATOM 1511 CA SER A 100 12.243 7.120 -4.866 1.00 0.00 C ATOM 1512 C SER A 100 11.008 7.717 -5.533 1.00 0.00 C ATOM 1513 O SER A 100 11.115 8.493 -6.484 1.00 0.00 O ATOM 1514 CB SER A 100 12.623 5.806 -5.553 1.00 0.00 C ATOM 1515 OG SER A 100 13.054 6.033 -6.883 1.00 0.00 O ATOM 0 H SER A 100 12.279 5.972 -3.112 1.00 0.00 H new ATOM 0 HA SER A 100 13.067 7.827 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.415 5.313 -4.990 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.766 5.132 -5.555 1.00 0.00 H new ATOM 0 HG SER A 100 13.293 5.179 -7.300 1.00 0.00 H new ATOM 1521 N LEU A 101 9.835 7.349 -5.029 1.00 0.00 N ATOM 1522 CA LEU A 101 8.577 7.847 -5.574 1.00 0.00 C ATOM 1523 C LEU A 101 8.042 9.006 -4.739 1.00 0.00 C ATOM 1524 O LEU A 101 6.833 9.141 -4.548 1.00 0.00 O ATOM 1525 CB LEU A 101 7.542 6.723 -5.630 1.00 0.00 C ATOM 1526 CG LEU A 101 7.594 5.823 -6.866 1.00 0.00 C ATOM 1527 CD1 LEU A 101 6.912 4.493 -6.586 1.00 0.00 C ATOM 1528 CD2 LEU A 101 6.947 6.516 -8.057 1.00 0.00 C ATOM 0 H LEU A 101 9.729 6.707 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 101 8.766 8.209 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.665 6.099 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.549 7.168 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 101 8.639 5.628 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.959 3.866 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.418 3.991 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.870 4.668 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.993 5.862 -8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.906 6.740 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.479 7.443 -8.272 1.00 0.00 H new ATOM 1540 N LEU A 102 8.950 9.841 -4.245 1.00 0.00 N ATOM 1541 CA LEU A 102 8.569 10.991 -3.432 1.00 0.00 C ATOM 1542 C LEU A 102 7.845 12.037 -4.273 1.00 0.00 C ATOM 1543 O LEU A 102 7.678 11.870 -5.481 1.00 0.00 O ATOM 1544 CB LEU A 102 9.807 11.611 -2.780 1.00 0.00 C ATOM 1545 CG LEU A 102 10.228 11.013 -1.437 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.725 11.177 -1.227 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.454 11.661 -0.298 1.00 0.00 C ATOM 0 H LEU A 102 9.954 9.743 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 102 7.890 10.645 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.643 11.520 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.624 12.676 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 102 9.997 9.948 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.007 10.746 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.263 10.666 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.980 12.237 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.767 11.223 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.653 12.733 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.387 11.492 -0.441 1.00 0.00 H new ATOM 1559 N SER A 103 7.420 13.118 -3.626 1.00 0.00 N ATOM 1560 CA SER A 103 6.713 14.191 -4.315 1.00 0.00 C ATOM 1561 C SER A 103 5.839 13.635 -5.435 1.00 0.00 C ATOM 1562 O SER A 103 5.779 14.199 -6.527 1.00 0.00 O ATOM 1563 CB SER A 103 7.708 15.204 -4.884 1.00 0.00 C ATOM 1564 OG SER A 103 7.043 16.359 -5.365 1.00 0.00 O ATOM 0 H SER A 103 7.553 13.274 -2.627 1.00 0.00 H new ATOM 0 HA SER A 103 6.070 14.692 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.424 15.488 -4.112 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.276 14.745 -5.693 1.00 0.00 H new ATOM 0 HG SER A 103 6.323 16.092 -5.974 1.00 0.00 H new ATOM 1570 N GLU A 104 5.162 12.526 -5.154 1.00 0.00 N ATOM 1571 CA GLU A 104 4.292 11.893 -6.138 1.00 0.00 C ATOM 1572 C GLU A 104 3.371 10.874 -5.474 1.00 0.00 C ATOM 1573 O GLU A 104 3.624 10.400 -4.366 1.00 0.00 O ATOM 1574 CB GLU A 104 5.125 11.211 -7.225 1.00 0.00 C ATOM 1575 CG GLU A 104 5.446 12.116 -8.403 1.00 0.00 C ATOM 1576 CD GLU A 104 5.844 11.340 -9.643 1.00 0.00 C ATOM 1577 OE1 GLU A 104 5.002 10.576 -10.160 1.00 0.00 O ATOM 1578 OE2 GLU A 104 6.997 11.495 -10.097 1.00 0.00 O ATOM 0 H GLU A 104 5.199 12.048 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 104 3.678 12.669 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.057 10.855 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.587 10.335 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.577 12.734 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.255 12.792 -8.127 1.00 0.00 H new ATOM 1585 N PRO A 105 2.275 10.528 -6.165 1.00 0.00 N ATOM 1586 CA PRO A 105 1.294 9.562 -5.663 1.00 0.00 C ATOM 1587 C PRO A 105 1.843 8.140 -5.633 1.00 0.00 C ATOM 1588 O PRO A 105 1.721 7.397 -6.606 1.00 0.00 O ATOM 1589 CB PRO A 105 0.143 9.670 -6.667 1.00 0.00 C ATOM 1590 CG PRO A 105 0.781 10.158 -7.922 1.00 0.00 C ATOM 1591 CD PRO A 105 1.910 11.053 -7.492 1.00 0.00 C ATOM 0 HA PRO A 105 1.002 9.775 -4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.342 8.706 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.624 10.361 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.150 9.326 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.065 10.702 -8.538 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.748 11.005 -8.187 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.598 12.096 -7.440 1.00 0.00 H new ATOM 1599 N MET A 106 2.447 7.768 -4.509 1.00 0.00 N ATOM 1600 CA MET A 106 3.014 6.433 -4.353 1.00 0.00 C ATOM 1601 C MET A 106 1.995 5.478 -3.739 1.00 0.00 C ATOM 1602 O MET A 106 2.093 4.262 -3.901 1.00 0.00 O ATOM 1603 CB MET A 106 4.269 6.487 -3.480 1.00 0.00 C ATOM 1604 CG MET A 106 3.999 6.944 -2.055 1.00 0.00 C ATOM 1605 SD MET A 106 4.125 8.733 -1.864 1.00 0.00 S ATOM 1606 CE MET A 106 5.858 8.907 -1.444 1.00 0.00 C ATOM 0 H MET A 106 2.556 8.371 -3.694 1.00 0.00 H new ATOM 0 HA MET A 106 3.284 6.063 -5.342 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.727 5.498 -3.455 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.992 7.162 -3.938 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.002 6.620 -1.756 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.707 6.460 -1.382 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.126 9.964 -1.434 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.039 8.477 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.466 8.386 -2.184 1.00 0.00 H new ATOM 1616 N VAL A 107 1.016 6.037 -3.034 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.021 5.235 -2.397 1.00 0.00 C ATOM 1618 C VAL A 107 -0.600 4.213 -3.369 1.00 0.00 C ATOM 1619 O VAL A 107 -0.572 3.009 -3.110 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.162 6.119 -1.859 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.288 5.259 -1.305 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.640 7.076 -0.798 1.00 0.00 C ATOM 0 H VAL A 107 0.920 7.042 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 107 0.449 4.713 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.560 6.710 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.085 5.901 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.680 4.619 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.907 4.640 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.460 7.693 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.214 6.506 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.129 7.716 -1.232 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.124 4.700 -4.489 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.709 3.829 -5.502 1.00 0.00 C ATOM 1634 C HIS A 108 -0.638 2.963 -6.159 1.00 0.00 C ATOM 1635 O HIS A 108 -0.670 1.737 -6.057 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.433 4.658 -6.563 1.00 0.00 C ATOM 1637 CG HIS A 108 -3.185 3.831 -7.560 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -3.008 3.949 -8.922 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -4.121 2.869 -7.385 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.803 3.096 -9.542 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -4.489 2.428 -8.632 1.00 0.00 N ATOM 0 H HIS A 108 -1.156 5.693 -4.718 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.429 3.175 -5.010 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.128 5.338 -6.069 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.705 5.274 -7.090 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -2.364 4.594 -9.379 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.506 2.514 -6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.879 2.967 -10.611 1.00 0.00 H new ATOM 1650 N GLU A 109 0.308 3.610 -6.832 1.00 0.00 N ATOM 1651 CA GLU A 109 1.387 2.899 -7.506 1.00 0.00 C ATOM 1652 C GLU A 109 1.830 1.686 -6.693 1.00 0.00 C ATOM 1653 O GLU A 109 1.871 0.565 -7.202 1.00 0.00 O ATOM 1654 CB GLU A 109 2.577 3.833 -7.739 1.00 0.00 C ATOM 1655 CG GLU A 109 2.303 4.924 -8.761 1.00 0.00 C ATOM 1656 CD GLU A 109 1.715 4.382 -10.049 1.00 0.00 C ATOM 1657 OE1 GLU A 109 1.997 3.213 -10.385 1.00 0.00 O ATOM 1658 OE2 GLU A 109 0.973 5.128 -10.722 1.00 0.00 O ATOM 0 H GLU A 109 0.349 4.625 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 109 1.013 2.553 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.856 4.295 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.432 3.243 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.617 5.655 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.231 5.450 -8.983 1.00 0.00 H new ATOM 1665 N LEU A 110 2.162 1.918 -5.428 1.00 0.00 N ATOM 1666 CA LEU A 110 2.603 0.846 -4.543 1.00 0.00 C ATOM 1667 C LEU A 110 1.590 -0.295 -4.523 1.00 0.00 C ATOM 1668 O LEU A 110 1.943 -1.456 -4.731 1.00 0.00 O ATOM 1669 CB LEU A 110 2.814 1.381 -3.126 1.00 0.00 C ATOM 1670 CG LEU A 110 3.892 2.454 -2.967 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.547 3.392 -1.822 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.253 1.812 -2.741 1.00 0.00 C ATOM 0 H LEU A 110 2.134 2.840 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 110 3.549 0.461 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.868 1.789 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.066 0.543 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 110 3.935 3.038 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.326 4.149 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.592 3.878 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.475 2.823 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.008 2.590 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.223 1.204 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.504 1.182 -3.594 1.00 0.00 H new ATOM 1684 N VAL A 111 0.330 0.045 -4.274 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.736 -0.950 -4.230 1.00 0.00 C ATOM 1686 C VAL A 111 -0.631 -1.919 -5.402 1.00 0.00 C ATOM 1687 O VAL A 111 -0.739 -3.134 -5.229 1.00 0.00 O ATOM 1688 CB VAL A 111 -2.125 -0.285 -4.249 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -3.219 -1.337 -4.353 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.320 0.578 -3.012 1.00 0.00 C ATOM 0 H VAL A 111 0.022 1.002 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.618 -1.500 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.188 0.359 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.193 -0.849 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.088 -1.908 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.160 -2.009 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.307 1.040 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.237 -0.042 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.556 1.355 -2.987 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.420 -1.374 -6.595 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.301 -2.191 -7.798 1.00 0.00 C ATOM 1702 C LEU A 112 1.071 -2.855 -7.872 1.00 0.00 C ATOM 1703 O LEU A 112 1.196 -3.996 -8.315 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.533 -1.335 -9.045 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.978 -0.911 -9.308 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -2.839 -2.122 -9.632 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.541 -0.160 -8.110 1.00 0.00 C ATOM 0 H LEU A 112 -0.328 -0.371 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.061 -2.971 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.079 -0.437 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.174 -1.888 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.989 -0.242 -10.168 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.864 -1.801 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.449 -2.618 -10.521 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.822 -2.816 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.570 0.134 -8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.516 -0.805 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.940 0.730 -7.923 1.00 0.00 H new ATOM 1719 N TRP A 113 2.095 -2.133 -7.432 1.00 0.00 N ATOM 1720 CA TRP A 113 3.458 -2.653 -7.446 1.00 0.00 C ATOM 1721 C TRP A 113 3.555 -3.948 -6.646 1.00 0.00 C ATOM 1722 O TRP A 113 4.027 -4.966 -7.151 1.00 0.00 O ATOM 1723 CB TRP A 113 4.428 -1.615 -6.879 1.00 0.00 C ATOM 1724 CG TRP A 113 5.818 -2.142 -6.690 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.695 -2.512 -7.669 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.490 -2.360 -5.444 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.871 -2.946 -7.108 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.771 -2.862 -5.744 1.00 0.00 C ATOM 1729 CE3 TRP A 113 6.135 -2.178 -4.105 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.695 -3.184 -4.754 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 7.053 -2.498 -3.123 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.321 -2.996 -3.451 1.00 0.00 C ATOM 0 H TRP A 113 2.008 -1.187 -7.061 1.00 0.00 H new ATOM 0 HA TRP A 113 3.728 -2.866 -8.480 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.461 -0.755 -7.548 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.049 -1.259 -5.921 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.493 -2.470 -8.729 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.687 -3.277 -7.623 1.00 0.00 H new ATOM 0 HE3 TRP A 113 5.160 -1.794 -3.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.672 -3.569 -5.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.789 -2.362 -2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 113 9.017 -3.236 -2.660 1.00 0.00 H new ATOM 1743 N ILE A 114 3.105 -3.901 -5.396 1.00 0.00 N ATOM 1744 CA ILE A 114 3.140 -5.071 -4.528 1.00 0.00 C ATOM 1745 C ILE A 114 2.227 -6.174 -5.054 1.00 0.00 C ATOM 1746 O ILE A 114 2.630 -7.333 -5.151 1.00 0.00 O ATOM 1747 CB ILE A 114 2.722 -4.717 -3.089 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.936 -5.917 -2.163 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.270 -4.267 -3.055 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.392 -6.262 -1.947 1.00 0.00 C ATOM 0 H ILE A 114 2.712 -3.065 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 114 4.170 -5.428 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 114 3.345 -3.895 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.474 -5.708 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.424 -6.784 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.989 -4.020 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.147 -3.387 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.631 -5.070 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.467 -7.122 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.855 -6.503 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.905 -5.411 -1.500 1.00 0.00 H new ATOM 1762 N GLN A 115 0.997 -5.803 -5.394 1.00 0.00 N ATOM 1763 CA GLN A 115 0.027 -6.761 -5.912 1.00 0.00 C ATOM 1764 C GLN A 115 0.703 -7.787 -6.815 1.00 0.00 C ATOM 1765 O GLN A 115 0.425 -8.982 -6.729 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.078 -6.035 -6.682 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.258 -5.628 -5.814 1.00 0.00 C ATOM 1768 CD GLN A 115 -3.319 -4.873 -6.590 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -3.163 -4.609 -7.782 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.408 -4.521 -5.915 1.00 0.00 N ATOM 0 H GLN A 115 0.649 -4.847 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.415 -7.286 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.658 -5.145 -7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.434 -6.680 -7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.702 -6.519 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.903 -5.006 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.496 -4.761 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.156 -4.011 -6.384 1.00 0.00 H new ATOM 1779 N GLN A 116 1.592 -7.310 -7.681 1.00 0.00 N ATOM 1780 CA GLN A 116 2.307 -8.186 -8.602 1.00 0.00 C ATOM 1781 C GLN A 116 3.651 -8.609 -8.018 1.00 0.00 C ATOM 1782 O GLN A 116 3.982 -9.793 -7.991 1.00 0.00 O ATOM 1783 CB GLN A 116 2.518 -7.487 -9.945 1.00 0.00 C ATOM 1784 CG GLN A 116 1.304 -7.543 -10.858 1.00 0.00 C ATOM 1785 CD GLN A 116 0.284 -6.468 -10.540 1.00 0.00 C ATOM 1786 OE1 GLN A 116 0.617 -5.286 -10.452 1.00 0.00 O ATOM 1787 NE2 GLN A 116 -0.969 -6.873 -10.365 1.00 0.00 N ATOM 0 H GLN A 116 1.834 -6.323 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 116 1.702 -9.079 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.779 -6.444 -9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.366 -7.945 -10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 116 1.628 -7.436 -11.893 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.833 -8.522 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -1.201 -7.863 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -1.699 -6.194 -10.149 1.00 0.00 H new ATOM 1796 N ASN A 117 4.421 -7.631 -7.551 1.00 0.00 N ATOM 1797 CA ASN A 117 5.730 -7.902 -6.968 1.00 0.00 C ATOM 1798 C ASN A 117 5.600 -8.307 -5.503 1.00 0.00 C ATOM 1799 O ASN A 117 6.409 -7.911 -4.663 1.00 0.00 O ATOM 1800 CB ASN A 117 6.630 -6.671 -7.090 1.00 0.00 C ATOM 1801 CG ASN A 117 6.974 -6.347 -8.531 1.00 0.00 C ATOM 1802 OD1 ASN A 117 8.118 -6.505 -8.958 1.00 0.00 O ATOM 1803 ND2 ASN A 117 5.983 -5.890 -9.287 1.00 0.00 N ATOM 0 H ASN A 117 4.161 -6.645 -7.565 1.00 0.00 H new ATOM 0 HA ASN A 117 6.180 -8.729 -7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.132 -5.814 -6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.549 -6.839 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.154 -5.654 -10.264 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.050 -5.775 -8.890 1.00 0.00 H new ATOM 1810 N LEU A 118 4.576 -9.100 -5.203 1.00 0.00 N ATOM 1811 CA LEU A 118 4.340 -9.560 -3.839 1.00 0.00 C ATOM 1812 C LEU A 118 5.148 -10.819 -3.541 1.00 0.00 C ATOM 1813 O LEU A 118 5.669 -10.988 -2.439 1.00 0.00 O ATOM 1814 CB LEU A 118 2.850 -9.834 -3.623 1.00 0.00 C ATOM 1815 CG LEU A 118 2.490 -10.642 -2.376 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.696 -9.807 -1.122 1.00 0.00 C ATOM 1817 CD2 LEU A 118 1.054 -11.138 -2.459 1.00 0.00 C ATOM 0 H LEU A 118 3.897 -9.437 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 118 4.662 -8.774 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.329 -8.878 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.468 -10.362 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 118 3.150 -11.508 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.435 -10.398 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.740 -9.501 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.061 -8.922 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.815 -11.711 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 118 0.379 -10.286 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.939 -11.773 -3.338 1.00 0.00 H new ATOM 1829 N ARG A 119 5.249 -11.699 -4.532 1.00 0.00 N ATOM 1830 CA ARG A 119 5.995 -12.942 -4.377 1.00 0.00 C ATOM 1831 C ARG A 119 7.478 -12.725 -4.661 1.00 0.00 C ATOM 1832 O ARG A 119 8.340 -13.272 -3.972 1.00 0.00 O ATOM 1833 CB ARG A 119 5.437 -14.017 -5.312 1.00 0.00 C ATOM 1834 CG ARG A 119 6.360 -15.212 -5.485 1.00 0.00 C ATOM 1835 CD ARG A 119 5.576 -16.485 -5.763 1.00 0.00 C ATOM 1836 NE ARG A 119 5.362 -16.694 -7.193 1.00 0.00 N ATOM 1837 CZ ARG A 119 6.247 -17.282 -7.990 1.00 0.00 C ATOM 1838 NH1 ARG A 119 7.400 -17.716 -7.500 1.00 0.00 N ATOM 1839 NH2 ARG A 119 5.979 -17.436 -9.281 1.00 0.00 N ATOM 0 H ARG A 119 4.824 -11.574 -5.451 1.00 0.00 H new ATOM 0 HA ARG A 119 5.886 -13.276 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 119 4.479 -14.362 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.244 -13.573 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.052 -15.023 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.961 -15.343 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.112 -17.339 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.613 -16.436 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 119 4.485 -16.371 -7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 119 7.609 -17.599 -6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 119 8.078 -18.167 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 119 5.093 -17.103 -9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 119 6.659 -17.888 -9.893 1.00 0.00 H new ATOM 1853 N HIS A 120 7.769 -11.924 -5.682 1.00 0.00 N ATOM 1854 CA HIS A 120 9.148 -11.635 -6.058 1.00 0.00 C ATOM 1855 C HIS A 120 9.940 -11.116 -4.861 1.00 0.00 C ATOM 1856 O HIS A 120 11.090 -11.504 -4.651 1.00 0.00 O ATOM 1857 CB HIS A 120 9.186 -10.610 -7.192 1.00 0.00 C ATOM 1858 CG HIS A 120 10.549 -10.042 -7.441 1.00 0.00 C ATOM 1859 ND1 HIS A 120 10.840 -8.701 -7.312 1.00 0.00 N ATOM 1860 CD2 HIS A 120 11.704 -10.642 -7.812 1.00 0.00 C ATOM 1861 CE1 HIS A 120 12.115 -8.500 -7.594 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.662 -9.662 -7.900 1.00 0.00 N ATOM 0 H HIS A 120 7.068 -11.464 -6.263 1.00 0.00 H new ATOM 0 HA HIS A 120 9.607 -12.562 -6.401 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.824 -11.079 -8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 120 8.500 -9.796 -6.958 1.00 0.00 H new ATOM 0 HD2 HIS A 120 11.846 -11.695 -8.003 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.623 -7.547 -7.577 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.638 -9.808 -8.160 1.00 0.00 H new ATOM 1871 N ILE A 121 9.319 -10.238 -4.082 1.00 0.00 N ATOM 1872 CA ILE A 121 9.966 -9.667 -2.907 1.00 0.00 C ATOM 1873 C ILE A 121 10.186 -10.726 -1.832 1.00 0.00 C ATOM 1874 O ILE A 121 11.324 -11.041 -1.480 1.00 0.00 O ATOM 1875 CB ILE A 121 9.137 -8.513 -2.313 1.00 0.00 C ATOM 1876 CG1 ILE A 121 9.013 -7.372 -3.324 1.00 0.00 C ATOM 1877 CG2 ILE A 121 9.769 -8.018 -1.021 1.00 0.00 C ATOM 1878 CD1 ILE A 121 8.173 -6.215 -2.830 1.00 0.00 C ATOM 0 H ILE A 121 8.368 -9.906 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 121 10.931 -9.279 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 121 8.137 -8.882 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 121 10.010 -7.007 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.577 -7.759 -4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 121 9.172 -7.202 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 121 9.809 -8.834 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 121 10.779 -7.662 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 121 8.129 -5.443 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.165 -6.565 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 121 8.619 -5.801 -1.926 1.00 0.00 H new ATOM 1890 N LEU A 122 9.092 -11.274 -1.316 1.00 0.00 N ATOM 1891 CA LEU A 122 9.165 -12.300 -0.281 1.00 0.00 C ATOM 1892 C LEU A 122 10.142 -13.402 -0.676 1.00 0.00 C ATOM 1893 O LEU A 122 11.093 -13.692 0.050 1.00 0.00 O ATOM 1894 CB LEU A 122 7.779 -12.897 -0.029 1.00 0.00 C ATOM 1895 CG LEU A 122 6.657 -11.896 0.248 1.00 0.00 C ATOM 1896 CD1 LEU A 122 5.319 -12.454 -0.209 1.00 0.00 C ATOM 1897 CD2 LEU A 122 6.612 -11.542 1.728 1.00 0.00 C ATOM 0 H LEU A 122 8.144 -11.025 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 122 9.524 -11.833 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 122 7.500 -13.494 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.848 -13.579 0.819 1.00 0.00 H new ATOM 0 HG LEU A 122 6.860 -10.986 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.533 -11.728 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.356 -12.656 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 122 5.108 -13.379 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.808 -10.829 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.434 -12.444 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.563 -11.099 2.025 1.00 0.00 H new