USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 107 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -158:sc= -1.29 (180deg=-1.93!) USER MOD Set 2.1: A 103 SER OG : rot -106:sc= 1.04 USER MOD Set 2.2: A 104 HIS : no HD1:sc= -0.386 K(o=0.65,f=1.2) USER MOD Single : A 16 CYS SG : rot 85:sc= 0.941 USER MOD Single : A 17 GLN : amide:sc= 0.222 K(o=0.22,f=-0.93) USER MOD Single : A 19 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.69) USER MOD Single : A 20 THR OG1 : rot -66:sc= 1.04 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.918 USER MOD Single : A 27 HIS : no HD1:sc= -0.982 X(o=-0.98,f=-0.66) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 100:sc= 0.611 USER MOD Single : A 42 CYS SG : rot 66:sc= -3.52! USER MOD Single : A 46 TYR OH : rot 66:sc= -0.656 USER MOD Single : A 49 GLN : amide:sc= -2.68 K(o=-2.7,f=-2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -160:sc= -1.03 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00583) USER MOD Single : A 76 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.3) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 60:sc= -1.43! USER MOD Single : A 106 HIS : no HD1:sc= -7.88! C(o=-7.9!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.336 -13.832 -3.063 1.00 0.00 N ATOM 113 CA GLU A 11 0.068 -13.492 -3.260 1.00 0.00 C ATOM 114 C GLU A 11 0.304 -12.003 -3.027 1.00 0.00 C ATOM 115 O GLU A 11 1.330 -11.604 -2.474 1.00 0.00 O ATOM 116 CB GLU A 11 0.516 -13.876 -4.672 1.00 0.00 C ATOM 117 CG GLU A 11 -0.120 -13.030 -5.763 1.00 0.00 C ATOM 118 CD GLU A 11 0.556 -13.211 -7.108 1.00 0.00 C ATOM 119 OE1 GLU A 11 1.804 -13.193 -7.153 1.00 0.00 O ATOM 120 OE2 GLU A 11 -0.164 -13.369 -8.117 1.00 0.00 O ATOM 0 HA GLU A 11 0.657 -14.054 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.600 -13.784 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.274 -14.924 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.174 -13.291 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.075 -11.979 -5.476 1.00 0.00 H new ATOM 127 N LEU A 12 -0.652 -11.184 -3.454 1.00 0.00 N ATOM 128 CA LEU A 12 -0.549 -9.738 -3.293 1.00 0.00 C ATOM 129 C LEU A 12 -0.619 -9.348 -1.820 1.00 0.00 C ATOM 130 O LEU A 12 0.063 -8.423 -1.379 1.00 0.00 O ATOM 131 CB LEU A 12 -1.664 -9.037 -4.072 1.00 0.00 C ATOM 132 CG LEU A 12 -1.727 -7.516 -3.933 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.473 -6.876 -4.506 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.970 -6.969 -4.620 1.00 0.00 C ATOM 0 H LEU A 12 -1.507 -11.497 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 12 0.416 -9.421 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.550 -9.281 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.620 -9.451 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.784 -7.269 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.535 -5.793 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.401 -7.244 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.384 -7.131 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.999 -5.885 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.944 -7.227 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.859 -7.403 -4.163 1.00 0.00 H new ATOM 146 N LEU A 13 -1.450 -10.059 -1.064 1.00 0.00 N ATOM 147 CA LEU A 13 -1.608 -9.788 0.360 1.00 0.00 C ATOM 148 C LEU A 13 -0.313 -10.069 1.116 1.00 0.00 C ATOM 149 O LEU A 13 0.217 -9.198 1.805 1.00 0.00 O ATOM 150 CB LEU A 13 -2.743 -10.637 0.937 1.00 0.00 C ATOM 151 CG LEU A 13 -2.816 -10.712 2.463 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.251 -9.376 3.044 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.765 -11.820 2.896 1.00 0.00 C ATOM 0 H LEU A 13 -2.024 -10.826 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.854 -8.733 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.689 -10.243 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.646 -11.650 0.548 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.821 -10.942 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.297 -9.449 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.533 -8.606 2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.235 -9.114 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.805 -11.860 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.762 -11.620 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.409 -12.775 2.511 1.00 0.00 H new ATOM 165 N ARG A 14 0.191 -11.291 0.979 1.00 0.00 N ATOM 166 CA ARG A 14 1.425 -11.688 1.648 1.00 0.00 C ATOM 167 C ARG A 14 2.544 -10.691 1.359 1.00 0.00 C ATOM 168 O ARG A 14 3.122 -10.109 2.276 1.00 0.00 O ATOM 169 CB ARG A 14 1.846 -13.088 1.200 1.00 0.00 C ATOM 170 CG ARG A 14 1.208 -14.204 2.011 1.00 0.00 C ATOM 171 CD ARG A 14 1.958 -15.516 1.840 1.00 0.00 C ATOM 172 NE ARG A 14 3.061 -15.643 2.788 1.00 0.00 N ATOM 173 CZ ARG A 14 2.898 -15.968 4.065 1.00 0.00 C ATOM 174 NH1 ARG A 14 1.684 -16.197 4.546 1.00 0.00 N ATOM 175 NH2 ARG A 14 3.953 -16.063 4.867 1.00 0.00 N ATOM 0 H ARG A 14 -0.236 -12.023 0.411 1.00 0.00 H new ATOM 0 HA ARG A 14 1.239 -11.699 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.585 -13.218 0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.930 -13.173 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.193 -13.927 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.171 -14.333 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.267 -16.349 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.345 -15.583 0.823 1.00 0.00 H new ATOM 0 HE ARG A 14 4.009 -15.473 2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.871 -16.124 3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.563 -16.446 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.889 -15.886 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.827 -16.313 5.848 1.00 0.00 H new ATOM 189 N TRP A 15 2.844 -10.502 0.079 1.00 0.00 N ATOM 190 CA TRP A 15 3.895 -9.578 -0.331 1.00 0.00 C ATOM 191 C TRP A 15 3.733 -8.229 0.362 1.00 0.00 C ATOM 192 O TRP A 15 4.717 -7.609 0.768 1.00 0.00 O ATOM 193 CB TRP A 15 3.874 -9.390 -1.849 1.00 0.00 C ATOM 194 CG TRP A 15 4.882 -8.395 -2.338 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.197 -8.632 -2.622 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.657 -7.006 -2.600 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.803 -7.473 -3.044 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.880 -6.461 -3.041 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.543 -6.168 -2.507 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.016 -5.118 -3.384 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.679 -4.836 -2.849 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.908 -4.322 -3.284 1.00 0.00 C ATOM 0 H TRP A 15 2.375 -10.976 -0.692 1.00 0.00 H new ATOM 0 HA TRP A 15 4.854 -10.004 -0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.060 -10.351 -2.329 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.878 -9.068 -2.154 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.688 -9.589 -2.529 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.782 -7.381 -3.316 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.591 -6.555 -2.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.963 -4.719 -3.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.824 -4.180 -2.780 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.982 -3.277 -3.545 1.00 0.00 H new ATOM 213 N CYS A 16 2.490 -7.782 0.496 1.00 0.00 N ATOM 214 CA CYS A 16 2.201 -6.506 1.141 1.00 0.00 C ATOM 215 C CYS A 16 2.461 -6.585 2.642 1.00 0.00 C ATOM 216 O CYS A 16 3.028 -5.665 3.232 1.00 0.00 O ATOM 217 CB CYS A 16 0.751 -6.096 0.882 1.00 0.00 C ATOM 218 SG CYS A 16 0.420 -5.588 -0.821 1.00 0.00 S ATOM 0 H CYS A 16 1.666 -8.284 0.167 1.00 0.00 H new ATOM 0 HA CYS A 16 2.864 -5.753 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.098 -6.932 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.492 -5.276 1.551 1.00 0.00 H new ATOM 0 HG CYS A 16 0.175 -6.638 -1.547 1.00 0.00 H new ATOM 224 N GLN A 17 2.041 -7.687 3.253 1.00 0.00 N ATOM 225 CA GLN A 17 2.226 -7.883 4.686 1.00 0.00 C ATOM 226 C GLN A 17 3.695 -7.734 5.071 1.00 0.00 C ATOM 227 O GLN A 17 4.017 -7.169 6.115 1.00 0.00 O ATOM 228 CB GLN A 17 1.715 -9.264 5.103 1.00 0.00 C ATOM 229 CG GLN A 17 0.209 -9.322 5.298 1.00 0.00 C ATOM 230 CD GLN A 17 -0.276 -10.703 5.689 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.442 -11.693 5.539 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.501 -10.779 6.195 1.00 0.00 N ATOM 0 H GLN A 17 1.570 -8.458 2.779 1.00 0.00 H new ATOM 0 HA GLN A 17 1.653 -7.118 5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.003 -9.993 4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.205 -9.558 6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.082 -8.608 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.285 -9.015 4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.062 -9.934 6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.881 -11.683 6.477 1.00 0.00 H new ATOM 241 N GLU A 18 4.579 -8.246 4.220 1.00 0.00 N ATOM 242 CA GLU A 18 6.014 -8.170 4.473 1.00 0.00 C ATOM 243 C GLU A 18 6.486 -6.719 4.495 1.00 0.00 C ATOM 244 O GLU A 18 7.270 -6.325 5.357 1.00 0.00 O ATOM 245 CB GLU A 18 6.784 -8.952 3.408 1.00 0.00 C ATOM 246 CG GLU A 18 6.439 -10.432 3.371 1.00 0.00 C ATOM 247 CD GLU A 18 6.776 -11.076 2.040 1.00 0.00 C ATOM 248 OE1 GLU A 18 7.964 -11.054 1.654 1.00 0.00 O ATOM 249 OE2 GLU A 18 5.852 -11.601 1.383 1.00 0.00 O ATOM 0 H GLU A 18 4.328 -8.717 3.351 1.00 0.00 H new ATOM 0 HA GLU A 18 6.209 -8.612 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.580 -8.515 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.853 -8.841 3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.978 -10.947 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.375 -10.559 3.573 1.00 0.00 H new ATOM 256 N GLN A 19 6.002 -5.931 3.540 1.00 0.00 N ATOM 257 CA GLN A 19 6.376 -4.525 3.449 1.00 0.00 C ATOM 258 C GLN A 19 5.721 -3.714 4.563 1.00 0.00 C ATOM 259 O GLN A 19 6.403 -3.086 5.373 1.00 0.00 O ATOM 260 CB GLN A 19 5.977 -3.956 2.086 1.00 0.00 C ATOM 261 CG GLN A 19 6.424 -4.816 0.914 1.00 0.00 C ATOM 262 CD GLN A 19 7.876 -5.237 1.020 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.729 -4.464 1.458 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.166 -6.469 0.619 1.00 0.00 N ATOM 0 H GLN A 19 5.351 -6.242 2.819 1.00 0.00 H new ATOM 0 HA GLN A 19 7.458 -4.455 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.893 -3.844 2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.404 -2.959 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.795 -5.705 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.277 -4.264 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.428 -7.076 0.263 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.127 -6.808 0.667 1.00 0.00 H new ATOM 273 N THR A 20 4.392 -3.731 4.596 1.00 0.00 N ATOM 274 CA THR A 20 3.644 -2.996 5.610 1.00 0.00 C ATOM 275 C THR A 20 4.082 -3.395 7.014 1.00 0.00 C ATOM 276 O THR A 20 3.838 -2.672 7.979 1.00 0.00 O ATOM 277 CB THR A 20 2.128 -3.234 5.471 1.00 0.00 C ATOM 278 OG1 THR A 20 1.843 -4.635 5.547 1.00 0.00 O ATOM 279 CG2 THR A 20 1.612 -2.677 4.152 1.00 0.00 C ATOM 0 H THR A 20 3.812 -4.245 3.933 1.00 0.00 H new ATOM 0 HA THR A 20 3.855 -1.938 5.454 1.00 0.00 H new ATOM 0 HB THR A 20 1.625 -2.717 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.223 -5.089 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.540 -2.857 4.076 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.804 -1.605 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.122 -3.170 3.324 1.00 0.00 H new ATOM 287 N ALA A 21 4.732 -4.549 7.120 1.00 0.00 N ATOM 288 CA ALA A 21 5.209 -5.042 8.407 1.00 0.00 C ATOM 289 C ALA A 21 6.145 -4.036 9.068 1.00 0.00 C ATOM 290 O ALA A 21 6.518 -3.031 8.464 1.00 0.00 O ATOM 291 CB ALA A 21 5.907 -6.382 8.233 1.00 0.00 C ATOM 0 H ALA A 21 4.941 -5.160 6.331 1.00 0.00 H new ATOM 0 HA ALA A 21 4.346 -5.177 9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.258 -6.738 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.208 -7.105 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.756 -6.265 7.560 1.00 0.00 H new ATOM 297 N GLY A 22 6.522 -4.314 10.313 1.00 0.00 N ATOM 298 CA GLY A 22 7.411 -3.423 11.035 1.00 0.00 C ATOM 299 C GLY A 22 6.710 -2.168 11.517 1.00 0.00 C ATOM 300 O GLY A 22 6.738 -1.852 12.706 1.00 0.00 O ATOM 0 H GLY A 22 6.227 -5.140 10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.833 -3.951 11.890 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.244 -3.145 10.389 1.00 0.00 H new ATOM 304 N TYR A 23 6.080 -1.453 10.592 1.00 0.00 N ATOM 305 CA TYR A 23 5.371 -0.223 10.929 1.00 0.00 C ATOM 306 C TYR A 23 4.433 -0.442 12.111 1.00 0.00 C ATOM 307 O TYR A 23 3.598 -1.347 12.116 1.00 0.00 O ATOM 308 CB TYR A 23 4.579 0.280 9.721 1.00 0.00 C ATOM 309 CG TYR A 23 4.257 1.756 9.781 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.577 2.295 10.866 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.633 2.613 8.754 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.279 3.643 10.926 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.341 3.961 8.805 1.00 0.00 C ATOM 314 CZ TYR A 23 3.663 4.471 9.892 1.00 0.00 C ATOM 315 OH TYR A 23 3.370 5.815 9.948 1.00 0.00 O ATOM 0 H TYR A 23 6.045 -1.703 9.604 1.00 0.00 H new ATOM 0 HA TYR A 23 6.110 0.528 11.209 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.148 0.077 8.814 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.649 -0.284 9.646 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.276 1.649 11.677 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.163 2.217 7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.749 4.045 11.777 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.642 4.613 7.998 1.00 0.00 H new ATOM 0 HH TYR A 23 3.348 6.106 10.883 1.00 0.00 H new ATOM 325 N PRO A 24 4.570 0.408 13.140 1.00 0.00 N ATOM 326 CA PRO A 24 3.744 0.331 14.346 1.00 0.00 C ATOM 327 C PRO A 24 2.295 0.729 14.084 1.00 0.00 C ATOM 328 O PRO A 24 2.023 1.816 13.577 1.00 0.00 O ATOM 329 CB PRO A 24 4.409 1.329 15.297 1.00 0.00 C ATOM 330 CG PRO A 24 5.102 2.298 14.404 1.00 0.00 C ATOM 331 CD PRO A 24 5.544 1.511 13.201 1.00 0.00 C ATOM 0 HA PRO A 24 3.693 -0.684 14.740 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.672 1.828 15.926 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.113 0.832 15.964 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.434 3.109 14.115 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.955 2.752 14.908 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.523 2.116 12.295 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.563 1.142 13.314 1.00 0.00 H new ATOM 339 N GLY A 25 1.369 -0.158 14.434 1.00 0.00 N ATOM 340 CA GLY A 25 -0.040 0.120 14.228 1.00 0.00 C ATOM 341 C GLY A 25 -0.576 -0.510 12.958 1.00 0.00 C ATOM 342 O GLY A 25 -1.728 -0.943 12.909 1.00 0.00 O ATOM 0 H GLY A 25 1.570 -1.064 14.857 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.609 -0.250 15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.192 1.199 14.187 1.00 0.00 H new ATOM 346 N VAL A 26 0.260 -0.563 11.927 1.00 0.00 N ATOM 347 CA VAL A 26 -0.136 -1.144 10.650 1.00 0.00 C ATOM 348 C VAL A 26 -0.317 -2.654 10.765 1.00 0.00 C ATOM 349 O VAL A 26 0.654 -3.395 10.917 1.00 0.00 O ATOM 350 CB VAL A 26 0.900 -0.845 9.551 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.479 -1.479 8.233 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.090 0.656 9.392 1.00 0.00 C ATOM 0 H VAL A 26 1.217 -0.210 11.951 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.087 -0.687 10.376 1.00 0.00 H new ATOM 0 HB VAL A 26 1.854 -1.280 9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.223 -1.257 7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.398 -2.559 8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.487 -1.076 7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.826 0.849 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.141 1.116 9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.440 1.080 10.333 1.00 0.00 H new ATOM 362 N HIS A 27 -1.566 -3.102 10.693 1.00 0.00 N ATOM 363 CA HIS A 27 -1.874 -4.525 10.790 1.00 0.00 C ATOM 364 C HIS A 27 -2.695 -4.985 9.589 1.00 0.00 C ATOM 365 O HIS A 27 -3.907 -5.173 9.688 1.00 0.00 O ATOM 366 CB HIS A 27 -2.634 -4.818 12.083 1.00 0.00 C ATOM 367 CG HIS A 27 -3.130 -6.228 12.181 1.00 0.00 C ATOM 368 ND1 HIS A 27 -4.143 -6.612 13.034 1.00 0.00 N ATOM 369 CD2 HIS A 27 -2.745 -7.349 11.527 1.00 0.00 C ATOM 370 CE1 HIS A 27 -4.360 -7.908 12.900 1.00 0.00 C ATOM 371 NE2 HIS A 27 -3.525 -8.379 11.992 1.00 0.00 N ATOM 0 H HIS A 27 -2.381 -2.501 10.568 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.933 -5.075 10.799 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.983 -4.611 12.932 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.482 -4.137 12.158 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.969 -7.420 10.779 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.096 -8.485 13.441 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.469 -9.350 11.686 1.00 0.00 H new ATOM 380 N VAL A 28 -2.025 -5.166 8.454 1.00 0.00 N ATOM 381 CA VAL A 28 -2.692 -5.604 7.234 1.00 0.00 C ATOM 382 C VAL A 28 -3.071 -7.078 7.316 1.00 0.00 C ATOM 383 O VAL A 28 -2.232 -7.958 7.125 1.00 0.00 O ATOM 384 CB VAL A 28 -1.801 -5.382 5.997 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.448 -5.985 4.759 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.528 -3.899 5.798 1.00 0.00 C ATOM 0 H VAL A 28 -1.021 -5.016 8.355 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.596 -5.004 7.133 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.848 -5.885 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.805 -5.819 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.588 -7.056 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.415 -5.513 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.897 -3.760 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.471 -3.371 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.020 -3.501 6.677 1.00 0.00 H new ATOM 396 N SER A 29 -4.343 -7.341 7.599 1.00 0.00 N ATOM 397 CA SER A 29 -4.835 -8.710 7.708 1.00 0.00 C ATOM 398 C SER A 29 -5.631 -9.102 6.467 1.00 0.00 C ATOM 399 O SER A 29 -5.680 -10.274 6.092 1.00 0.00 O ATOM 400 CB SER A 29 -5.706 -8.863 8.956 1.00 0.00 C ATOM 401 OG SER A 29 -6.076 -10.216 9.158 1.00 0.00 O ATOM 0 H SER A 29 -5.052 -6.624 7.757 1.00 0.00 H new ATOM 0 HA SER A 29 -3.974 -9.374 7.790 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.164 -8.497 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.601 -8.249 8.856 1.00 0.00 H new ATOM 0 HG SER A 29 -6.631 -10.287 9.963 1.00 0.00 H new ATOM 407 N ASP A 30 -6.252 -8.114 5.835 1.00 0.00 N ATOM 408 CA ASP A 30 -7.046 -8.354 4.635 1.00 0.00 C ATOM 409 C ASP A 30 -6.965 -7.164 3.683 1.00 0.00 C ATOM 410 O ASP A 30 -6.233 -6.206 3.931 1.00 0.00 O ATOM 411 CB ASP A 30 -8.505 -8.626 5.008 1.00 0.00 C ATOM 412 CG ASP A 30 -9.201 -9.523 4.004 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.643 -10.592 3.676 1.00 0.00 O ATOM 414 OD2 ASP A 30 -10.304 -9.158 3.548 1.00 0.00 O ATOM 0 H ASP A 30 -6.222 -7.139 6.133 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.639 -9.230 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.545 -9.089 5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.041 -7.680 5.079 1.00 0.00 H new ATOM 419 N LEU A 31 -7.721 -7.234 2.593 1.00 0.00 N ATOM 420 CA LEU A 31 -7.734 -6.163 1.601 1.00 0.00 C ATOM 421 C LEU A 31 -9.102 -5.490 1.546 1.00 0.00 C ATOM 422 O LEU A 31 -9.555 -5.069 0.481 1.00 0.00 O ATOM 423 CB LEU A 31 -7.367 -6.713 0.222 1.00 0.00 C ATOM 424 CG LEU A 31 -5.876 -6.739 -0.115 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.145 -7.727 0.781 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.667 -7.090 -1.581 1.00 0.00 C ATOM 0 H LEU A 31 -8.333 -8.020 2.373 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.994 -5.419 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.755 -7.729 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.879 -6.117 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.465 -5.745 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.085 -7.733 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.267 -7.432 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.558 -8.725 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.600 -7.104 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.093 -8.073 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.158 -6.345 -2.207 1.00 0.00 H new ATOM 438 N SER A 32 -9.754 -5.390 2.700 1.00 0.00 N ATOM 439 CA SER A 32 -11.070 -4.769 2.783 1.00 0.00 C ATOM 440 C SER A 32 -11.007 -3.464 3.571 1.00 0.00 C ATOM 441 O SER A 32 -11.166 -2.379 3.012 1.00 0.00 O ATOM 442 CB SER A 32 -12.069 -5.725 3.437 1.00 0.00 C ATOM 443 OG SER A 32 -13.403 -5.310 3.200 1.00 0.00 O ATOM 0 H SER A 32 -9.392 -5.731 3.590 1.00 0.00 H new ATOM 0 HA SER A 32 -11.403 -4.545 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.923 -6.732 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.884 -5.770 4.510 1.00 0.00 H new ATOM 0 HG SER A 32 -14.022 -5.939 3.627 1.00 0.00 H new ATOM 449 N SER A 33 -10.774 -3.578 4.875 1.00 0.00 N ATOM 450 CA SER A 33 -10.694 -2.408 5.742 1.00 0.00 C ATOM 451 C SER A 33 -9.273 -2.218 6.265 1.00 0.00 C ATOM 452 O SER A 33 -8.844 -1.095 6.533 1.00 0.00 O ATOM 453 CB SER A 33 -11.666 -2.550 6.915 1.00 0.00 C ATOM 454 OG SER A 33 -11.593 -1.426 7.776 1.00 0.00 O ATOM 0 H SER A 33 -10.637 -4.468 5.354 1.00 0.00 H new ATOM 0 HA SER A 33 -10.968 -1.531 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.683 -2.658 6.538 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.436 -3.457 7.475 1.00 0.00 H new ATOM 0 HG SER A 33 -12.224 -1.540 8.517 1.00 0.00 H new ATOM 460 N SER A 34 -8.548 -3.322 6.409 1.00 0.00 N ATOM 461 CA SER A 34 -7.177 -3.278 6.904 1.00 0.00 C ATOM 462 C SER A 34 -6.399 -2.140 6.248 1.00 0.00 C ATOM 463 O SER A 34 -5.474 -1.586 6.839 1.00 0.00 O ATOM 464 CB SER A 34 -6.474 -4.611 6.638 1.00 0.00 C ATOM 465 OG SER A 34 -6.658 -5.509 7.719 1.00 0.00 O ATOM 0 H SER A 34 -8.887 -4.259 6.190 1.00 0.00 H new ATOM 0 HA SER A 34 -7.210 -3.100 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.864 -5.055 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.409 -4.439 6.481 1.00 0.00 H new ATOM 0 HG SER A 34 -7.370 -6.145 7.498 1.00 0.00 H new ATOM 471 N TRP A 35 -6.783 -1.799 5.024 1.00 0.00 N ATOM 472 CA TRP A 35 -6.122 -0.728 4.286 1.00 0.00 C ATOM 473 C TRP A 35 -6.893 0.580 4.421 1.00 0.00 C ATOM 474 O TRP A 35 -6.308 1.663 4.378 1.00 0.00 O ATOM 475 CB TRP A 35 -5.987 -1.105 2.810 1.00 0.00 C ATOM 476 CG TRP A 35 -5.150 -2.328 2.584 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.504 -3.623 2.839 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.819 -2.371 2.058 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.473 -4.466 2.504 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.429 -3.724 2.022 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.920 -1.398 1.613 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.178 -4.125 1.559 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.679 -1.797 1.154 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.318 -3.152 1.129 1.00 0.00 C ATOM 0 H TRP A 35 -7.548 -2.248 4.521 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.127 -0.588 4.710 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.980 -1.271 2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.548 -0.268 2.267 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.455 -3.937 3.244 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.484 -5.482 2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.190 -0.352 1.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.897 -5.168 1.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.976 -1.053 0.809 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.342 -3.433 0.763 1.00 0.00 H new ATOM 495 N ALA A 36 -8.208 0.474 4.583 1.00 0.00 N ATOM 496 CA ALA A 36 -9.058 1.650 4.726 1.00 0.00 C ATOM 497 C ALA A 36 -8.437 2.662 5.682 1.00 0.00 C ATOM 498 O ALA A 36 -8.421 3.862 5.407 1.00 0.00 O ATOM 499 CB ALA A 36 -10.443 1.245 5.208 1.00 0.00 C ATOM 0 H ALA A 36 -8.708 -0.414 4.618 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.150 2.123 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.067 2.133 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.895 0.565 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.361 0.746 6.174 1.00 0.00 H new ATOM 505 N ASP A 37 -7.929 2.171 6.807 1.00 0.00 N ATOM 506 CA ASP A 37 -7.307 3.033 7.805 1.00 0.00 C ATOM 507 C ASP A 37 -6.480 4.128 7.139 1.00 0.00 C ATOM 508 O ASP A 37 -6.589 5.303 7.487 1.00 0.00 O ATOM 509 CB ASP A 37 -6.424 2.209 8.744 1.00 0.00 C ATOM 510 CG ASP A 37 -7.100 0.932 9.202 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.326 0.962 9.444 1.00 0.00 O ATOM 512 OD2 ASP A 37 -6.404 -0.098 9.317 1.00 0.00 O ATOM 0 H ASP A 37 -7.936 1.181 7.051 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.100 3.504 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.491 1.961 8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.163 2.811 9.614 1.00 0.00 H new ATOM 517 N GLY A 38 -5.650 3.733 6.178 1.00 0.00 N ATOM 518 CA GLY A 38 -4.815 4.692 5.479 1.00 0.00 C ATOM 519 C GLY A 38 -3.336 4.433 5.686 1.00 0.00 C ATOM 520 O GLY A 38 -2.549 4.485 4.740 1.00 0.00 O ATOM 0 H GLY A 38 -5.541 2.766 5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.041 4.657 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.056 5.698 5.823 1.00 0.00 H new ATOM 524 N LEU A 39 -2.954 4.157 6.929 1.00 0.00 N ATOM 525 CA LEU A 39 -1.559 3.891 7.260 1.00 0.00 C ATOM 526 C LEU A 39 -0.990 2.786 6.376 1.00 0.00 C ATOM 527 O LEU A 39 0.099 2.922 5.819 1.00 0.00 O ATOM 528 CB LEU A 39 -1.429 3.498 8.733 1.00 0.00 C ATOM 529 CG LEU A 39 -1.197 4.647 9.716 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.402 4.174 11.146 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.199 5.226 9.538 1.00 0.00 C ATOM 0 H LEU A 39 -3.592 4.112 7.724 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.990 4.803 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.336 2.970 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.604 2.792 8.829 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.924 5.432 9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.233 5.004 11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.421 3.807 11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.699 3.371 11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.347 6.042 10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.941 4.449 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.310 5.602 8.521 1.00 0.00 H new ATOM 543 N ALA A 40 -1.738 1.695 6.248 1.00 0.00 N ATOM 544 CA ALA A 40 -1.310 0.568 5.428 1.00 0.00 C ATOM 545 C ALA A 40 -0.516 1.042 4.215 1.00 0.00 C ATOM 546 O ALA A 40 0.676 0.758 4.092 1.00 0.00 O ATOM 547 CB ALA A 40 -2.515 -0.249 4.985 1.00 0.00 C ATOM 0 H ALA A 40 -2.643 1.568 6.701 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.658 -0.063 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.181 -1.087 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.041 -0.626 5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.187 0.381 4.402 1.00 0.00 H new ATOM 553 N LEU A 41 -1.183 1.764 3.322 1.00 0.00 N ATOM 554 CA LEU A 41 -0.539 2.277 2.118 1.00 0.00 C ATOM 555 C LEU A 41 0.689 3.110 2.470 1.00 0.00 C ATOM 556 O LEU A 41 1.720 3.027 1.803 1.00 0.00 O ATOM 557 CB LEU A 41 -1.526 3.119 1.307 1.00 0.00 C ATOM 558 CG LEU A 41 -2.346 2.368 0.258 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.495 3.232 -0.239 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.461 1.935 -0.901 1.00 0.00 C ATOM 0 H LEU A 41 -2.170 2.008 3.409 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.218 1.426 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.215 3.602 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.970 3.911 0.806 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.764 1.475 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.068 2.681 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.144 3.491 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.098 4.143 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.062 1.402 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.013 2.814 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.673 1.279 -0.532 1.00 0.00 H new ATOM 572 N CYS A 42 0.572 3.911 3.523 1.00 0.00 N ATOM 573 CA CYS A 42 1.674 4.758 3.966 1.00 0.00 C ATOM 574 C CYS A 42 2.914 3.923 4.270 1.00 0.00 C ATOM 575 O CYS A 42 4.019 4.259 3.845 1.00 0.00 O ATOM 576 CB CYS A 42 1.265 5.555 5.206 1.00 0.00 C ATOM 577 SG CYS A 42 -0.345 6.365 5.065 1.00 0.00 S ATOM 0 H CYS A 42 -0.275 3.992 4.086 1.00 0.00 H new ATOM 0 HA CYS A 42 1.914 5.451 3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.249 4.885 6.066 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.024 6.311 5.405 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.279 5.464 4.985 1.00 0.00 H new ATOM 583 N ALA A 43 2.723 2.836 5.009 1.00 0.00 N ATOM 584 CA ALA A 43 3.825 1.953 5.368 1.00 0.00 C ATOM 585 C ALA A 43 4.480 1.358 4.126 1.00 0.00 C ATOM 586 O ALA A 43 5.683 1.513 3.911 1.00 0.00 O ATOM 587 CB ALA A 43 3.337 0.846 6.291 1.00 0.00 C ATOM 0 H ALA A 43 1.815 2.546 5.371 1.00 0.00 H new ATOM 0 HA ALA A 43 4.574 2.545 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.171 0.194 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.923 1.285 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.566 0.264 5.786 1.00 0.00 H new ATOM 593 N LEU A 44 3.682 0.675 3.313 1.00 0.00 N ATOM 594 CA LEU A 44 4.185 0.055 2.092 1.00 0.00 C ATOM 595 C LEU A 44 5.058 1.029 1.306 1.00 0.00 C ATOM 596 O LEU A 44 6.156 0.682 0.872 1.00 0.00 O ATOM 597 CB LEU A 44 3.020 -0.420 1.221 1.00 0.00 C ATOM 598 CG LEU A 44 3.361 -0.754 -0.232 1.00 0.00 C ATOM 599 CD1 LEU A 44 4.001 -2.131 -0.327 1.00 0.00 C ATOM 600 CD2 LEU A 44 2.115 -0.682 -1.103 1.00 0.00 C ATOM 0 H LEU A 44 2.685 0.536 3.477 1.00 0.00 H new ATOM 0 HA LEU A 44 4.794 -0.804 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.584 -1.305 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.251 0.353 1.224 1.00 0.00 H new ATOM 0 HG LEU A 44 4.077 -0.017 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.237 -2.352 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.917 -2.148 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.309 -2.881 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.377 -0.923 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.376 -1.396 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.699 0.324 -1.060 1.00 0.00 H new ATOM 612 N VAL A 45 4.562 2.249 1.128 1.00 0.00 N ATOM 613 CA VAL A 45 5.298 3.274 0.399 1.00 0.00 C ATOM 614 C VAL A 45 6.633 3.576 1.070 1.00 0.00 C ATOM 615 O VAL A 45 7.695 3.397 0.473 1.00 0.00 O ATOM 616 CB VAL A 45 4.485 4.578 0.289 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.277 5.639 -0.460 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.150 4.317 -0.393 1.00 0.00 C ATOM 0 H VAL A 45 3.653 2.551 1.479 1.00 0.00 H new ATOM 0 HA VAL A 45 5.479 2.881 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 45 4.287 4.949 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.687 6.553 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.205 5.845 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.507 5.280 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.589 5.249 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.324 3.923 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.580 3.592 0.188 1.00 0.00 H new ATOM 628 N TYR A 46 6.572 4.034 2.316 1.00 0.00 N ATOM 629 CA TYR A 46 7.776 4.362 3.069 1.00 0.00 C ATOM 630 C TYR A 46 8.826 3.264 2.925 1.00 0.00 C ATOM 631 O TYR A 46 9.951 3.519 2.496 1.00 0.00 O ATOM 632 CB TYR A 46 7.438 4.569 4.547 1.00 0.00 C ATOM 633 CG TYR A 46 6.654 5.834 4.817 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.146 7.075 4.433 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.422 5.786 5.457 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.432 8.233 4.678 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.701 6.938 5.705 1.00 0.00 C ATOM 638 CZ TYR A 46 5.211 8.159 5.315 1.00 0.00 C ATOM 639 OH TYR A 46 4.497 9.309 5.561 1.00 0.00 O ATOM 0 H TYR A 46 5.701 4.186 2.825 1.00 0.00 H new ATOM 0 HA TYR A 46 8.186 5.287 2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.865 3.713 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.363 4.595 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.102 7.136 3.935 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.021 4.832 5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.828 9.190 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.743 6.883 6.201 1.00 0.00 H new ATOM 0 HH TYR A 46 4.215 9.707 4.711 1.00 0.00 H new ATOM 649 N ARG A 47 8.448 2.043 3.286 1.00 0.00 N ATOM 650 CA ARG A 47 9.355 0.905 3.199 1.00 0.00 C ATOM 651 C ARG A 47 9.985 0.818 1.811 1.00 0.00 C ATOM 652 O ARG A 47 11.206 0.892 1.667 1.00 0.00 O ATOM 653 CB ARG A 47 8.611 -0.394 3.514 1.00 0.00 C ATOM 654 CG ARG A 47 8.661 -0.783 4.983 1.00 0.00 C ATOM 655 CD ARG A 47 7.992 0.264 5.860 1.00 0.00 C ATOM 656 NE ARG A 47 8.935 1.287 6.307 1.00 0.00 N ATOM 657 CZ ARG A 47 9.958 1.039 7.117 1.00 0.00 C ATOM 658 NH1 ARG A 47 10.170 -0.191 7.565 1.00 0.00 N ATOM 659 NH2 ARG A 47 10.773 2.021 7.479 1.00 0.00 N ATOM 0 H ARG A 47 7.519 1.816 3.642 1.00 0.00 H new ATOM 0 HA ARG A 47 10.148 1.048 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.570 -0.289 3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.038 -1.201 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.168 -1.745 5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.699 -0.909 5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.181 0.736 5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.545 -0.221 6.728 1.00 0.00 H new ATOM 0 HE ARG A 47 8.800 2.243 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.547 -0.949 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.956 -0.379 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.614 2.968 7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.558 1.829 8.101 1.00 0.00 H new ATOM 673 N LEU A 48 9.145 0.660 0.795 1.00 0.00 N ATOM 674 CA LEU A 48 9.619 0.563 -0.582 1.00 0.00 C ATOM 675 C LEU A 48 10.846 1.443 -0.799 1.00 0.00 C ATOM 676 O LEU A 48 11.814 1.028 -1.435 1.00 0.00 O ATOM 677 CB LEU A 48 8.509 0.966 -1.554 1.00 0.00 C ATOM 678 CG LEU A 48 7.496 -0.124 -1.905 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.271 0.481 -2.574 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.133 -1.175 -2.803 1.00 0.00 C ATOM 0 H LEU A 48 8.132 0.596 0.898 1.00 0.00 H new ATOM 0 HA LEU A 48 9.900 -0.473 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.970 1.812 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.971 1.315 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 48 7.178 -0.609 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.561 -0.310 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.802 1.195 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.571 0.992 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.398 -1.943 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.480 -0.705 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.978 -1.631 -2.287 1.00 0.00 H new ATOM 692 N GLN A 49 10.798 2.658 -0.263 1.00 0.00 N ATOM 693 CA GLN A 49 11.906 3.596 -0.397 1.00 0.00 C ATOM 694 C GLN A 49 12.224 4.258 0.939 1.00 0.00 C ATOM 695 O GLN A 49 11.534 5.176 1.384 1.00 0.00 O ATOM 696 CB GLN A 49 11.575 4.664 -1.443 1.00 0.00 C ATOM 697 CG GLN A 49 12.758 5.545 -1.807 1.00 0.00 C ATOM 698 CD GLN A 49 12.408 6.592 -2.846 1.00 0.00 C ATOM 699 OE1 GLN A 49 12.771 7.761 -2.713 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.700 6.176 -3.890 1.00 0.00 N ATOM 0 H GLN A 49 10.004 3.016 0.268 1.00 0.00 H new ATOM 0 HA GLN A 49 12.784 3.038 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.205 4.176 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.767 5.292 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.128 6.039 -0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.568 4.921 -2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.421 5.197 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.436 6.835 -4.622 1.00 0.00 H new ATOM 709 N PRO A 50 13.292 3.784 1.596 1.00 0.00 N ATOM 710 CA PRO A 50 13.726 4.316 2.891 1.00 0.00 C ATOM 711 C PRO A 50 14.299 5.724 2.777 1.00 0.00 C ATOM 712 O PRO A 50 14.607 6.364 3.782 1.00 0.00 O ATOM 713 CB PRO A 50 14.811 3.332 3.334 1.00 0.00 C ATOM 714 CG PRO A 50 15.331 2.746 2.067 1.00 0.00 C ATOM 715 CD PRO A 50 14.161 2.692 1.125 1.00 0.00 C ATOM 0 HA PRO A 50 12.897 4.403 3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.601 3.837 3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.403 2.562 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 50 16.135 3.356 1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.741 1.751 2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.471 2.843 0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.654 1.728 1.169 1.00 0.00 H new ATOM 723 N GLY A 51 14.438 6.204 1.545 1.00 0.00 N ATOM 724 CA GLY A 51 14.974 7.534 1.323 1.00 0.00 C ATOM 725 C GLY A 51 13.929 8.617 1.498 1.00 0.00 C ATOM 726 O GLY A 51 14.231 9.712 1.976 1.00 0.00 O ATOM 0 H GLY A 51 14.189 5.695 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.796 7.711 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.388 7.592 0.316 1.00 0.00 H new ATOM 730 N LEU A 52 12.695 8.314 1.111 1.00 0.00 N ATOM 731 CA LEU A 52 11.600 9.271 1.225 1.00 0.00 C ATOM 732 C LEU A 52 11.343 9.631 2.685 1.00 0.00 C ATOM 733 O LEU A 52 11.615 8.840 3.589 1.00 0.00 O ATOM 734 CB LEU A 52 10.327 8.698 0.599 1.00 0.00 C ATOM 735 CG LEU A 52 10.183 8.879 -0.912 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.417 7.713 -1.519 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.491 10.197 -1.227 1.00 0.00 C ATOM 0 H LEU A 52 12.427 7.413 0.715 1.00 0.00 H new ATOM 0 HA LEU A 52 11.885 10.177 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.284 7.632 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.467 9.161 1.084 1.00 0.00 H new ATOM 0 HG LEU A 52 11.180 8.900 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.324 7.859 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.953 6.784 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.424 7.659 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.397 10.309 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.500 10.205 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.080 11.022 -0.826 1.00 0.00 H new ATOM 749 N LEU A 53 10.816 10.830 2.909 1.00 0.00 N ATOM 750 CA LEU A 53 10.520 11.296 4.260 1.00 0.00 C ATOM 751 C LEU A 53 9.813 10.211 5.067 1.00 0.00 C ATOM 752 O LEU A 53 9.433 9.172 4.528 1.00 0.00 O ATOM 753 CB LEU A 53 9.652 12.554 4.208 1.00 0.00 C ATOM 754 CG LEU A 53 8.226 12.366 3.691 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.202 11.375 2.537 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.309 11.902 4.814 1.00 0.00 C ATOM 0 H LEU A 53 10.585 11.497 2.173 1.00 0.00 H new ATOM 0 HA LEU A 53 11.464 11.533 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.600 12.977 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.151 13.290 3.577 1.00 0.00 H new ATOM 0 HG LEU A 53 7.863 13.326 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.178 11.254 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.826 11.747 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.584 10.412 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.298 11.773 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.670 10.953 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.302 12.647 5.609 1.00 0.00 H new ATOM 768 N GLU A 54 9.641 10.461 6.361 1.00 0.00 N ATOM 769 CA GLU A 54 8.979 9.505 7.242 1.00 0.00 C ATOM 770 C GLU A 54 7.605 10.017 7.664 1.00 0.00 C ATOM 771 O GLU A 54 7.301 11.206 7.567 1.00 0.00 O ATOM 772 CB GLU A 54 9.839 9.239 8.479 1.00 0.00 C ATOM 773 CG GLU A 54 10.813 8.086 8.307 1.00 0.00 C ATOM 774 CD GLU A 54 11.826 8.005 9.433 1.00 0.00 C ATOM 775 OE1 GLU A 54 11.463 8.334 10.582 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.981 7.612 9.165 1.00 0.00 O ATOM 0 H GLU A 54 9.950 11.316 6.823 1.00 0.00 H new ATOM 0 HA GLU A 54 8.847 8.573 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.398 10.142 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.186 9.029 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.257 7.150 8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.338 8.197 7.358 1.00 0.00 H new ATOM 783 N PRO A 55 6.754 9.097 8.142 1.00 0.00 N ATOM 784 CA PRO A 55 5.398 9.430 8.588 1.00 0.00 C ATOM 785 C PRO A 55 5.395 10.245 9.878 1.00 0.00 C ATOM 786 O PRO A 55 4.345 10.472 10.478 1.00 0.00 O ATOM 787 CB PRO A 55 4.754 8.061 8.820 1.00 0.00 C ATOM 788 CG PRO A 55 5.897 7.148 9.104 1.00 0.00 C ATOM 789 CD PRO A 55 7.049 7.662 8.285 1.00 0.00 C ATOM 0 HA PRO A 55 4.870 10.047 7.861 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.053 8.089 9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.194 7.733 7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.142 7.148 10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.653 6.121 8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.003 7.496 8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.106 7.165 7.316 1.00 0.00 H new ATOM 797 N SER A 56 6.577 10.683 10.298 1.00 0.00 N ATOM 798 CA SER A 56 6.712 11.471 11.517 1.00 0.00 C ATOM 799 C SER A 56 5.476 12.336 11.744 1.00 0.00 C ATOM 800 O SER A 56 5.047 12.536 12.879 1.00 0.00 O ATOM 801 CB SER A 56 7.960 12.353 11.445 1.00 0.00 C ATOM 802 OG SER A 56 8.407 12.710 12.741 1.00 0.00 O ATOM 0 H SER A 56 7.456 10.505 9.812 1.00 0.00 H new ATOM 0 HA SER A 56 6.811 10.782 12.356 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.753 11.824 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.740 13.254 10.872 1.00 0.00 H new ATOM 0 HG SER A 56 9.206 13.272 12.668 1.00 0.00 H new ATOM 808 N GLU A 57 4.909 12.844 10.654 1.00 0.00 N ATOM 809 CA GLU A 57 3.723 13.688 10.735 1.00 0.00 C ATOM 810 C GLU A 57 2.451 12.848 10.661 1.00 0.00 C ATOM 811 O GLU A 57 1.484 13.101 11.381 1.00 0.00 O ATOM 812 CB GLU A 57 3.729 14.724 9.607 1.00 0.00 C ATOM 813 CG GLU A 57 4.982 15.583 9.577 1.00 0.00 C ATOM 814 CD GLU A 57 5.035 16.578 10.720 1.00 0.00 C ATOM 815 OE1 GLU A 57 3.967 16.891 11.285 1.00 0.00 O ATOM 816 OE2 GLU A 57 6.146 17.043 11.050 1.00 0.00 O ATOM 0 H GLU A 57 5.251 12.686 9.706 1.00 0.00 H new ATOM 0 HA GLU A 57 3.741 14.205 11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.629 14.209 8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.858 15.370 9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.860 14.939 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.027 16.121 8.630 1.00 0.00 H new ATOM 823 N LEU A 58 2.460 11.849 9.786 1.00 0.00 N ATOM 824 CA LEU A 58 1.307 10.971 9.617 1.00 0.00 C ATOM 825 C LEU A 58 0.889 10.358 10.950 1.00 0.00 C ATOM 826 O LEU A 58 -0.259 9.952 11.124 1.00 0.00 O ATOM 827 CB LEU A 58 1.628 9.863 8.613 1.00 0.00 C ATOM 828 CG LEU A 58 1.315 10.172 7.149 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.238 11.259 6.622 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.432 8.913 6.300 1.00 0.00 C ATOM 0 H LEU A 58 3.252 11.627 9.183 1.00 0.00 H new ATOM 0 HA LEU A 58 0.479 11.569 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.688 9.623 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.076 8.968 8.901 1.00 0.00 H new ATOM 0 HG LEU A 58 0.289 10.534 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.999 11.465 5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.104 12.167 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.273 10.926 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.206 9.152 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.447 8.520 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.728 8.164 6.661 1.00 0.00 H new ATOM 842 N GLN A 59 1.829 10.298 11.889 1.00 0.00 N ATOM 843 CA GLN A 59 1.556 9.737 13.207 1.00 0.00 C ATOM 844 C GLN A 59 0.343 10.408 13.844 1.00 0.00 C ATOM 845 O GLN A 59 -0.490 9.747 14.463 1.00 0.00 O ATOM 846 CB GLN A 59 2.777 9.897 14.115 1.00 0.00 C ATOM 847 CG GLN A 59 3.822 8.808 13.925 1.00 0.00 C ATOM 848 CD GLN A 59 4.947 8.898 14.936 1.00 0.00 C ATOM 849 OE1 GLN A 59 5.634 9.916 15.030 1.00 0.00 O ATOM 850 NE2 GLN A 59 5.143 7.830 15.701 1.00 0.00 N ATOM 0 H GLN A 59 2.785 10.631 11.761 1.00 0.00 H new ATOM 0 HA GLN A 59 1.339 8.676 13.085 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.236 10.867 13.925 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.449 9.897 15.155 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.343 7.832 14.005 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.236 8.878 12.919 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.550 7.007 15.590 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.886 7.833 16.400 1.00 0.00 H new ATOM 859 N GLY A 60 0.250 11.725 13.687 1.00 0.00 N ATOM 860 CA GLY A 60 -0.864 12.462 14.253 1.00 0.00 C ATOM 861 C GLY A 60 -1.793 13.015 13.190 1.00 0.00 C ATOM 862 O GLY A 60 -2.201 14.176 13.254 1.00 0.00 O ATOM 0 H GLY A 60 0.926 12.294 13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.427 11.808 14.919 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.482 13.283 14.860 1.00 0.00 H new ATOM 866 N LEU A 61 -2.128 12.184 12.209 1.00 0.00 N ATOM 867 CA LEU A 61 -3.013 12.597 11.125 1.00 0.00 C ATOM 868 C LEU A 61 -4.319 11.809 11.160 1.00 0.00 C ATOM 869 O LEU A 61 -4.515 10.950 12.018 1.00 0.00 O ATOM 870 CB LEU A 61 -2.323 12.404 9.773 1.00 0.00 C ATOM 871 CG LEU A 61 -1.511 13.592 9.258 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.768 13.219 7.985 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.417 14.791 9.016 1.00 0.00 C ATOM 0 H LEU A 61 -1.800 11.220 12.142 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.243 13.654 11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.661 11.541 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.084 12.161 9.031 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.777 13.862 10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.195 14.077 7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.091 12.390 8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.485 12.922 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.823 15.628 8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.174 14.532 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.904 15.073 9.949 1.00 0.00 H new ATOM 885 N GLY A 62 -5.209 12.108 10.218 1.00 0.00 N ATOM 886 CA GLY A 62 -6.484 11.416 10.158 1.00 0.00 C ATOM 887 C GLY A 62 -6.445 10.204 9.248 1.00 0.00 C ATOM 888 O GLY A 62 -5.593 10.111 8.364 1.00 0.00 O ATOM 0 H GLY A 62 -5.070 12.816 9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.772 11.103 11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.252 12.105 9.807 1.00 0.00 H new ATOM 892 N ALA A 63 -7.367 9.273 9.466 1.00 0.00 N ATOM 893 CA ALA A 63 -7.433 8.061 8.660 1.00 0.00 C ATOM 894 C ALA A 63 -7.312 8.382 7.174 1.00 0.00 C ATOM 895 O ALA A 63 -6.689 7.638 6.416 1.00 0.00 O ATOM 896 CB ALA A 63 -8.729 7.314 8.936 1.00 0.00 C ATOM 0 H ALA A 63 -8.079 9.335 10.194 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.593 7.424 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.765 6.411 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.775 7.043 9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.577 7.953 8.688 1.00 0.00 H new ATOM 902 N LEU A 64 -7.911 9.495 6.764 1.00 0.00 N ATOM 903 CA LEU A 64 -7.871 9.915 5.368 1.00 0.00 C ATOM 904 C LEU A 64 -6.557 10.620 5.048 1.00 0.00 C ATOM 905 O LEU A 64 -5.849 10.242 4.116 1.00 0.00 O ATOM 906 CB LEU A 64 -9.048 10.843 5.059 1.00 0.00 C ATOM 907 CG LEU A 64 -9.600 10.776 3.635 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.959 9.344 3.269 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.812 11.684 3.489 1.00 0.00 C ATOM 0 H LEU A 64 -8.430 10.122 7.378 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.945 9.024 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.857 10.613 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.738 11.869 5.259 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.826 11.123 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.350 9.316 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.069 8.718 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.715 8.971 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.191 11.623 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.589 11.368 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.525 12.712 3.709 1.00 0.00 H new ATOM 921 N GLU A 65 -6.236 11.646 5.831 1.00 0.00 N ATOM 922 CA GLU A 65 -5.006 12.403 5.632 1.00 0.00 C ATOM 923 C GLU A 65 -3.849 11.474 5.272 1.00 0.00 C ATOM 924 O GLU A 65 -2.992 11.820 4.460 1.00 0.00 O ATOM 925 CB GLU A 65 -4.662 13.201 6.892 1.00 0.00 C ATOM 926 CG GLU A 65 -5.699 14.252 7.248 1.00 0.00 C ATOM 927 CD GLU A 65 -6.176 15.033 6.040 1.00 0.00 C ATOM 928 OE1 GLU A 65 -5.372 15.798 5.470 1.00 0.00 O ATOM 929 OE2 GLU A 65 -7.357 14.877 5.663 1.00 0.00 O ATOM 0 H GLU A 65 -6.811 11.971 6.608 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.165 13.095 4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.553 12.512 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.697 13.688 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.552 13.769 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.276 14.942 7.978 1.00 0.00 H new ATOM 936 N ALA A 66 -3.831 10.295 5.885 1.00 0.00 N ATOM 937 CA ALA A 66 -2.782 9.316 5.629 1.00 0.00 C ATOM 938 C ALA A 66 -2.792 8.869 4.172 1.00 0.00 C ATOM 939 O ALA A 66 -1.873 9.176 3.410 1.00 0.00 O ATOM 940 CB ALA A 66 -2.941 8.118 6.553 1.00 0.00 C ATOM 0 H ALA A 66 -4.532 9.995 6.563 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.821 9.789 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.151 7.395 6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.875 8.447 7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.911 7.652 6.381 1.00 0.00 H new ATOM 946 N THR A 67 -3.835 8.142 3.787 1.00 0.00 N ATOM 947 CA THR A 67 -3.964 7.650 2.422 1.00 0.00 C ATOM 948 C THR A 67 -3.554 8.717 1.413 1.00 0.00 C ATOM 949 O THR A 67 -2.926 8.416 0.398 1.00 0.00 O ATOM 950 CB THR A 67 -5.406 7.202 2.119 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.853 6.280 3.121 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.494 6.549 0.748 1.00 0.00 C ATOM 0 H THR A 67 -4.605 7.880 4.403 1.00 0.00 H new ATOM 0 HA THR A 67 -3.298 6.792 2.332 1.00 0.00 H new ATOM 0 HB THR A 67 -6.046 8.085 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.612 5.764 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.522 6.241 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.181 7.261 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.842 5.676 0.718 1.00 0.00 H new ATOM 960 N ALA A 68 -3.911 9.965 1.699 1.00 0.00 N ATOM 961 CA ALA A 68 -3.578 11.077 0.818 1.00 0.00 C ATOM 962 C ALA A 68 -2.096 11.067 0.458 1.00 0.00 C ATOM 963 O ALA A 68 -1.733 11.062 -0.718 1.00 0.00 O ATOM 964 CB ALA A 68 -3.956 12.398 1.469 1.00 0.00 C ATOM 0 H ALA A 68 -4.431 10.231 2.535 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.150 10.962 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.701 13.220 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.027 12.412 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.410 12.511 2.406 1.00 0.00 H new ATOM 970 N TRP A 69 -1.245 11.063 1.478 1.00 0.00 N ATOM 971 CA TRP A 69 0.198 11.054 1.270 1.00 0.00 C ATOM 972 C TRP A 69 0.618 9.857 0.424 1.00 0.00 C ATOM 973 O TRP A 69 1.142 10.019 -0.679 1.00 0.00 O ATOM 974 CB TRP A 69 0.929 11.026 2.613 1.00 0.00 C ATOM 975 CG TRP A 69 2.416 10.892 2.478 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.322 11.906 2.351 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.167 9.674 2.454 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.592 11.390 2.251 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.524 10.023 2.312 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.827 8.321 2.542 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.536 9.070 2.254 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.832 7.376 2.484 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.174 7.754 2.341 1.00 0.00 C ATOM 0 H TRP A 69 -1.530 11.066 2.457 1.00 0.00 H new ATOM 0 HA TRP A 69 0.468 11.966 0.737 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.702 11.941 3.161 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.549 10.195 3.208 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.077 12.958 2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.447 11.937 2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.796 8.020 2.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.571 9.359 2.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.580 6.328 2.550 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.937 6.991 2.299 1.00 0.00 H new ATOM 994 N ALA A 70 0.386 8.658 0.946 1.00 0.00 N ATOM 995 CA ALA A 70 0.739 7.434 0.237 1.00 0.00 C ATOM 996 C ALA A 70 0.481 7.574 -1.259 1.00 0.00 C ATOM 997 O ALA A 70 1.390 7.411 -2.075 1.00 0.00 O ATOM 998 CB ALA A 70 -0.039 6.255 0.801 1.00 0.00 C ATOM 0 H ALA A 70 -0.045 8.507 1.858 1.00 0.00 H new ATOM 0 HA ALA A 70 1.804 7.254 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.234 5.348 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.198 6.135 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.108 6.436 0.687 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.763 7.875 -1.616 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.141 8.035 -3.015 1.00 0.00 C ATOM 1006 C LEU A 71 -0.279 9.096 -3.693 1.00 0.00 C ATOM 1007 O LEU A 71 -0.006 9.016 -4.892 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.618 8.415 -3.125 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.621 7.334 -2.718 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -4.993 7.944 -2.475 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.697 6.249 -3.781 1.00 0.00 C ATOM 0 H LEU A 71 -1.527 8.013 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.979 7.083 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.793 9.296 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.823 8.703 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.279 6.879 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.694 7.160 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.926 8.683 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.344 8.426 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.415 5.489 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.015 6.688 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.715 5.792 -3.905 1.00 0.00 H new ATOM 1023 N LYS A 72 0.146 10.088 -2.919 1.00 0.00 N ATOM 1024 CA LYS A 72 0.980 11.164 -3.443 1.00 0.00 C ATOM 1025 C LYS A 72 2.413 10.688 -3.654 1.00 0.00 C ATOM 1026 O LYS A 72 2.920 10.691 -4.776 1.00 0.00 O ATOM 1027 CB LYS A 72 0.963 12.360 -2.489 1.00 0.00 C ATOM 1028 CG LYS A 72 1.347 13.673 -3.151 1.00 0.00 C ATOM 1029 CD LYS A 72 1.342 14.822 -2.158 1.00 0.00 C ATOM 1030 CE LYS A 72 2.006 16.062 -2.736 1.00 0.00 C ATOM 1031 NZ LYS A 72 1.251 16.602 -3.901 1.00 0.00 N ATOM 0 H LYS A 72 -0.073 10.170 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 72 0.573 11.470 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.034 12.457 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.648 12.165 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.338 13.581 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.652 13.889 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.315 15.056 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.862 14.520 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.080 16.828 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.023 15.820 -3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.706 17.475 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.246 15.899 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.273 16.809 -3.615 1.00 0.00 H new ATOM 1045 N VAL A 73 3.062 10.279 -2.569 1.00 0.00 N ATOM 1046 CA VAL A 73 4.437 9.798 -2.636 1.00 0.00 C ATOM 1047 C VAL A 73 4.552 8.592 -3.561 1.00 0.00 C ATOM 1048 O VAL A 73 5.640 8.257 -4.028 1.00 0.00 O ATOM 1049 CB VAL A 73 4.965 9.413 -1.242 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.279 8.656 -1.358 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.128 10.651 -0.374 1.00 0.00 C ATOM 0 H VAL A 73 2.658 10.271 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 73 5.040 10.615 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 73 4.237 8.756 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.636 8.393 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.125 7.748 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.018 9.285 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.502 10.360 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.835 11.334 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.164 11.147 -0.263 1.00 0.00 H new ATOM 1061 N ALA A 74 3.422 7.943 -3.823 1.00 0.00 N ATOM 1062 CA ALA A 74 3.397 6.776 -4.696 1.00 0.00 C ATOM 1063 C ALA A 74 3.022 7.165 -6.122 1.00 0.00 C ATOM 1064 O ALA A 74 2.891 6.307 -6.995 1.00 0.00 O ATOM 1065 CB ALA A 74 2.423 5.737 -4.158 1.00 0.00 C ATOM 0 H ALA A 74 2.512 8.206 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 74 4.398 6.346 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.414 4.870 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.734 5.429 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.423 6.167 -4.109 1.00 0.00 H new ATOM 1071 N GLU A 75 2.851 8.463 -6.351 1.00 0.00 N ATOM 1072 CA GLU A 75 2.490 8.964 -7.672 1.00 0.00 C ATOM 1073 C GLU A 75 3.551 9.927 -8.197 1.00 0.00 C ATOM 1074 O GLU A 75 3.735 10.065 -9.405 1.00 0.00 O ATOM 1075 CB GLU A 75 1.131 9.664 -7.623 1.00 0.00 C ATOM 1076 CG GLU A 75 0.550 9.962 -8.995 1.00 0.00 C ATOM 1077 CD GLU A 75 1.007 11.299 -9.543 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.291 12.208 -8.735 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.080 11.439 -10.783 1.00 0.00 O ATOM 0 H GLU A 75 2.957 9.186 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 75 2.428 8.113 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.430 9.040 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.232 10.598 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.839 9.172 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.538 9.951 -8.935 1.00 0.00 H new ATOM 1086 N ASN A 76 4.246 10.590 -7.279 1.00 0.00 N ATOM 1087 CA ASN A 76 5.289 11.541 -7.648 1.00 0.00 C ATOM 1088 C ASN A 76 6.637 10.843 -7.789 1.00 0.00 C ATOM 1089 O ASN A 76 7.358 11.053 -8.764 1.00 0.00 O ATOM 1090 CB ASN A 76 5.385 12.656 -6.604 1.00 0.00 C ATOM 1091 CG ASN A 76 4.241 13.646 -6.707 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.207 14.481 -7.612 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.296 13.557 -5.779 1.00 0.00 N ATOM 0 H ASN A 76 4.106 10.487 -6.274 1.00 0.00 H new ATOM 0 HA ASN A 76 5.024 11.977 -8.611 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.392 12.216 -5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.331 13.184 -6.727 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.501 14.196 -5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.365 12.850 -5.047 1.00 0.00 H new ATOM 1100 N GLU A 77 6.972 10.011 -6.807 1.00 0.00 N ATOM 1101 CA GLU A 77 8.235 9.282 -6.822 1.00 0.00 C ATOM 1102 C GLU A 77 8.060 7.905 -7.457 1.00 0.00 C ATOM 1103 O GLU A 77 8.549 7.650 -8.559 1.00 0.00 O ATOM 1104 CB GLU A 77 8.782 9.135 -5.400 1.00 0.00 C ATOM 1105 CG GLU A 77 9.534 10.360 -4.908 1.00 0.00 C ATOM 1106 CD GLU A 77 10.630 10.013 -3.920 1.00 0.00 C ATOM 1107 OE1 GLU A 77 10.828 8.808 -3.654 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.290 10.944 -3.413 1.00 0.00 O ATOM 0 H GLU A 77 6.387 9.825 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 77 8.947 9.851 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.955 8.930 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.447 8.272 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.970 10.881 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.832 11.049 -4.439 1.00 0.00 H new ATOM 1115 N LEU A 78 7.362 7.020 -6.753 1.00 0.00 N ATOM 1116 CA LEU A 78 7.123 5.669 -7.247 1.00 0.00 C ATOM 1117 C LEU A 78 6.417 5.699 -8.598 1.00 0.00 C ATOM 1118 O LEU A 78 6.544 4.773 -9.398 1.00 0.00 O ATOM 1119 CB LEU A 78 6.288 4.878 -6.239 1.00 0.00 C ATOM 1120 CG LEU A 78 6.670 5.049 -4.768 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.781 4.189 -3.883 1.00 0.00 C ATOM 1122 CD2 LEU A 78 8.136 4.701 -4.556 1.00 0.00 C ATOM 0 H LEU A 78 6.952 7.214 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 78 8.088 5.179 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.243 5.166 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.358 3.820 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 78 6.521 6.093 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.067 4.323 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.740 4.485 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.897 3.141 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.392 4.828 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.310 3.666 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.758 5.360 -5.162 1.00 0.00 H new ATOM 1134 N GLY A 79 5.674 6.772 -8.848 1.00 0.00 N ATOM 1135 CA GLY A 79 4.960 6.905 -10.105 1.00 0.00 C ATOM 1136 C GLY A 79 3.670 6.107 -10.126 1.00 0.00 C ATOM 1137 O GLY A 79 2.857 6.255 -11.038 1.00 0.00 O ATOM 0 H GLY A 79 5.553 7.552 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.736 7.957 -10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.602 6.574 -10.921 1.00 0.00 H new ATOM 1141 N ILE A 80 3.484 5.259 -9.120 1.00 0.00 N ATOM 1142 CA ILE A 80 2.285 4.435 -9.028 1.00 0.00 C ATOM 1143 C ILE A 80 1.029 5.298 -8.972 1.00 0.00 C ATOM 1144 O ILE A 80 0.553 5.653 -7.893 1.00 0.00 O ATOM 1145 CB ILE A 80 2.324 3.523 -7.788 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.480 2.526 -7.896 1.00 0.00 C ATOM 1147 CG2 ILE A 80 1.000 2.791 -7.628 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.477 1.736 -9.186 1.00 0.00 C ATOM 0 H ILE A 80 4.148 5.125 -8.357 1.00 0.00 H new ATOM 0 HA ILE A 80 2.257 3.815 -9.924 1.00 0.00 H new ATOM 0 HB ILE A 80 2.485 4.142 -6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.423 3.065 -7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.432 1.834 -7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.043 2.150 -6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.195 3.516 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.812 2.181 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.324 1.049 -9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.549 1.169 -9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.556 2.419 -10.031 1.00 0.00 H new ATOM 1160 N THR A 81 0.494 5.630 -10.143 1.00 0.00 N ATOM 1161 CA THR A 81 -0.708 6.449 -10.229 1.00 0.00 C ATOM 1162 C THR A 81 -1.824 5.881 -9.360 1.00 0.00 C ATOM 1163 O THR A 81 -2.119 4.686 -9.390 1.00 0.00 O ATOM 1164 CB THR A 81 -1.210 6.562 -11.681 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.165 7.060 -12.523 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.419 7.482 -11.766 1.00 0.00 C ATOM 0 H THR A 81 0.875 5.344 -11.045 1.00 0.00 H new ATOM 0 HA THR A 81 -0.439 7.442 -9.868 1.00 0.00 H new ATOM 0 HB THR A 81 -1.505 5.568 -12.018 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.492 7.127 -13.445 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.755 7.546 -12.801 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.223 7.084 -11.147 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.146 8.476 -11.411 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.463 6.755 -8.568 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.558 6.362 -7.677 1.00 0.00 C ATOM 1176 C PRO A 82 -4.821 5.985 -8.442 1.00 0.00 C ATOM 1177 O PRO A 82 -5.576 6.853 -8.881 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.797 7.618 -6.834 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.316 8.742 -7.685 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.164 8.195 -8.481 1.00 0.00 C ATOM 0 HA PRO A 82 -3.308 5.479 -7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.852 7.733 -6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.250 7.573 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.108 9.101 -8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.001 9.588 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.104 8.653 -9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.210 8.378 -7.986 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.046 4.684 -8.599 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.220 4.191 -9.312 1.00 0.00 C ATOM 1190 C VAL A 83 -7.491 4.433 -8.507 1.00 0.00 C ATOM 1191 O VAL A 83 -8.569 4.627 -9.071 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.099 2.688 -9.619 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.499 1.860 -8.408 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.946 2.322 -10.829 1.00 0.00 C ATOM 0 H VAL A 83 -4.431 3.952 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.276 4.742 -10.251 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.058 2.466 -9.852 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.407 0.800 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.846 2.102 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.532 2.083 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.849 1.256 -11.032 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.991 2.559 -10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.606 2.889 -11.696 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.361 4.421 -7.184 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.500 4.642 -6.300 1.00 0.00 C ATOM 1206 C VAL A 84 -8.327 5.922 -5.490 1.00 0.00 C ATOM 1207 O VAL A 84 -7.250 6.191 -4.959 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.698 3.459 -5.335 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.765 3.784 -4.302 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -9.057 2.197 -6.106 1.00 0.00 C ATOM 0 H VAL A 84 -6.477 4.260 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.381 4.735 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.760 3.282 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.890 2.936 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.462 4.660 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.709 3.990 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.193 1.371 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.981 2.360 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.254 1.955 -6.802 1.00 0.00 H new ATOM 1220 N SER A 85 -9.395 6.706 -5.399 1.00 0.00 N ATOM 1221 CA SER A 85 -9.362 7.961 -4.655 1.00 0.00 C ATOM 1222 C SER A 85 -9.271 7.700 -3.154 1.00 0.00 C ATOM 1223 O SER A 85 -10.042 6.915 -2.602 1.00 0.00 O ATOM 1224 CB SER A 85 -10.607 8.795 -4.964 1.00 0.00 C ATOM 1225 OG SER A 85 -10.491 9.436 -6.224 1.00 0.00 O ATOM 0 H SER A 85 -10.295 6.495 -5.831 1.00 0.00 H new ATOM 0 HA SER A 85 -8.476 8.515 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.489 8.154 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.751 9.542 -4.184 1.00 0.00 H new ATOM 0 HG SER A 85 -11.299 9.961 -6.399 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.323 8.364 -2.502 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.132 8.207 -1.065 1.00 0.00 C ATOM 1233 C ALA A 86 -9.462 7.971 -0.356 1.00 0.00 C ATOM 1234 O ALA A 86 -9.585 7.066 0.467 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.433 9.429 -0.489 1.00 0.00 C ATOM 0 H ALA A 86 -7.675 9.016 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.503 7.332 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.297 9.298 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.460 9.550 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.040 10.316 -0.672 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.454 8.795 -0.681 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.774 8.677 -0.073 1.00 0.00 C ATOM 1243 C GLN A 87 -12.300 7.250 -0.189 1.00 0.00 C ATOM 1244 O GLN A 87 -12.656 6.627 0.810 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.751 9.650 -0.735 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.095 9.736 -0.029 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.053 10.691 -0.713 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -14.634 11.655 -1.354 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.347 10.428 -0.580 1.00 0.00 N ATOM 0 H GLN A 87 -10.368 9.550 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.685 8.927 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.300 10.642 -0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.912 9.344 -1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.544 8.744 0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.940 10.058 1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.650 9.618 -0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.039 11.036 -1.018 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.348 6.740 -1.415 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.830 5.387 -1.661 1.00 0.00 C ATOM 1260 C ALA A 88 -12.061 4.369 -0.825 1.00 0.00 C ATOM 1261 O ALA A 88 -12.650 3.469 -0.228 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.721 5.048 -3.141 1.00 0.00 C ATOM 0 H ALA A 88 -12.059 7.244 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.878 5.343 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.085 4.034 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.321 5.750 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.679 5.117 -3.454 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.740 4.519 -0.788 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.890 3.613 -0.024 1.00 0.00 C ATOM 1270 C VAL A 89 -10.356 3.511 1.424 1.00 0.00 C ATOM 1271 O VAL A 89 -10.690 2.428 1.905 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.419 4.071 -0.047 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.567 3.176 0.839 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.888 4.086 -1.473 1.00 0.00 C ATOM 0 H VAL A 89 -10.236 5.258 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.966 2.634 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.366 5.086 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.531 3.515 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.935 3.222 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.623 2.149 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.848 4.412 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.953 3.084 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.482 4.773 -2.075 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.377 4.647 2.114 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.804 4.685 3.508 1.00 0.00 C ATOM 1286 C VAL A 90 -12.302 4.430 3.631 1.00 0.00 C ATOM 1287 O VAL A 90 -12.727 3.467 4.269 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.470 6.041 4.160 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.944 6.070 5.605 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.977 6.321 4.073 1.00 0.00 C ATOM 0 H VAL A 90 -10.104 5.552 1.731 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.260 3.896 4.028 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.995 6.826 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.699 7.035 6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.023 5.919 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.450 5.277 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.759 7.282 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.429 5.535 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.672 6.347 3.027 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.097 5.297 3.015 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.548 5.165 3.053 1.00 0.00 C ATOM 1302 C ALA A 91 -14.968 3.702 2.963 1.00 0.00 C ATOM 1303 O ALA A 91 -15.817 3.241 3.726 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.182 5.968 1.927 1.00 0.00 C ATOM 0 H ALA A 91 -12.761 6.100 2.483 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.899 5.559 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.266 5.860 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.918 7.020 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.817 5.601 0.968 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.367 2.974 2.025 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.693 1.571 1.854 1.00 0.00 C ATOM 1312 C GLY A 92 -15.853 1.357 0.902 1.00 0.00 C ATOM 1313 O GLY A 92 -16.682 0.471 1.111 1.00 0.00 O ATOM 0 H GLY A 92 -13.661 3.332 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.817 1.041 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.938 1.137 2.824 1.00 0.00 H new ATOM 1317 N SER A 93 -15.915 2.173 -0.146 1.00 0.00 N ATOM 1318 CA SER A 93 -16.986 2.073 -1.130 1.00 0.00 C ATOM 1319 C SER A 93 -16.571 1.181 -2.296 1.00 0.00 C ATOM 1320 O SER A 93 -17.347 0.343 -2.758 1.00 0.00 O ATOM 1321 CB SER A 93 -17.364 3.463 -1.647 1.00 0.00 C ATOM 1322 OG SER A 93 -18.379 3.382 -2.633 1.00 0.00 O ATOM 0 H SER A 93 -15.236 2.910 -0.335 1.00 0.00 H new ATOM 0 HA SER A 93 -17.852 1.626 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.707 4.082 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.484 3.950 -2.066 1.00 0.00 H new ATOM 0 HG SER A 93 -18.604 4.283 -2.946 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.343 1.367 -2.767 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.822 0.578 -3.878 1.00 0.00 C ATOM 1330 C ASP A 94 -13.705 -0.348 -3.411 1.00 0.00 C ATOM 1331 O ASP A 94 -12.523 -0.005 -3.452 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.309 1.498 -4.987 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.349 2.509 -5.431 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.556 2.213 -5.300 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -14.957 3.594 -5.908 1.00 0.00 O ATOM 0 H ASP A 94 -14.689 2.057 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.635 -0.033 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.422 2.025 -4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.004 0.895 -5.843 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.085 -1.551 -2.955 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.130 -2.552 -2.471 1.00 0.00 C ATOM 1342 C PRO A 95 -12.283 -3.137 -3.595 1.00 0.00 C ATOM 1343 O PRO A 95 -11.140 -3.542 -3.378 1.00 0.00 O ATOM 1344 CB PRO A 95 -14.028 -3.631 -1.859 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.327 -3.491 -2.572 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.476 -2.026 -2.878 1.00 0.00 C ATOM 0 HA PRO A 95 -12.413 -2.126 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.604 -4.625 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.148 -3.484 -0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.336 -4.084 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.152 -3.846 -1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.009 -1.863 -3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.035 -1.508 -2.099 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.849 -3.179 -4.795 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.146 -3.715 -5.956 1.00 0.00 C ATOM 1356 C LEU A 96 -10.974 -2.819 -6.343 1.00 0.00 C ATOM 1357 O LEU A 96 -9.849 -3.288 -6.510 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.105 -3.857 -7.138 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.984 -5.109 -7.141 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.291 -4.846 -6.409 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.252 -5.569 -8.567 1.00 0.00 C ATOM 0 H LEU A 96 -13.794 -2.848 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.757 -4.699 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.754 -2.981 -7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.521 -3.845 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.452 -5.904 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.903 -5.748 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.080 -4.565 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.828 -4.036 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.879 -6.461 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.763 -4.777 -9.115 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.307 -5.799 -9.059 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.245 -1.524 -6.482 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.203 -0.583 -6.846 1.00 0.00 C ATOM 1375 C GLY A 97 -8.944 -0.764 -6.022 1.00 0.00 C ATOM 1376 O GLY A 97 -7.858 -0.966 -6.570 1.00 0.00 O ATOM 0 H GLY A 97 -12.168 -1.111 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.962 -0.703 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.575 0.434 -6.717 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.086 -0.691 -4.704 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.950 -0.847 -3.802 1.00 0.00 C ATOM 1382 C LEU A 98 -7.103 -2.054 -4.196 1.00 0.00 C ATOM 1383 O LEU A 98 -5.908 -1.926 -4.463 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.435 -1.000 -2.360 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.349 -1.200 -1.303 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.338 -0.064 -1.355 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.966 -1.304 0.084 1.00 0.00 C ATOM 0 H LEU A 98 -9.977 -0.525 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.332 0.048 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.012 -0.113 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.117 -1.849 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.828 -2.133 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.572 -0.223 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.872 -0.037 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.844 0.883 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.178 -1.446 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.513 -0.388 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.650 -2.152 0.115 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.732 -3.224 -4.233 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.037 -4.452 -4.597 1.00 0.00 C ATOM 1401 C ILE A 99 -6.241 -4.272 -5.885 1.00 0.00 C ATOM 1402 O ILE A 99 -5.059 -4.610 -5.948 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.022 -5.624 -4.776 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.819 -5.848 -3.489 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.273 -6.889 -5.169 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.032 -6.734 -3.677 1.00 0.00 C ATOM 0 H ILE A 99 -8.721 -3.347 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.354 -4.682 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.720 -5.375 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.166 -6.294 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.141 -4.883 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.982 -7.708 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.745 -6.722 -6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.555 -7.144 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.549 -6.850 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.706 -6.279 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.715 -7.712 -4.039 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.897 -3.736 -6.910 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.248 -3.507 -8.195 1.00 0.00 C ATOM 1420 C ALA A 100 -5.125 -2.484 -8.069 1.00 0.00 C ATOM 1421 O ALA A 100 -4.135 -2.543 -8.798 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.269 -3.047 -9.226 1.00 0.00 C ATOM 0 H ALA A 100 -7.876 -3.453 -6.875 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.810 -4.449 -8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.771 -2.879 -10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.036 -3.813 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.732 -2.119 -8.891 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.285 -1.548 -7.140 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.285 -0.510 -6.920 1.00 0.00 C ATOM 1430 C TYR A 101 -2.985 -1.109 -6.392 1.00 0.00 C ATOM 1431 O TYR A 101 -1.910 -0.881 -6.950 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.812 0.537 -5.938 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.853 1.681 -5.700 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.175 2.277 -6.758 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.624 2.167 -4.419 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.298 3.322 -6.545 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.750 3.213 -4.197 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.089 3.787 -5.263 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.216 4.828 -5.046 1.00 0.00 O ATOM 0 H TYR A 101 -6.098 -1.487 -6.527 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.081 -0.030 -7.877 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.753 0.936 -6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.030 0.053 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.337 1.916 -7.763 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.139 1.719 -3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.778 3.773 -7.378 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.585 3.579 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.520 5.618 -5.539 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.090 -1.879 -5.315 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.925 -2.514 -4.710 1.00 0.00 C ATOM 1451 C LEU A 102 -1.120 -3.282 -5.753 1.00 0.00 C ATOM 1452 O LEU A 102 0.111 -3.276 -5.730 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.358 -3.458 -3.587 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.157 -2.823 -2.447 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.746 -3.898 -1.547 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.279 -1.875 -1.644 1.00 0.00 C ATOM 0 H LEU A 102 -3.971 -2.079 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.292 -1.731 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.957 -4.258 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.466 -3.921 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.977 -2.249 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.311 -3.429 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.408 -4.538 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.941 -4.499 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.864 -1.433 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.439 -2.427 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.905 -1.086 -2.296 1.00 0.00 H new ATOM 1468 N SER A 103 -1.824 -3.941 -6.668 1.00 0.00 N ATOM 1469 CA SER A 103 -1.175 -4.715 -7.719 1.00 0.00 C ATOM 1470 C SER A 103 -0.097 -3.890 -8.416 1.00 0.00 C ATOM 1471 O SER A 103 0.956 -4.408 -8.787 1.00 0.00 O ATOM 1472 CB SER A 103 -2.208 -5.192 -8.742 1.00 0.00 C ATOM 1473 OG SER A 103 -2.369 -4.245 -9.784 1.00 0.00 O ATOM 0 H SER A 103 -2.843 -3.954 -6.702 1.00 0.00 H new ATOM 0 HA SER A 103 -0.703 -5.582 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.895 -6.148 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.165 -5.359 -8.247 1.00 0.00 H new ATOM 0 HG SER A 103 -3.222 -3.775 -9.670 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.369 -2.600 -8.591 1.00 0.00 N ATOM 1480 CA HIS A 104 0.578 -1.701 -9.243 1.00 0.00 C ATOM 1481 C HIS A 104 1.891 -1.642 -8.469 1.00 0.00 C ATOM 1482 O HIS A 104 2.970 -1.589 -9.061 1.00 0.00 O ATOM 1483 CB HIS A 104 -0.020 -0.298 -9.364 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.139 -0.208 -10.355 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.312 0.871 -11.197 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.143 -1.069 -10.639 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.375 0.669 -11.954 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.897 -0.501 -11.636 1.00 0.00 N ATOM 0 H HIS A 104 -1.236 -2.154 -8.291 1.00 0.00 H new ATOM 0 HA HIS A 104 0.782 -2.089 -10.241 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.385 0.018 -8.387 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.766 0.400 -9.652 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.319 -2.025 -10.169 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -2.753 1.346 -12.706 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.726 -0.916 -12.062 1.00 0.00 H new ATOM 1497 N PHE A 105 1.794 -1.650 -7.144 1.00 0.00 N ATOM 1498 CA PHE A 105 2.974 -1.596 -6.290 1.00 0.00 C ATOM 1499 C PHE A 105 3.793 -2.877 -6.412 1.00 0.00 C ATOM 1500 O PHE A 105 4.999 -2.836 -6.659 1.00 0.00 O ATOM 1501 CB PHE A 105 2.565 -1.375 -4.832 1.00 0.00 C ATOM 1502 CG PHE A 105 2.132 0.032 -4.538 1.00 0.00 C ATOM 1503 CD1 PHE A 105 3.057 0.990 -4.152 1.00 0.00 C ATOM 1504 CD2 PHE A 105 0.800 0.398 -4.646 1.00 0.00 C ATOM 1505 CE1 PHE A 105 2.661 2.285 -3.879 1.00 0.00 C ATOM 1506 CE2 PHE A 105 0.397 1.693 -4.375 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.329 2.637 -3.993 1.00 0.00 C ATOM 0 H PHE A 105 0.909 -1.693 -6.638 1.00 0.00 H new ATOM 0 HA PHE A 105 3.591 -0.759 -6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.751 -2.056 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.404 -1.631 -4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.099 0.721 -4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.067 -0.337 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 105 3.391 3.021 -3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.645 1.965 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.018 3.650 -3.783 1.00 0.00 H new ATOM 1517 N HIS A 106 3.129 -4.016 -6.237 1.00 0.00 N ATOM 1518 CA HIS A 106 3.795 -5.311 -6.328 1.00 0.00 C ATOM 1519 C HIS A 106 4.277 -5.575 -7.751 1.00 0.00 C ATOM 1520 O HIS A 106 5.478 -5.659 -8.004 1.00 0.00 O ATOM 1521 CB HIS A 106 2.850 -6.426 -5.881 1.00 0.00 C ATOM 1522 CG HIS A 106 3.497 -7.776 -5.831 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.833 -8.941 -6.149 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.757 -8.142 -5.498 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.656 -9.966 -6.012 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.830 -9.507 -5.618 1.00 0.00 N ATOM 0 H HIS A 106 2.131 -4.068 -6.032 1.00 0.00 H new ATOM 0 HA HIS A 106 4.662 -5.294 -5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.457 -6.184 -4.894 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.000 -6.465 -6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.556 -7.482 -5.194 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.410 -11.002 -6.192 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.657 -10.075 -5.433 1.00 0.00 H new ATOM 1535 N SER A 107 3.331 -5.709 -8.676 1.00 0.00 N ATOM 1536 CA SER A 107 3.660 -5.968 -10.072 1.00 0.00 C ATOM 1537 C SER A 107 4.953 -5.261 -10.468 1.00 0.00 C ATOM 1538 O SER A 107 5.736 -5.776 -11.265 1.00 0.00 O ATOM 1539 CB SER A 107 2.516 -5.512 -10.981 1.00 0.00 C ATOM 1540 OG SER A 107 2.670 -6.026 -12.292 1.00 0.00 O ATOM 0 H SER A 107 2.332 -5.642 -8.483 1.00 0.00 H new ATOM 0 HA SER A 107 3.804 -7.042 -10.191 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.564 -5.844 -10.567 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.487 -4.423 -11.015 1.00 0.00 H new ATOM 0 HG SER A 107 1.926 -5.721 -12.852 1.00 0.00 H new ATOM 1546 N ALA A 108 5.168 -4.078 -9.904 1.00 0.00 N ATOM 1547 CA ALA A 108 6.366 -3.299 -10.194 1.00 0.00 C ATOM 1548 C ALA A 108 7.517 -3.700 -9.277 1.00 0.00 C ATOM 1549 O ALA A 108 8.621 -3.987 -9.740 1.00 0.00 O ATOM 1550 CB ALA A 108 6.074 -1.811 -10.059 1.00 0.00 C ATOM 0 H ALA A 108 4.528 -3.637 -9.243 1.00 0.00 H new ATOM 0 HA ALA A 108 6.665 -3.507 -11.221 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.977 -1.242 -10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.288 -1.529 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.747 -1.595 -9.042 1.00 0.00 H new ATOM 1556 N PHE A 109 7.251 -3.718 -7.976 1.00 0.00 N ATOM 1557 CA PHE A 109 8.266 -4.082 -6.994 1.00 0.00 C ATOM 1558 C PHE A 109 8.144 -5.552 -6.605 1.00 0.00 C ATOM 1559 O PHE A 109 8.248 -5.907 -5.430 1.00 0.00 O ATOM 1560 CB PHE A 109 8.141 -3.201 -5.749 1.00 0.00 C ATOM 1561 CG PHE A 109 8.581 -1.782 -5.971 1.00 0.00 C ATOM 1562 CD1 PHE A 109 9.926 -1.468 -6.078 1.00 0.00 C ATOM 1563 CD2 PHE A 109 7.648 -0.763 -6.075 1.00 0.00 C ATOM 1564 CE1 PHE A 109 10.332 -0.163 -6.283 1.00 0.00 C ATOM 1565 CE2 PHE A 109 8.049 0.544 -6.279 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.392 0.844 -6.384 1.00 0.00 C ATOM 0 H PHE A 109 6.342 -3.485 -7.577 1.00 0.00 H new ATOM 0 HA PHE A 109 9.245 -3.924 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.103 -3.203 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.735 -3.636 -4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.665 -2.251 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.596 -0.992 -5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.384 0.069 -6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.312 1.330 -6.356 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.707 1.864 -6.545 1.00 0.00 H new ATOM 1576 N LYS A 110 7.922 -6.404 -7.600 1.00 0.00 N ATOM 1577 CA LYS A 110 7.786 -7.836 -7.365 1.00 0.00 C ATOM 1578 C LYS A 110 9.116 -8.447 -6.935 1.00 0.00 C ATOM 1579 O LYS A 110 9.164 -9.281 -6.031 1.00 0.00 O ATOM 1580 CB LYS A 110 7.277 -8.536 -8.627 1.00 0.00 C ATOM 1581 CG LYS A 110 5.762 -8.615 -8.710 1.00 0.00 C ATOM 1582 CD LYS A 110 5.310 -9.834 -9.496 1.00 0.00 C ATOM 1583 CE LYS A 110 3.962 -9.598 -10.162 1.00 0.00 C ATOM 1584 NZ LYS A 110 4.106 -8.935 -11.487 1.00 0.00 N ATOM 0 H LYS A 110 7.832 -6.127 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 110 7.064 -7.978 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.653 -8.007 -9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.688 -9.545 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.343 -8.653 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.375 -7.712 -9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.055 -10.076 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.242 -10.694 -8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.447 -10.551 -10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.340 -8.982 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.214 -8.462 -11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.870 -8.231 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.335 -9.648 -12.209 1.00 0.00 H new