USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 628 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 56 THR OG1 : rot -16:sc= 0.456 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.299 K(o=0.75,f=-4.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.828 USER MOD Single : A 44 GLN : amide:sc= -0.0754 X(o=-0.075,f=-0.22) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 172:sc= -0.175 (180deg=-0.255) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.00031) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 65 SER OG : rot -28:sc= 1.15 USER MOD Single : A 67 THR OG1 : rot -109:sc= 1.29 USER MOD Single : A 68 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.0902 K(o=-0.09,f=-1.2!) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.035 (180deg=-0.254) USER MOD Single : A 74 THR OG1 : rot 118:sc= 1.07 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0313 K(o=-0.031,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.0776 (180deg=-0.373) USER MOD Single : A 91 GLN : amide:sc=-0.00655 X(o=-0.0066,f=-0.033) USER MOD Single : A 95 ASN : amide:sc= -0.0298 K(o=-0.03,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.32) USER MOD Single : A 101 SER OG : rot 180:sc= 0.226 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N VAL A 38 -3.329 -9.616 -12.258 1.00 0.00 N ATOM 148 CA VAL A 38 -3.327 -8.380 -11.483 1.00 0.00 C ATOM 149 C VAL A 38 -3.764 -7.195 -12.337 1.00 0.00 C ATOM 150 O VAL A 38 -3.870 -7.304 -13.559 1.00 0.00 O ATOM 151 CB VAL A 38 -1.937 -8.088 -10.888 1.00 0.00 C ATOM 152 CG1 VAL A 38 -1.525 -9.194 -9.927 1.00 0.00 C ATOM 153 CG2 VAL A 38 -0.905 -7.935 -11.996 1.00 0.00 C ATOM 0 HA VAL A 38 -4.038 -8.518 -10.668 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.990 -7.151 -10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.540 -8.971 -9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.250 -9.260 -9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.489 -10.144 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.072 -7.729 -11.558 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.855 -8.856 -12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.191 -7.110 -12.648 1.00 0.00 H new ATOM 163 N ARG A 39 -4.014 -6.064 -11.686 1.00 0.00 N ATOM 164 CA ARG A 39 -4.196 -4.801 -12.391 1.00 0.00 C ATOM 165 C ARG A 39 -2.896 -4.002 -12.422 1.00 0.00 C ATOM 166 O ARG A 39 -1.916 -4.370 -11.776 1.00 0.00 O ATOM 167 CB ARG A 39 -5.343 -3.982 -11.818 1.00 0.00 C ATOM 168 CG ARG A 39 -6.692 -4.684 -11.818 1.00 0.00 C ATOM 169 CD ARG A 39 -7.238 -4.961 -13.172 1.00 0.00 C ATOM 170 NE ARG A 39 -7.571 -3.773 -13.942 1.00 0.00 N ATOM 171 CZ ARG A 39 -8.238 -3.783 -15.113 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.612 -4.913 -15.670 1.00 0.00 N ATOM 173 NH2 ARG A 39 -8.487 -2.625 -15.700 1.00 0.00 N ATOM 0 H ARG A 39 -4.095 -5.996 -10.671 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.469 -5.040 -13.419 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.095 -3.703 -10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.431 -3.057 -12.388 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.598 -5.626 -11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.407 -4.071 -11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.509 -5.548 -13.731 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.133 -5.576 -13.071 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.279 -2.869 -13.570 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.398 -5.801 -15.216 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.116 -4.902 -16.557 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.176 -1.756 -15.266 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.990 -2.601 -16.587 1.00 0.00 H new ATOM 187 N GLU A 40 -2.897 -2.908 -13.177 1.00 0.00 N ATOM 188 CA GLU A 40 -1.667 -2.182 -13.470 1.00 0.00 C ATOM 189 C GLU A 40 -1.384 -1.135 -12.397 1.00 0.00 C ATOM 190 O GLU A 40 -2.201 -0.909 -11.504 1.00 0.00 O ATOM 191 CB GLU A 40 -1.750 -1.519 -14.847 1.00 0.00 C ATOM 192 CG GLU A 40 -2.782 -0.404 -14.946 1.00 0.00 C ATOM 193 CD GLU A 40 -2.830 0.174 -16.333 1.00 0.00 C ATOM 194 OE1 GLU A 40 -1.856 0.754 -16.749 1.00 0.00 O ATOM 195 OE2 GLU A 40 -3.797 -0.059 -17.019 1.00 0.00 O ATOM 0 H GLU A 40 -3.735 -2.505 -13.596 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.846 -2.899 -13.475 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.770 -1.115 -15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.984 -2.281 -15.590 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.765 -0.790 -14.676 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.541 0.382 -14.230 1.00 0.00 H new ATOM 202 N LEU A 41 -0.222 -0.499 -12.491 1.00 0.00 N ATOM 203 CA LEU A 41 0.195 0.484 -11.498 1.00 0.00 C ATOM 204 C LEU A 41 0.240 1.883 -12.104 1.00 0.00 C ATOM 205 O LEU A 41 1.293 2.349 -12.542 1.00 0.00 O ATOM 206 CB LEU A 41 1.563 0.107 -10.916 1.00 0.00 C ATOM 207 CG LEU A 41 1.529 -0.929 -9.786 1.00 0.00 C ATOM 208 CD1 LEU A 41 0.757 -2.164 -10.232 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.952 -1.298 -9.390 1.00 0.00 C ATOM 0 H LEU A 41 0.449 -0.647 -13.245 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.538 0.487 -10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.189 -0.278 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.043 1.012 -10.543 1.00 0.00 H new ATOM 0 HG LEU A 41 1.022 -0.504 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.739 -2.894 -9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.264 -1.882 -10.489 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.243 -2.602 -11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.927 -2.034 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.472 -1.718 -10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.477 -0.406 -9.048 1.00 0.00 H new ATOM 221 N THR A 42 -0.909 2.551 -12.124 1.00 0.00 N ATOM 222 CA THR A 42 -0.995 3.907 -12.653 1.00 0.00 C ATOM 223 C THR A 42 -0.700 4.940 -11.571 1.00 0.00 C ATOM 224 O THR A 42 -0.779 4.660 -10.375 1.00 0.00 O ATOM 225 CB THR A 42 -2.385 4.190 -13.254 1.00 0.00 C ATOM 226 OG1 THR A 42 -3.381 4.101 -12.228 1.00 0.00 O ATOM 227 CG2 THR A 42 -2.705 3.188 -14.353 1.00 0.00 C ATOM 0 H THR A 42 -1.793 2.175 -11.780 1.00 0.00 H new ATOM 0 HA THR A 42 -0.245 3.986 -13.440 1.00 0.00 H new ATOM 0 HB THR A 42 -2.381 5.193 -13.680 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.264 4.283 -12.612 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.691 3.403 -14.766 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.957 3.262 -15.142 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.697 2.180 -13.939 1.00 0.00 H new ATOM 235 N PRO A 43 -0.352 6.163 -11.998 1.00 0.00 N ATOM 236 CA PRO A 43 -0.151 7.292 -11.086 1.00 0.00 C ATOM 237 C PRO A 43 -1.414 7.641 -10.308 1.00 0.00 C ATOM 238 O PRO A 43 -1.345 8.148 -9.188 1.00 0.00 O ATOM 239 CB PRO A 43 0.283 8.437 -12.006 1.00 0.00 C ATOM 240 CG PRO A 43 -0.245 8.058 -13.347 1.00 0.00 C ATOM 241 CD PRO A 43 -0.146 6.557 -13.404 1.00 0.00 C ATOM 0 HA PRO A 43 0.587 7.069 -10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.127 9.391 -11.673 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.368 8.544 -12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.276 8.389 -13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.337 8.521 -14.144 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.903 6.126 -14.060 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.824 6.229 -13.778 1.00 0.00 H new ATOM 249 N GLN A 44 -2.568 7.364 -10.906 1.00 0.00 N ATOM 250 CA GLN A 44 -3.846 7.553 -10.229 1.00 0.00 C ATOM 251 C GLN A 44 -4.002 6.563 -9.078 1.00 0.00 C ATOM 252 O GLN A 44 -4.516 6.909 -8.016 1.00 0.00 O ATOM 253 CB GLN A 44 -5.006 7.392 -11.213 1.00 0.00 C ATOM 254 CG GLN A 44 -6.373 7.685 -10.618 1.00 0.00 C ATOM 255 CD GLN A 44 -6.506 9.123 -10.155 1.00 0.00 C ATOM 256 OE1 GLN A 44 -6.122 10.056 -10.865 1.00 0.00 O ATOM 257 NE2 GLN A 44 -7.049 9.311 -8.957 1.00 0.00 N ATOM 0 H GLN A 44 -2.645 7.008 -11.859 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.864 8.565 -9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.842 8.055 -12.062 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.001 6.373 -11.599 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.142 7.473 -11.360 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.550 7.017 -9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.353 8.510 -8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.162 10.256 -8.591 1.00 0.00 H new ATOM 266 N GLU A 45 -3.554 5.332 -9.299 1.00 0.00 N ATOM 267 CA GLU A 45 -3.620 4.300 -8.271 1.00 0.00 C ATOM 268 C GLU A 45 -2.631 4.588 -7.145 1.00 0.00 C ATOM 269 O GLU A 45 -2.922 4.349 -5.972 1.00 0.00 O ATOM 270 CB GLU A 45 -3.344 2.921 -8.874 1.00 0.00 C ATOM 271 CG GLU A 45 -4.454 2.395 -9.773 1.00 0.00 C ATOM 272 CD GLU A 45 -5.758 2.293 -9.029 1.00 0.00 C ATOM 273 OE1 GLU A 45 -5.776 1.690 -7.982 1.00 0.00 O ATOM 274 OE2 GLU A 45 -6.709 2.910 -9.447 1.00 0.00 O ATOM 0 H GLU A 45 -3.142 5.025 -10.180 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.627 4.305 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.419 2.968 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.181 2.210 -8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.573 3.056 -10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.177 1.415 -10.161 1.00 0.00 H new ATOM 281 N LEU A 46 -1.463 5.104 -7.510 1.00 0.00 N ATOM 282 CA LEU A 46 -0.400 5.353 -6.541 1.00 0.00 C ATOM 283 C LEU A 46 -0.722 6.573 -5.683 1.00 0.00 C ATOM 284 O LEU A 46 -0.428 6.598 -4.489 1.00 0.00 O ATOM 285 CB LEU A 46 0.940 5.542 -7.261 1.00 0.00 C ATOM 286 CG LEU A 46 1.791 4.273 -7.399 1.00 0.00 C ATOM 287 CD1 LEU A 46 0.919 3.106 -7.844 1.00 0.00 C ATOM 288 CD2 LEU A 46 2.913 4.519 -8.398 1.00 0.00 C ATOM 0 H LEU A 46 -1.227 5.358 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.325 4.487 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.746 5.941 -8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.520 6.293 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 46 2.230 4.023 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.532 2.210 -7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.137 2.934 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.464 3.338 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.517 3.617 -8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.487 4.777 -9.367 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.539 5.339 -8.047 1.00 0.00 H new ATOM 300 N GLU A 47 -1.331 7.581 -6.301 1.00 0.00 N ATOM 301 CA GLU A 47 -1.697 8.801 -5.592 1.00 0.00 C ATOM 302 C GLU A 47 -2.777 8.521 -4.549 1.00 0.00 C ATOM 303 O GLU A 47 -2.666 8.937 -3.396 1.00 0.00 O ATOM 304 CB GLU A 47 -2.177 9.871 -6.574 1.00 0.00 C ATOM 305 CG GLU A 47 -1.070 10.497 -7.411 1.00 0.00 C ATOM 306 CD GLU A 47 -1.632 11.422 -8.455 1.00 0.00 C ATOM 307 OE1 GLU A 47 -2.832 11.507 -8.563 1.00 0.00 O ATOM 308 OE2 GLU A 47 -0.866 12.127 -9.069 1.00 0.00 O ATOM 0 H GLU A 47 -1.581 7.576 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.809 9.171 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.916 9.429 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.684 10.658 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.388 11.048 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.487 9.712 -7.893 1.00 0.00 H new ATOM 315 N LEU A 48 -3.822 7.814 -4.965 1.00 0.00 N ATOM 316 CA LEU A 48 -4.952 7.529 -4.087 1.00 0.00 C ATOM 317 C LEU A 48 -4.527 6.637 -2.924 1.00 0.00 C ATOM 318 O LEU A 48 -5.129 6.670 -1.852 1.00 0.00 O ATOM 319 CB LEU A 48 -6.080 6.859 -4.874 1.00 0.00 C ATOM 320 CG LEU A 48 -5.929 5.357 -5.114 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.454 4.571 -3.923 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.656 4.945 -6.387 1.00 0.00 C ATOM 0 H LEU A 48 -3.910 7.427 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.313 8.475 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.017 7.030 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.166 7.355 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.869 5.133 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.338 3.504 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.892 4.845 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.509 4.800 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.538 3.873 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.715 5.184 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.236 5.483 -7.237 1.00 0.00 H new ATOM 334 N PHE A 49 -3.487 5.841 -3.147 1.00 0.00 N ATOM 335 CA PHE A 49 -2.931 4.998 -2.094 1.00 0.00 C ATOM 336 C PHE A 49 -2.277 5.846 -1.008 1.00 0.00 C ATOM 337 O PHE A 49 -2.629 5.747 0.169 1.00 0.00 O ATOM 338 CB PHE A 49 -1.915 4.013 -2.677 1.00 0.00 C ATOM 339 CG PHE A 49 -1.252 3.145 -1.645 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.916 2.053 -1.107 1.00 0.00 C ATOM 341 CD2 PHE A 49 0.035 3.419 -1.211 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.307 1.254 -0.159 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.648 2.621 -0.264 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.026 1.537 0.263 1.00 0.00 C ATOM 0 H PHE A 49 -3.012 5.762 -4.046 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.749 4.435 -1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.417 3.376 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.149 4.571 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.920 1.825 -1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.566 4.267 -1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.835 0.406 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.653 2.845 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.450 0.912 1.004 1.00 0.00 H new ATOM 354 N LYS A 50 -1.325 6.680 -1.408 1.00 0.00 N ATOM 355 CA LYS A 50 -0.628 7.555 -0.472 1.00 0.00 C ATOM 356 C LYS A 50 -1.589 8.572 0.137 1.00 0.00 C ATOM 357 O LYS A 50 -1.393 9.027 1.266 1.00 0.00 O ATOM 358 CB LYS A 50 0.531 8.272 -1.166 1.00 0.00 C ATOM 359 CG LYS A 50 0.103 9.308 -2.197 1.00 0.00 C ATOM 360 CD LYS A 50 1.307 10.013 -2.805 1.00 0.00 C ATOM 361 CE LYS A 50 0.878 11.093 -3.787 1.00 0.00 C ATOM 362 NZ LYS A 50 2.046 11.772 -4.413 1.00 0.00 N ATOM 0 H LYS A 50 -1.017 6.769 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.225 6.938 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.144 8.762 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.161 7.529 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.474 8.823 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.552 10.042 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.909 10.458 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.938 9.285 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.256 10.650 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.264 11.830 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.710 12.500 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.626 12.217 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.619 11.073 -4.928 1.00 0.00 H new ATOM 376 N ARG A 51 -2.625 8.926 -0.615 1.00 0.00 N ATOM 377 CA ARG A 51 -3.643 9.848 -0.129 1.00 0.00 C ATOM 378 C ARG A 51 -4.432 9.228 1.024 1.00 0.00 C ATOM 379 O ARG A 51 -4.508 9.796 2.112 1.00 0.00 O ATOM 380 CB ARG A 51 -4.563 10.330 -1.241 1.00 0.00 C ATOM 381 CG ARG A 51 -5.634 11.317 -0.802 1.00 0.00 C ATOM 382 CD ARG A 51 -6.493 11.817 -1.907 1.00 0.00 C ATOM 383 NE ARG A 51 -7.526 12.751 -1.490 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.425 13.318 -2.318 1.00 0.00 C ATOM 385 NH1 ARG A 51 -8.398 13.080 -3.611 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.321 14.141 -1.800 1.00 0.00 N ATOM 0 H ARG A 51 -2.782 8.588 -1.564 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.127 10.730 0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.957 10.795 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.049 9.465 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.266 10.840 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.152 12.167 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.861 12.302 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.966 10.966 -2.397 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.574 12.994 -0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.689 12.458 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.086 13.517 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.319 14.332 -0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.014 14.585 -2.402 1.00 0.00 H new ATOM 400 N ALA A 52 -5.015 8.061 0.774 1.00 0.00 N ATOM 401 CA ALA A 52 -5.802 7.368 1.786 1.00 0.00 C ATOM 402 C ALA A 52 -4.926 6.924 2.954 1.00 0.00 C ATOM 403 O ALA A 52 -5.384 6.864 4.095 1.00 0.00 O ATOM 404 CB ALA A 52 -6.514 6.172 1.174 1.00 0.00 C ATOM 0 H ALA A 52 -4.957 7.575 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.548 8.064 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.098 5.664 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.178 6.511 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.778 5.482 0.762 1.00 0.00 H new ATOM 410 N MET A 53 -3.669 6.615 2.660 1.00 0.00 N ATOM 411 CA MET A 53 -2.744 6.129 3.678 1.00 0.00 C ATOM 412 C MET A 53 -2.320 7.260 4.610 1.00 0.00 C ATOM 413 O MET A 53 -1.835 7.017 5.715 1.00 0.00 O ATOM 414 CB MET A 53 -1.519 5.495 3.021 1.00 0.00 C ATOM 415 CG MET A 53 -0.591 4.769 3.986 1.00 0.00 C ATOM 416 SD MET A 53 -1.391 3.371 4.798 1.00 0.00 S ATOM 417 CE MET A 53 -1.529 2.221 3.435 1.00 0.00 C ATOM 0 H MET A 53 -3.266 6.692 1.726 1.00 0.00 H new ATOM 0 HA MET A 53 -3.256 5.372 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.854 4.791 2.260 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.953 6.273 2.509 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.287 4.416 3.444 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.238 5.470 4.742 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.873 1.256 3.807 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.243 2.605 2.706 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.555 2.101 2.961 1.00 0.00 H new ATOM 427 N GLY A 54 -2.503 8.496 4.157 1.00 0.00 N ATOM 428 CA GLY A 54 -2.093 9.644 4.945 1.00 0.00 C ATOM 429 C GLY A 54 -0.593 9.858 4.923 1.00 0.00 C ATOM 430 O GLY A 54 -0.013 10.341 5.897 1.00 0.00 O ATOM 0 H GLY A 54 -2.928 8.723 3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.590 10.537 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.422 9.510 5.975 1.00 0.00 H new ATOM 434 N ILE A 55 0.039 9.494 3.811 1.00 0.00 N ATOM 435 CA ILE A 55 1.493 9.538 3.710 1.00 0.00 C ATOM 436 C ILE A 55 2.019 10.943 3.982 1.00 0.00 C ATOM 437 O ILE A 55 1.527 11.923 3.422 1.00 0.00 O ATOM 438 CB ILE A 55 1.976 9.078 2.322 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.564 7.625 2.069 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.484 9.235 2.206 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.198 6.636 3.021 1.00 0.00 C ATOM 0 H ILE A 55 -0.433 9.166 2.968 1.00 0.00 H new ATOM 0 HA ILE A 55 1.883 8.854 4.464 1.00 0.00 H new ATOM 0 HB ILE A 55 1.507 9.706 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.480 7.546 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.831 7.354 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.809 8.906 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.753 10.282 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.973 8.630 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.858 5.629 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.283 6.685 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.911 6.880 4.044 1.00 0.00 H new ATOM 453 N THR A 56 3.028 11.034 4.843 1.00 0.00 N ATOM 454 CA THR A 56 3.682 12.306 5.122 1.00 0.00 C ATOM 455 C THR A 56 5.188 12.210 4.904 1.00 0.00 C ATOM 456 O THR A 56 5.773 11.127 4.915 1.00 0.00 O ATOM 457 CB THR A 56 3.410 12.776 6.563 1.00 0.00 C ATOM 458 OG1 THR A 56 3.956 11.826 7.488 1.00 0.00 O ATOM 459 CG2 THR A 56 1.916 12.914 6.807 1.00 0.00 C ATOM 0 H THR A 56 3.410 10.241 5.359 1.00 0.00 H new ATOM 0 HA THR A 56 3.264 13.034 4.427 1.00 0.00 H new ATOM 0 HB THR A 56 3.882 13.748 6.707 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.143 10.985 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.744 13.247 7.831 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.500 13.644 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.432 11.950 6.653 1.00 0.00 H new ATOM 467 N PRO A 57 5.832 13.368 4.697 1.00 0.00 N ATOM 468 CA PRO A 57 7.288 13.449 4.555 1.00 0.00 C ATOM 469 C PRO A 57 8.020 13.040 5.830 1.00 0.00 C ATOM 470 O PRO A 57 9.227 12.799 5.815 1.00 0.00 O ATOM 471 CB PRO A 57 7.543 14.918 4.200 1.00 0.00 C ATOM 472 CG PRO A 57 6.360 15.642 4.748 1.00 0.00 C ATOM 473 CD PRO A 57 5.197 14.705 4.562 1.00 0.00 C ATOM 0 HA PRO A 57 7.664 12.762 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.471 15.279 4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.630 15.057 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.502 15.887 5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.196 16.582 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.424 14.864 5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.725 14.833 3.588 1.00 0.00 H new ATOM 481 N HIS A 58 7.280 12.965 6.932 1.00 0.00 N ATOM 482 CA HIS A 58 7.845 12.526 8.204 1.00 0.00 C ATOM 483 C HIS A 58 8.124 11.026 8.186 1.00 0.00 C ATOM 484 O HIS A 58 9.048 10.550 8.844 1.00 0.00 O ATOM 485 CB HIS A 58 6.907 12.872 9.364 1.00 0.00 C ATOM 486 CG HIS A 58 6.781 14.342 9.617 1.00 0.00 C ATOM 487 ND1 HIS A 58 7.837 15.115 10.051 1.00 0.00 N ATOM 488 CD2 HIS A 58 5.725 15.181 9.498 1.00 0.00 C ATOM 489 CE1 HIS A 58 7.436 16.367 10.187 1.00 0.00 C ATOM 490 NE2 HIS A 58 6.159 16.432 9.859 1.00 0.00 N ATOM 0 H HIS A 58 6.289 13.202 6.970 1.00 0.00 H new ATOM 0 HA HIS A 58 8.788 13.053 8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.919 12.462 9.155 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.269 12.386 10.270 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.728 14.916 9.179 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.048 17.195 10.511 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.587 17.276 9.872 1.00 0.00 H new ATOM 498 N ASN A 59 7.320 10.288 7.428 1.00 0.00 N ATOM 499 CA ASN A 59 7.500 8.847 7.300 1.00 0.00 C ATOM 500 C ASN A 59 7.442 8.419 5.837 1.00 0.00 C ATOM 501 O ASN A 59 7.093 7.280 5.525 1.00 0.00 O ATOM 502 CB ASN A 59 6.470 8.082 8.113 1.00 0.00 C ATOM 503 CG ASN A 59 5.054 8.309 7.662 1.00 0.00 C ATOM 504 OD1 ASN A 59 4.791 9.095 6.744 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.134 7.687 8.355 1.00 0.00 N ATOM 0 H ASN A 59 6.537 10.664 6.893 1.00 0.00 H new ATOM 0 HA ASN A 59 8.487 8.607 7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.694 7.017 8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.559 8.371 9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.147 7.841 8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.404 7.048 9.103 1.00 0.00 H new ATOM 512 N TYR A 60 7.789 9.340 4.944 1.00 0.00 N ATOM 513 CA TYR A 60 7.749 9.068 3.512 1.00 0.00 C ATOM 514 C TYR A 60 8.789 8.021 3.127 1.00 0.00 C ATOM 515 O TYR A 60 8.540 7.164 2.277 1.00 0.00 O ATOM 516 CB TYR A 60 7.977 10.354 2.714 1.00 0.00 C ATOM 517 CG TYR A 60 7.962 10.156 1.214 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.766 10.011 0.527 1.00 0.00 C ATOM 519 CD2 TYR A 60 9.145 10.117 0.491 1.00 0.00 C ATOM 520 CE1 TYR A 60 6.748 9.830 -0.843 1.00 0.00 C ATOM 521 CE2 TYR A 60 9.138 9.937 -0.877 1.00 0.00 C ATOM 522 CZ TYR A 60 7.937 9.794 -1.542 1.00 0.00 C ATOM 523 OH TYR A 60 7.924 9.615 -2.906 1.00 0.00 O ATOM 0 H TYR A 60 8.101 10.280 5.186 1.00 0.00 H new ATOM 0 HA TYR A 60 6.761 8.676 3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.208 11.078 2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.935 10.785 3.004 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.834 10.040 1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.087 10.229 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.808 9.717 -1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.068 9.908 -1.425 1.00 0.00 H new ATOM 0 HH TYR A 60 8.844 9.615 -3.245 1.00 0.00 H new ATOM 533 N TRP A 61 9.956 8.094 3.758 1.00 0.00 N ATOM 534 CA TRP A 61 11.047 7.173 3.459 1.00 0.00 C ATOM 535 C TRP A 61 10.702 5.758 3.911 1.00 0.00 C ATOM 536 O TRP A 61 10.981 4.788 3.205 1.00 0.00 O ATOM 537 CB TRP A 61 12.340 7.639 4.131 1.00 0.00 C ATOM 538 CG TRP A 61 12.944 8.851 3.487 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.979 10.114 4.000 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.600 8.915 2.216 1.00 0.00 C ATOM 541 NE1 TRP A 61 13.615 10.961 3.125 1.00 0.00 N ATOM 542 CE2 TRP A 61 14.007 10.246 2.023 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.884 7.971 1.222 1.00 0.00 C ATOM 544 CZ2 TRP A 61 14.677 10.660 0.882 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.557 8.385 0.077 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.942 9.691 -0.087 1.00 0.00 C ATOM 0 H TRP A 61 10.171 8.782 4.480 1.00 0.00 H new ATOM 0 HA TRP A 61 11.195 7.164 2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 61 12.137 7.857 5.180 1.00 0.00 H new ATOM 0 HB3 TRP A 61 13.065 6.826 4.109 1.00 0.00 H new ATOM 0 HD1 TRP A 61 12.567 10.406 4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.770 11.958 3.271 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.586 6.940 1.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.981 11.688 0.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.780 7.665 -0.697 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.463 9.977 -0.989 1.00 0.00 H new ATOM 557 N GLN A 62 10.095 5.647 5.088 1.00 0.00 N ATOM 558 CA GLN A 62 9.695 4.351 5.620 1.00 0.00 C ATOM 559 C GLN A 62 8.695 3.666 4.694 1.00 0.00 C ATOM 560 O GLN A 62 8.851 2.493 4.353 1.00 0.00 O ATOM 561 CB GLN A 62 9.084 4.509 7.015 1.00 0.00 C ATOM 562 CG GLN A 62 10.086 4.883 8.094 1.00 0.00 C ATOM 563 CD GLN A 62 9.423 5.148 9.433 1.00 0.00 C ATOM 564 OE1 GLN A 62 8.194 5.133 9.547 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.236 5.397 10.455 1.00 0.00 N ATOM 0 H GLN A 62 9.870 6.439 5.691 1.00 0.00 H new ATOM 0 HA GLN A 62 10.587 3.729 5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.308 5.273 6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.598 3.574 7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.813 4.079 8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.637 5.770 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.246 5.399 10.314 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.850 5.586 11.380 1.00 0.00 H new ATOM 574 N TRP A 63 7.669 4.406 4.289 1.00 0.00 N ATOM 575 CA TRP A 63 6.676 3.889 3.352 1.00 0.00 C ATOM 576 C TRP A 63 7.298 3.648 1.980 1.00 0.00 C ATOM 577 O TRP A 63 6.956 2.685 1.296 1.00 0.00 O ATOM 578 CB TRP A 63 5.497 4.856 3.233 1.00 0.00 C ATOM 579 CG TRP A 63 4.495 4.716 4.338 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.313 5.566 5.388 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.535 3.663 4.501 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.302 5.109 6.196 1.00 0.00 N ATOM 583 CE2 TRP A 63 2.807 3.941 5.671 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.223 2.512 3.770 1.00 0.00 C ATOM 585 CZ2 TRP A 63 1.791 3.116 6.128 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.204 1.685 4.227 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.508 1.979 5.373 1.00 0.00 C ATOM 0 H TRP A 63 7.502 5.365 4.594 1.00 0.00 H new ATOM 0 HA TRP A 63 6.312 2.937 3.737 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.875 5.878 3.224 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.998 4.692 2.278 1.00 0.00 H new ATOM 0 HD1 TRP A 63 4.882 6.468 5.559 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.972 5.563 7.048 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.764 2.270 2.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.243 3.344 7.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 1.955 0.794 3.670 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.722 1.313 5.698 1.00 0.00 H new ATOM 598 N ALA A 64 8.211 4.529 1.585 1.00 0.00 N ATOM 599 CA ALA A 64 8.855 4.427 0.282 1.00 0.00 C ATOM 600 C ALA A 64 9.743 3.191 0.201 1.00 0.00 C ATOM 601 O ALA A 64 9.953 2.634 -0.876 1.00 0.00 O ATOM 602 CB ALA A 64 9.668 5.682 -0.002 1.00 0.00 C ATOM 0 H ALA A 64 8.521 5.321 2.148 1.00 0.00 H new ATOM 0 HA ALA A 64 8.076 4.330 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.144 5.594 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.010 6.551 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.433 5.801 0.765 1.00 0.00 H new ATOM 608 N SER A 65 10.262 2.766 1.349 1.00 0.00 N ATOM 609 CA SER A 65 11.158 1.617 1.403 1.00 0.00 C ATOM 610 C SER A 65 10.367 0.312 1.416 1.00 0.00 C ATOM 611 O SER A 65 10.743 -0.661 0.761 1.00 0.00 O ATOM 612 CB SER A 65 12.053 1.707 2.623 1.00 0.00 C ATOM 613 OG SER A 65 11.324 1.634 3.818 1.00 0.00 O ATOM 0 H SER A 65 10.077 3.200 2.253 1.00 0.00 H new ATOM 0 HA SER A 65 11.782 1.626 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.785 0.900 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.610 2.644 2.595 1.00 0.00 H new ATOM 0 HG SER A 65 10.420 1.984 3.672 1.00 0.00 H new ATOM 619 N ARG A 66 9.272 0.299 2.167 1.00 0.00 N ATOM 620 CA ARG A 66 8.502 -0.921 2.376 1.00 0.00 C ATOM 621 C ARG A 66 7.563 -1.181 1.201 1.00 0.00 C ATOM 622 O ARG A 66 7.177 -2.321 0.941 1.00 0.00 O ATOM 623 CB ARG A 66 7.751 -0.909 3.700 1.00 0.00 C ATOM 624 CG ARG A 66 6.601 0.082 3.773 1.00 0.00 C ATOM 625 CD ARG A 66 5.690 -0.122 4.929 1.00 0.00 C ATOM 626 NE ARG A 66 6.340 -0.055 6.227 1.00 0.00 N ATOM 627 CZ ARG A 66 6.486 1.071 6.952 1.00 0.00 C ATOM 628 NH1 ARG A 66 6.066 2.231 6.496 1.00 0.00 N ATOM 629 NH2 ARG A 66 7.087 0.983 8.127 1.00 0.00 N ATOM 0 H ARG A 66 8.897 1.120 2.642 1.00 0.00 H new ATOM 0 HA ARG A 66 9.212 -1.746 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.362 -1.909 3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.457 -0.684 4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.009 1.091 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.021 0.016 2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.902 0.630 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.207 -1.094 4.828 1.00 0.00 H new ATOM 0 HE ARG A 66 6.712 -0.921 6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.621 2.288 5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.185 3.073 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.425 0.080 8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.213 1.818 8.699 1.00 0.00 H new ATOM 643 N THR A 67 7.201 -0.117 0.494 1.00 0.00 N ATOM 644 CA THR A 67 6.217 -0.209 -0.579 1.00 0.00 C ATOM 645 C THR A 67 6.897 -0.349 -1.937 1.00 0.00 C ATOM 646 O THR A 67 6.244 -0.285 -2.977 1.00 0.00 O ATOM 647 CB THR A 67 5.290 1.020 -0.603 1.00 0.00 C ATOM 648 OG1 THR A 67 6.070 2.206 -0.805 1.00 0.00 O ATOM 649 CG2 THR A 67 4.526 1.137 0.707 1.00 0.00 C ATOM 0 H THR A 67 7.574 0.820 0.644 1.00 0.00 H new ATOM 0 HA THR A 67 5.618 -1.098 -0.382 1.00 0.00 H new ATOM 0 HB THR A 67 4.576 0.903 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.093 2.728 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.876 2.011 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.923 0.242 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.231 1.242 1.531 1.00 0.00 H new ATOM 657 N ASN A 68 8.212 -0.543 -1.917 1.00 0.00 N ATOM 658 CA ASN A 68 8.985 -0.658 -3.150 1.00 0.00 C ATOM 659 C ASN A 68 8.674 0.497 -4.097 1.00 0.00 C ATOM 660 O ASN A 68 8.304 0.284 -5.251 1.00 0.00 O ATOM 661 CB ASN A 68 8.737 -1.987 -3.840 1.00 0.00 C ATOM 662 CG ASN A 68 9.748 -2.314 -4.903 1.00 0.00 C ATOM 663 OD1 ASN A 68 10.890 -1.843 -4.867 1.00 0.00 O ATOM 664 ND2 ASN A 68 9.311 -3.052 -5.891 1.00 0.00 N ATOM 0 H ASN A 68 8.764 -0.624 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 68 10.040 -0.611 -2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.739 -2.780 -3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.743 -1.974 -4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.923 -3.262 -6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.359 -3.417 -5.873 1.00 0.00 H new ATOM 671 N ASN A 69 8.827 1.721 -3.601 1.00 0.00 N ATOM 672 CA ASN A 69 8.499 2.908 -4.379 1.00 0.00 C ATOM 673 C ASN A 69 7.004 2.961 -4.688 1.00 0.00 C ATOM 674 O ASN A 69 6.599 3.332 -5.789 1.00 0.00 O ATOM 675 CB ASN A 69 9.306 2.971 -5.664 1.00 0.00 C ATOM 676 CG ASN A 69 9.389 4.350 -6.259 1.00 0.00 C ATOM 677 OD1 ASN A 69 9.313 5.359 -5.550 1.00 0.00 O ATOM 678 ND2 ASN A 69 9.463 4.397 -7.565 1.00 0.00 N ATOM 0 H ASN A 69 9.177 1.916 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 69 8.760 3.776 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.315 2.609 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.862 2.296 -6.395 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.460 5.298 -8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.524 3.533 -8.104 1.00 0.00 H new ATOM 685 N PHE A 70 6.191 2.589 -3.705 1.00 0.00 N ATOM 686 CA PHE A 70 4.747 2.524 -3.893 1.00 0.00 C ATOM 687 C PHE A 70 4.396 1.696 -5.124 1.00 0.00 C ATOM 688 O PHE A 70 3.455 2.015 -5.855 1.00 0.00 O ATOM 689 CB PHE A 70 4.159 3.931 -4.015 1.00 0.00 C ATOM 690 CG PHE A 70 4.401 4.795 -2.812 1.00 0.00 C ATOM 691 CD1 PHE A 70 3.596 4.685 -1.687 1.00 0.00 C ATOM 692 CD2 PHE A 70 5.433 5.721 -2.800 1.00 0.00 C ATOM 693 CE1 PHE A 70 3.816 5.481 -0.580 1.00 0.00 C ATOM 694 CE2 PHE A 70 5.657 6.517 -1.693 1.00 0.00 C ATOM 695 CZ PHE A 70 4.848 6.397 -0.582 1.00 0.00 C ATOM 0 H PHE A 70 6.507 2.328 -2.771 1.00 0.00 H new ATOM 0 HA PHE A 70 4.313 2.038 -3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.585 4.418 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.085 3.852 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.788 3.969 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.070 5.821 -3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.180 5.386 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.465 7.233 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.022 7.018 0.284 1.00 0.00 H new ATOM 705 N LYS A 71 5.157 0.630 -5.352 1.00 0.00 N ATOM 706 CA LYS A 71 4.850 -0.318 -6.414 1.00 0.00 C ATOM 707 C LYS A 71 4.044 -1.497 -5.875 1.00 0.00 C ATOM 708 O LYS A 71 4.609 -2.465 -5.364 1.00 0.00 O ATOM 709 CB LYS A 71 6.134 -0.814 -7.080 1.00 0.00 C ATOM 710 CG LYS A 71 6.906 0.258 -7.836 1.00 0.00 C ATOM 711 CD LYS A 71 6.182 0.668 -9.109 1.00 0.00 C ATOM 712 CE LYS A 71 6.183 -0.457 -10.133 1.00 0.00 C ATOM 713 NZ LYS A 71 7.552 -0.755 -10.632 1.00 0.00 N ATOM 0 H LYS A 71 5.993 0.402 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 71 4.246 0.197 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.783 -1.241 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.883 -1.619 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.043 1.130 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.900 -0.114 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.155 0.946 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.661 1.550 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.757 -1.355 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.543 -0.184 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.489 -1.334 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.044 0.135 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.081 -1.275 -9.904 1.00 0.00 H new ATOM 727 N LEU A 72 2.724 -1.411 -5.994 1.00 0.00 N ATOM 728 CA LEU A 72 1.841 -2.457 -5.491 1.00 0.00 C ATOM 729 C LEU A 72 0.825 -2.869 -6.553 1.00 0.00 C ATOM 730 O LEU A 72 0.388 -2.047 -7.361 1.00 0.00 O ATOM 731 CB LEU A 72 1.113 -1.977 -4.234 1.00 0.00 C ATOM 732 CG LEU A 72 1.974 -1.258 -3.194 1.00 0.00 C ATOM 733 CD1 LEU A 72 2.049 0.229 -3.501 1.00 0.00 C ATOM 734 CD2 LEU A 72 1.425 -1.489 -1.795 1.00 0.00 C ATOM 0 H LEU A 72 2.242 -0.628 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 72 2.452 -3.324 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.309 -1.306 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.646 -2.839 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 72 2.983 -1.669 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.665 0.725 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.490 0.375 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.046 0.655 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.050 -0.970 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.406 -1.106 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.424 -2.557 -1.576 1.00 0.00 H new ATOM 746 N LEU A 73 0.453 -4.143 -6.544 1.00 0.00 N ATOM 747 CA LEU A 73 -0.403 -4.698 -7.588 1.00 0.00 C ATOM 748 C LEU A 73 -1.529 -5.531 -6.985 1.00 0.00 C ATOM 749 O LEU A 73 -1.374 -6.126 -5.919 1.00 0.00 O ATOM 750 CB LEU A 73 0.422 -5.555 -8.549 1.00 0.00 C ATOM 751 CG LEU A 73 1.878 -5.131 -8.747 1.00 0.00 C ATOM 752 CD1 LEU A 73 2.772 -5.792 -7.709 1.00 0.00 C ATOM 753 CD2 LEU A 73 2.347 -5.472 -10.154 1.00 0.00 C ATOM 0 H LEU A 73 0.730 -4.812 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.846 -3.868 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.410 -6.583 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.071 -5.552 -9.521 1.00 0.00 H new ATOM 0 HG LEU A 73 1.943 -4.051 -8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.804 -5.479 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.450 -5.496 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.703 -6.875 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.385 -5.163 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.267 -6.547 -10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.725 -4.950 -10.881 1.00 0.00 H new ATOM 765 N THR A 74 -2.664 -5.569 -7.675 1.00 0.00 N ATOM 766 CA THR A 74 -3.784 -6.404 -7.260 1.00 0.00 C ATOM 767 C THR A 74 -4.889 -6.407 -8.310 1.00 0.00 C ATOM 768 O THR A 74 -4.939 -5.530 -9.173 1.00 0.00 O ATOM 769 CB THR A 74 -4.369 -5.935 -5.914 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.370 -6.864 -5.475 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.992 -4.556 -6.055 1.00 0.00 C ATOM 0 H THR A 74 -2.832 -5.031 -8.525 1.00 0.00 H new ATOM 0 HA THR A 74 -3.396 -7.416 -7.144 1.00 0.00 H new ATOM 0 HB THR A 74 -3.562 -5.886 -5.182 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.093 -7.267 -4.626 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.400 -4.241 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.232 -3.844 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.792 -4.592 -6.795 1.00 0.00 H new ATOM 779 N ASP A 75 -5.772 -7.395 -8.230 1.00 0.00 N ATOM 780 CA ASP A 75 -6.980 -7.409 -9.047 1.00 0.00 C ATOM 781 C ASP A 75 -8.185 -7.859 -8.228 1.00 0.00 C ATOM 782 O ASP A 75 -8.293 -9.025 -7.849 1.00 0.00 O ATOM 783 CB ASP A 75 -6.796 -8.322 -10.262 1.00 0.00 C ATOM 784 CG ASP A 75 -7.984 -8.347 -11.215 1.00 0.00 C ATOM 785 OD1 ASP A 75 -8.995 -7.772 -10.888 1.00 0.00 O ATOM 786 OD2 ASP A 75 -7.822 -8.803 -12.322 1.00 0.00 O ATOM 0 H ASP A 75 -5.675 -8.197 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.162 -6.393 -9.397 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.911 -8.001 -10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.604 -9.337 -9.913 1.00 0.00 H new ATOM 791 N GLY A 76 -9.091 -6.926 -7.956 1.00 0.00 N ATOM 792 CA GLY A 76 -10.269 -7.241 -7.168 1.00 0.00 C ATOM 793 C GLY A 76 -9.920 -7.831 -5.816 1.00 0.00 C ATOM 794 O GLY A 76 -10.729 -8.536 -5.214 1.00 0.00 O ATOM 0 H GLY A 76 -9.031 -5.957 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.859 -6.336 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.893 -7.945 -7.718 1.00 0.00 H new ATOM 798 N GLU A 77 -8.713 -7.545 -5.340 1.00 0.00 N ATOM 799 CA GLU A 77 -8.213 -8.151 -4.113 1.00 0.00 C ATOM 800 C GLU A 77 -7.440 -7.134 -3.278 1.00 0.00 C ATOM 801 O GLU A 77 -7.355 -5.959 -3.635 1.00 0.00 O ATOM 802 CB GLU A 77 -7.325 -9.356 -4.433 1.00 0.00 C ATOM 803 CG GLU A 77 -8.056 -10.518 -5.089 1.00 0.00 C ATOM 804 CD GLU A 77 -7.117 -11.652 -5.392 1.00 0.00 C ATOM 805 OE1 GLU A 77 -5.965 -11.555 -5.043 1.00 0.00 O ATOM 806 OE2 GLU A 77 -7.574 -12.664 -5.873 1.00 0.00 O ATOM 0 H GLU A 77 -8.063 -6.897 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.070 -8.491 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.518 -9.033 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.863 -9.707 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.852 -10.868 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.530 -10.179 -6.010 1.00 0.00 H new ATOM 813 N TRP A 78 -6.879 -7.593 -2.165 1.00 0.00 N ATOM 814 CA TRP A 78 -6.021 -6.753 -1.339 1.00 0.00 C ATOM 815 C TRP A 78 -4.799 -6.286 -2.122 1.00 0.00 C ATOM 816 O TRP A 78 -4.369 -6.943 -3.069 1.00 0.00 O ATOM 817 CB TRP A 78 -5.580 -7.514 -0.088 1.00 0.00 C ATOM 818 CG TRP A 78 -4.554 -8.571 -0.367 1.00 0.00 C ATOM 819 CD1 TRP A 78 -4.410 -9.290 -1.521 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.531 -9.030 0.524 1.00 0.00 C ATOM 821 NE1 TRP A 78 -3.359 -10.168 -1.399 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.803 -10.027 -0.155 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.157 -8.694 1.827 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.727 -10.689 0.428 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.089 -9.353 2.406 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.384 -10.341 1.705 1.00 0.00 C ATOM 0 H TRP A 78 -7.003 -8.543 -1.814 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.594 -5.875 -1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.175 -6.806 0.635 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.452 -7.977 0.373 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.030 -9.184 -2.399 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.044 -10.819 -2.118 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.693 -7.932 2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.182 -11.451 -0.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.793 -9.103 3.414 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.553 -10.838 2.183 1.00 0.00 H new ATOM 837 N VAL A 79 -4.245 -5.145 -1.721 1.00 0.00 N ATOM 838 CA VAL A 79 -3.056 -4.604 -2.369 1.00 0.00 C ATOM 839 C VAL A 79 -1.786 -5.070 -1.666 1.00 0.00 C ATOM 840 O VAL A 79 -1.638 -4.903 -0.456 1.00 0.00 O ATOM 841 CB VAL A 79 -3.080 -3.064 -2.399 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.807 -2.524 -3.034 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.303 -2.565 -3.154 1.00 0.00 C ATOM 0 H VAL A 79 -4.601 -4.578 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.058 -4.977 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.135 -2.700 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.841 -1.435 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.944 -2.853 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.723 -2.897 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.304 -1.475 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.276 -2.939 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.206 -2.923 -2.661 1.00 0.00 H new ATOM 853 N TRP A 80 -0.874 -5.654 -2.433 1.00 0.00 N ATOM 854 CA TRP A 80 0.378 -6.157 -1.881 1.00 0.00 C ATOM 855 C TRP A 80 1.576 -5.541 -2.596 1.00 0.00 C ATOM 856 O TRP A 80 1.452 -5.034 -3.710 1.00 0.00 O ATOM 857 CB TRP A 80 0.432 -7.683 -1.993 1.00 0.00 C ATOM 858 CG TRP A 80 0.542 -8.172 -3.406 1.00 0.00 C ATOM 859 CD1 TRP A 80 1.690 -8.363 -4.120 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.540 -8.527 -4.275 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.387 -8.818 -5.382 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.026 -8.927 -5.501 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.930 -8.548 -4.137 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.750 -9.341 -6.579 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.700 -8.959 -5.208 1.00 0.00 C ATOM 866 CH2 TRP A 80 -2.109 -9.352 -6.416 1.00 0.00 C ATOM 0 H TRP A 80 -0.977 -5.791 -3.438 1.00 0.00 H new ATOM 0 HA TRP A 80 0.421 -5.874 -0.829 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.283 -8.052 -1.421 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.464 -8.105 -1.539 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.688 -8.183 -3.749 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.065 -9.039 -6.111 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.395 -8.248 -3.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.296 -9.643 -7.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.776 -8.978 -5.112 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.738 -9.670 -7.234 1.00 0.00 H new ATOM 877 N VAL A 81 2.736 -5.589 -1.947 1.00 0.00 N ATOM 878 CA VAL A 81 3.939 -4.964 -2.485 1.00 0.00 C ATOM 879 C VAL A 81 4.774 -5.968 -3.273 1.00 0.00 C ATOM 880 O VAL A 81 5.157 -7.014 -2.752 1.00 0.00 O ATOM 881 CB VAL A 81 4.805 -4.353 -1.369 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.055 -3.712 -1.955 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.007 -3.330 -0.573 1.00 0.00 C ATOM 0 H VAL A 81 2.868 -6.054 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 81 3.609 -4.167 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 81 5.110 -5.153 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.656 -3.285 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.638 -4.467 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.768 -2.924 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.636 -2.909 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.672 -2.533 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.141 -3.815 -0.123 1.00 0.00 H new ATOM 893 N GLU A 82 5.051 -5.640 -4.531 1.00 0.00 N ATOM 894 CA GLU A 82 5.798 -6.537 -5.406 1.00 0.00 C ATOM 895 C GLU A 82 7.105 -6.971 -4.751 1.00 0.00 C ATOM 896 O GLU A 82 7.830 -6.155 -4.182 1.00 0.00 O ATOM 897 CB GLU A 82 6.079 -5.864 -6.751 1.00 0.00 C ATOM 898 CG GLU A 82 6.818 -6.742 -7.751 1.00 0.00 C ATOM 899 CD GLU A 82 7.019 -6.029 -9.060 1.00 0.00 C ATOM 900 OE1 GLU A 82 6.578 -4.912 -9.180 1.00 0.00 O ATOM 901 OE2 GLU A 82 7.709 -6.557 -9.901 1.00 0.00 O ATOM 0 H GLU A 82 4.770 -4.762 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 82 5.189 -7.424 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.133 -5.550 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.664 -4.961 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.785 -7.031 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.255 -7.661 -7.917 1.00 0.00 H new ATOM 908 N GLY A 83 7.401 -8.265 -4.834 1.00 0.00 N ATOM 909 CA GLY A 83 8.686 -8.764 -4.380 1.00 0.00 C ATOM 910 C GLY A 83 8.617 -9.359 -2.988 1.00 0.00 C ATOM 911 O GLY A 83 9.544 -10.040 -2.550 1.00 0.00 O ATOM 0 H GLY A 83 6.773 -8.977 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.046 -9.520 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.412 -7.951 -4.389 1.00 0.00 H new ATOM 915 N TYR A 84 7.517 -9.099 -2.289 1.00 0.00 N ATOM 916 CA TYR A 84 7.345 -9.587 -0.927 1.00 0.00 C ATOM 917 C TYR A 84 6.268 -10.665 -0.866 1.00 0.00 C ATOM 918 O TYR A 84 5.580 -10.814 0.143 1.00 0.00 O ATOM 919 CB TYR A 84 6.990 -8.434 0.015 1.00 0.00 C ATOM 920 CG TYR A 84 8.064 -7.372 0.115 1.00 0.00 C ATOM 921 CD1 TYR A 84 9.212 -7.591 0.860 1.00 0.00 C ATOM 922 CD2 TYR A 84 7.923 -6.154 -0.534 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.195 -6.624 0.956 1.00 0.00 C ATOM 924 CE2 TYR A 84 8.900 -5.181 -0.447 1.00 0.00 C ATOM 925 CZ TYR A 84 10.034 -5.420 0.300 1.00 0.00 C ATOM 926 OH TYR A 84 11.011 -4.455 0.393 1.00 0.00 O ATOM 0 H TYR A 84 6.732 -8.553 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 84 8.289 -10.026 -0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.065 -7.970 -0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.797 -8.836 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 84 9.341 -8.532 1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.034 -5.963 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.084 -6.809 1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.776 -4.239 -0.961 1.00 0.00 H new ATOM 0 HH TYR A 84 10.744 -3.668 -0.127 1.00 0.00 H new ATOM 936 N GLU A 85 6.128 -11.415 -1.955 1.00 0.00 N ATOM 937 CA GLU A 85 5.245 -12.575 -1.975 1.00 0.00 C ATOM 938 C GLU A 85 5.665 -13.599 -0.926 1.00 0.00 C ATOM 939 O GLU A 85 4.848 -14.382 -0.445 1.00 0.00 O ATOM 940 CB GLU A 85 5.233 -13.216 -3.364 1.00 0.00 C ATOM 941 CG GLU A 85 4.621 -12.346 -4.453 1.00 0.00 C ATOM 942 CD GLU A 85 4.618 -13.052 -5.781 1.00 0.00 C ATOM 943 OE1 GLU A 85 5.659 -13.512 -6.189 1.00 0.00 O ATOM 944 OE2 GLU A 85 3.560 -13.232 -6.334 1.00 0.00 O ATOM 0 H GLU A 85 6.615 -11.240 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 85 4.237 -12.235 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.257 -13.463 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.681 -14.155 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.600 -12.080 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.182 -11.415 -4.535 1.00 0.00 H new ATOM 951 N GLU A 86 6.948 -13.584 -0.574 1.00 0.00 N ATOM 952 CA GLU A 86 7.461 -14.448 0.482 1.00 0.00 C ATOM 953 C GLU A 86 6.884 -14.046 1.838 1.00 0.00 C ATOM 954 O GLU A 86 6.513 -14.899 2.645 1.00 0.00 O ATOM 955 CB GLU A 86 8.989 -14.399 0.522 1.00 0.00 C ATOM 956 CG GLU A 86 9.622 -15.309 1.567 1.00 0.00 C ATOM 957 CD GLU A 86 11.121 -15.245 1.511 1.00 0.00 C ATOM 958 OE1 GLU A 86 11.637 -14.529 0.686 1.00 0.00 O ATOM 959 OE2 GLU A 86 11.753 -15.824 2.364 1.00 0.00 O ATOM 0 H GLU A 86 7.650 -12.983 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 86 7.151 -15.470 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.375 -14.671 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.302 -13.373 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.280 -15.018 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.294 -16.336 1.405 1.00 0.00 H new ATOM 966 N HIS A 87 6.815 -12.742 2.085 1.00 0.00 N ATOM 967 CA HIS A 87 6.322 -12.227 3.356 1.00 0.00 C ATOM 968 C HIS A 87 4.812 -12.412 3.466 1.00 0.00 C ATOM 969 O HIS A 87 4.261 -12.447 4.568 1.00 0.00 O ATOM 970 CB HIS A 87 6.686 -10.748 3.521 1.00 0.00 C ATOM 971 CG HIS A 87 8.147 -10.509 3.745 1.00 0.00 C ATOM 972 ND1 HIS A 87 8.706 -9.248 3.725 1.00 0.00 N ATOM 973 CD2 HIS A 87 9.163 -11.368 3.993 1.00 0.00 C ATOM 974 CE1 HIS A 87 10.004 -9.343 3.952 1.00 0.00 C ATOM 975 NE2 HIS A 87 10.307 -10.617 4.118 1.00 0.00 N ATOM 0 H HIS A 87 7.095 -12.022 1.420 1.00 0.00 H new ATOM 0 HA HIS A 87 6.800 -12.793 4.155 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.370 -10.204 2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 87 6.127 -10.337 4.361 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.089 -12.442 4.077 1.00 0.00 H new ATOM 0 HE1 HIS A 87 10.700 -8.518 3.995 1.00 0.00 H new ATOM 0 HE2 HIS A 87 11.239 -10.984 4.308 1.00 0.00 H new ATOM 983 N ILE A 88 4.148 -12.527 2.321 1.00 0.00 N ATOM 984 CA ILE A 88 2.707 -12.744 2.293 1.00 0.00 C ATOM 985 C ILE A 88 2.351 -14.141 2.787 1.00 0.00 C ATOM 986 O ILE A 88 3.028 -15.116 2.463 1.00 0.00 O ATOM 987 CB ILE A 88 2.134 -12.549 0.875 1.00 0.00 C ATOM 988 CG1 ILE A 88 2.252 -11.083 0.450 1.00 0.00 C ATOM 989 CG2 ILE A 88 0.686 -13.009 0.820 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.922 -10.842 -1.006 1.00 0.00 C ATOM 0 H ILE A 88 4.585 -12.474 1.401 1.00 0.00 H new ATOM 0 HA ILE A 88 2.264 -12.003 2.959 1.00 0.00 H new ATOM 0 HB ILE A 88 2.713 -13.156 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.587 -10.480 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.268 -10.738 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.296 -12.865 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.630 -14.065 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.092 -12.427 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.028 -9.781 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.603 -11.417 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.897 -11.154 -1.203 1.00 0.00 H new ATOM 1002 N GLY A 89 1.283 -14.231 3.572 1.00 0.00 N ATOM 1003 CA GLY A 89 0.992 -15.457 4.292 1.00 0.00 C ATOM 1004 C GLY A 89 1.527 -15.437 5.711 1.00 0.00 C ATOM 1005 O GLY A 89 1.142 -16.261 6.539 1.00 0.00 O ATOM 0 H GLY A 89 0.613 -13.477 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.086 -15.614 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.425 -16.301 3.756 1.00 0.00 H new ATOM 1009 N LYS A 90 2.421 -14.494 5.990 1.00 0.00 N ATOM 1010 CA LYS A 90 2.978 -14.341 7.329 1.00 0.00 C ATOM 1011 C LYS A 90 2.309 -13.189 8.069 1.00 0.00 C ATOM 1012 O LYS A 90 1.860 -12.221 7.452 1.00 0.00 O ATOM 1013 CB LYS A 90 4.490 -14.116 7.257 1.00 0.00 C ATOM 1014 CG LYS A 90 5.293 -15.353 6.878 1.00 0.00 C ATOM 1015 CD LYS A 90 5.343 -15.537 5.368 1.00 0.00 C ATOM 1016 CE LYS A 90 6.098 -16.803 4.990 1.00 0.00 C ATOM 1017 NZ LYS A 90 5.514 -18.013 5.630 1.00 0.00 N ATOM 0 H LYS A 90 2.775 -13.824 5.307 1.00 0.00 H new ATOM 0 HA LYS A 90 2.786 -15.261 7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.694 -13.329 6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.838 -13.755 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.306 -15.266 7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.847 -16.234 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.329 -15.584 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.825 -14.673 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.084 -16.923 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.142 -16.704 5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.882 -18.865 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.773 -18.033 6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.478 -17.988 5.540 1.00 0.00 H new ATOM 1031 N GLN A 91 2.244 -13.299 9.392 1.00 0.00 N ATOM 1032 CA GLN A 91 1.658 -12.249 10.218 1.00 0.00 C ATOM 1033 C GLN A 91 2.717 -11.240 10.648 1.00 0.00 C ATOM 1034 O GLN A 91 3.581 -11.545 11.471 1.00 0.00 O ATOM 1035 CB GLN A 91 0.983 -12.851 11.452 1.00 0.00 C ATOM 1036 CG GLN A 91 0.370 -11.824 12.390 1.00 0.00 C ATOM 1037 CD GLN A 91 -0.800 -11.091 11.761 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -1.747 -11.711 11.270 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -0.738 -9.764 11.769 1.00 0.00 N ATOM 0 H GLN A 91 2.590 -14.104 9.915 1.00 0.00 H new ATOM 0 HA GLN A 91 0.908 -11.732 9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.204 -13.540 11.126 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.717 -13.438 12.004 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.036 -12.321 13.301 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.133 -11.102 12.682 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.065 -9.293 12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.493 -9.216 11.358 1.00 0.00 H new ATOM 1048 N LEU A 92 2.646 -10.040 10.087 1.00 0.00 N ATOM 1049 CA LEU A 92 3.611 -8.990 10.395 1.00 0.00 C ATOM 1050 C LEU A 92 2.914 -7.753 10.951 1.00 0.00 C ATOM 1051 O LEU A 92 1.748 -7.488 10.664 1.00 0.00 O ATOM 1052 CB LEU A 92 4.425 -8.630 9.146 1.00 0.00 C ATOM 1053 CG LEU A 92 5.214 -9.790 8.524 1.00 0.00 C ATOM 1054 CD1 LEU A 92 5.857 -9.342 7.219 1.00 0.00 C ATOM 1055 CD2 LEU A 92 6.269 -10.272 9.507 1.00 0.00 C ATOM 0 H LEU A 92 1.929 -9.768 9.415 1.00 0.00 H new ATOM 0 HA LEU A 92 4.291 -9.367 11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.747 -8.228 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.123 -7.834 9.404 1.00 0.00 H new ATOM 0 HG LEU A 92 4.536 -10.615 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.415 -10.172 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.082 -9.022 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.535 -8.511 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.829 -11.096 9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.950 -9.454 9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.785 -10.612 10.422 1.00 0.00 H new ATOM 1067 N PRO A 93 3.645 -6.977 11.765 1.00 0.00 N ATOM 1068 CA PRO A 93 3.141 -5.716 12.320 1.00 0.00 C ATOM 1069 C PRO A 93 2.977 -4.638 11.255 1.00 0.00 C ATOM 1070 O PRO A 93 3.593 -4.704 10.191 1.00 0.00 O ATOM 1071 CB PRO A 93 4.191 -5.329 13.366 1.00 0.00 C ATOM 1072 CG PRO A 93 5.454 -5.947 12.874 1.00 0.00 C ATOM 1073 CD PRO A 93 5.038 -7.244 12.233 1.00 0.00 C ATOM 0 HA PRO A 93 2.144 -5.825 12.747 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.286 -4.246 13.451 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.924 -5.704 14.354 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.957 -5.297 12.157 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.153 -6.119 13.693 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.695 -7.510 11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.070 -8.070 12.943 1.00 0.00 H new ATOM 1081 N LEU A 94 2.146 -3.644 11.549 1.00 0.00 N ATOM 1082 CA LEU A 94 1.946 -2.520 10.641 1.00 0.00 C ATOM 1083 C LEU A 94 3.280 -1.876 10.272 1.00 0.00 C ATOM 1084 O LEU A 94 3.443 -1.352 9.171 1.00 0.00 O ATOM 1085 CB LEU A 94 1.010 -1.484 11.275 1.00 0.00 C ATOM 1086 CG LEU A 94 0.652 -0.292 10.378 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -0.074 -0.776 9.131 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -0.211 0.691 11.157 1.00 0.00 C ATOM 0 H LEU A 94 1.600 -3.594 12.409 1.00 0.00 H new ATOM 0 HA LEU A 94 1.485 -2.896 9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.088 -1.984 11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.475 -1.106 12.185 1.00 0.00 H new ATOM 0 HG LEU A 94 1.565 0.214 10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.324 0.078 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.570 -1.460 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.989 -1.293 9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.465 1.537 10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.125 0.194 11.482 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.338 1.046 12.029 1.00 0.00 H new ATOM 1100 N ASN A 95 4.231 -1.921 11.200 1.00 0.00 N ATOM 1101 CA ASN A 95 5.574 -1.414 10.944 1.00 0.00 C ATOM 1102 C ASN A 95 6.281 -2.256 9.886 1.00 0.00 C ATOM 1103 O ASN A 95 7.071 -1.742 9.097 1.00 0.00 O ATOM 1104 CB ASN A 95 6.400 -1.361 12.215 1.00 0.00 C ATOM 1105 CG ASN A 95 5.991 -0.261 13.157 1.00 0.00 C ATOM 1106 OD1 ASN A 95 5.353 0.719 12.759 1.00 0.00 O ATOM 1107 ND2 ASN A 95 6.428 -0.379 14.385 1.00 0.00 N ATOM 0 H ASN A 95 4.096 -2.303 12.136 1.00 0.00 H new ATOM 0 HA ASN A 95 5.472 -0.396 10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.319 -2.318 12.731 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.449 -1.229 11.951 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.246 0.360 15.064 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.951 -1.210 14.663 1.00 0.00 H new ATOM 1114 N GLN A 96 5.991 -3.553 9.880 1.00 0.00 N ATOM 1115 CA GLN A 96 6.637 -4.475 8.953 1.00 0.00 C ATOM 1116 C GLN A 96 5.611 -5.123 8.027 1.00 0.00 C ATOM 1117 O GLN A 96 5.833 -6.218 7.511 1.00 0.00 O ATOM 1118 CB GLN A 96 7.402 -5.558 9.719 1.00 0.00 C ATOM 1119 CG GLN A 96 8.537 -5.028 10.577 1.00 0.00 C ATOM 1120 CD GLN A 96 9.651 -4.412 9.750 1.00 0.00 C ATOM 1121 OE1 GLN A 96 10.071 -4.974 8.734 1.00 0.00 O ATOM 1122 NE2 GLN A 96 10.137 -3.255 10.182 1.00 0.00 N ATOM 0 H GLN A 96 5.314 -3.989 10.506 1.00 0.00 H new ATOM 0 HA GLN A 96 7.341 -3.904 8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.703 -6.100 10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.806 -6.276 9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.147 -4.282 11.269 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.943 -5.841 11.180 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.759 -2.827 11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.888 -2.794 9.669 1.00 0.00 H new ATOM 1131 N ALA A 97 4.491 -4.439 7.821 1.00 0.00 N ATOM 1132 CA ALA A 97 3.479 -4.896 6.877 1.00 0.00 C ATOM 1133 C ALA A 97 3.930 -4.671 5.437 1.00 0.00 C ATOM 1134 O ALA A 97 4.590 -3.676 5.134 1.00 0.00 O ATOM 1135 CB ALA A 97 2.157 -4.188 7.136 1.00 0.00 C ATOM 0 H ALA A 97 4.261 -3.566 8.295 1.00 0.00 H new ATOM 0 HA ALA A 97 3.339 -5.967 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.411 -4.539 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.821 -4.404 8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.291 -3.113 7.020 1.00 0.00 H new ATOM 1141 N ARG A 98 3.569 -5.598 4.558 1.00 0.00 N ATOM 1142 CA ARG A 98 3.907 -5.482 3.145 1.00 0.00 C ATOM 1143 C ARG A 98 2.682 -5.735 2.270 1.00 0.00 C ATOM 1144 O ARG A 98 2.804 -6.181 1.128 1.00 0.00 O ATOM 1145 CB ARG A 98 5.069 -6.383 2.756 1.00 0.00 C ATOM 1146 CG ARG A 98 6.369 -6.104 3.492 1.00 0.00 C ATOM 1147 CD ARG A 98 6.984 -4.789 3.175 1.00 0.00 C ATOM 1148 NE ARG A 98 8.282 -4.566 3.789 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.467 -4.074 5.031 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.446 -3.718 5.776 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.706 -3.936 5.469 1.00 0.00 N ATOM 0 H ARG A 98 3.043 -6.438 4.799 1.00 0.00 H new ATOM 0 HA ARG A 98 4.238 -4.458 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.782 -7.419 2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.246 -6.282 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.183 -6.155 4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.083 -6.892 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.088 -4.702 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.305 -3.998 3.494 1.00 0.00 H new ATOM 0 HE ARG A 98 9.111 -4.798 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.496 -3.812 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.603 -3.348 6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.490 -4.199 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.878 -3.567 6.404 1.00 0.00 H new ATOM 1165 N ALA A 99 1.504 -5.448 2.813 1.00 0.00 N ATOM 1166 CA ALA A 99 0.264 -5.582 2.061 1.00 0.00 C ATOM 1167 C ALA A 99 -0.927 -5.083 2.873 1.00 0.00 C ATOM 1168 O ALA A 99 -0.887 -5.061 4.104 1.00 0.00 O ATOM 1169 CB ALA A 99 0.051 -7.031 1.647 1.00 0.00 C ATOM 0 H ALA A 99 1.383 -5.121 3.772 1.00 0.00 H new ATOM 0 HA ALA A 99 0.344 -4.967 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.880 -7.116 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.883 -7.357 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.003 -7.659 2.536 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.984 -4.679 2.178 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.151 -4.096 2.830 1.00 0.00 C ATOM 1177 C TRP A 100 -4.418 -4.370 2.029 1.00 0.00 C ATOM 1178 O TRP A 100 -4.357 -4.655 0.832 1.00 0.00 O ATOM 1179 CB TRP A 100 -2.962 -2.588 3.015 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.771 -2.233 3.851 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.763 -1.966 5.188 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.414 -2.105 3.409 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.488 -1.679 5.606 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.359 -1.759 4.530 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.221 -2.251 2.168 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.729 -1.556 4.454 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.593 -2.047 2.093 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.326 -1.711 3.203 1.00 0.00 C ATOM 0 H TRP A 100 -2.057 -4.744 1.163 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.257 -4.562 3.810 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -2.861 -2.120 2.036 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.857 -2.172 3.477 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.634 -1.979 5.826 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.215 -1.445 6.560 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.345 -2.517 1.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.308 -1.289 5.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.093 -2.155 1.142 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.391 -1.563 3.106 1.00 0.00 H new ATOM 1199 N SER A 101 -5.566 -4.285 2.694 1.00 0.00 N ATOM 1200 CA SER A 101 -6.844 -4.559 2.050 1.00 0.00 C ATOM 1201 C SER A 101 -7.502 -3.266 1.576 1.00 0.00 C ATOM 1202 O SER A 101 -7.348 -2.214 2.196 1.00 0.00 O ATOM 1203 CB SER A 101 -7.760 -5.304 3.002 1.00 0.00 C ATOM 1204 OG SER A 101 -9.052 -5.452 2.480 1.00 0.00 O ATOM 0 H SER A 101 -5.636 -4.028 3.679 1.00 0.00 H new ATOM 0 HA SER A 101 -6.662 -5.185 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.340 -6.287 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.811 -4.768 3.950 1.00 0.00 H new ATOM 0 HG SER A 101 -9.611 -5.938 3.122 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.235 -3.354 0.472 1.00 0.00 N ATOM 1211 CA TRP A 102 -9.072 -2.247 0.021 1.00 0.00 C ATOM 1212 C TRP A 102 -10.043 -1.818 1.116 1.00 0.00 C ATOM 1213 O TRP A 102 -10.431 -0.653 1.190 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.846 -2.647 -1.237 1.00 0.00 C ATOM 1215 CG TRP A 102 -9.108 -2.350 -2.507 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.671 -3.256 -3.431 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.719 -1.060 -2.991 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -8.035 -2.606 -4.461 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -8.050 -1.259 -4.216 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.871 0.243 -2.512 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.536 -0.203 -4.962 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -8.360 1.290 -3.253 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.699 1.063 -4.468 1.00 0.00 C ATOM 0 H TRP A 102 -8.267 -4.179 -0.127 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.422 -1.404 -0.213 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -10.068 -3.713 -1.195 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.802 -2.123 -1.249 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.806 -4.325 -3.362 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.619 -3.055 -5.277 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.380 0.429 -1.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -7.026 -0.376 -5.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.472 2.301 -2.890 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.311 1.903 -5.025 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.432 -2.767 1.962 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.256 -2.461 3.124 1.00 0.00 C ATOM 1236 C GLU A 103 -10.500 -1.572 4.109 1.00 0.00 C ATOM 1237 O GLU A 103 -11.105 -0.809 4.864 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.709 -3.748 3.818 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.704 -4.575 3.016 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.951 -3.792 2.718 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -14.535 -3.268 3.635 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.259 -3.620 1.562 1.00 0.00 O ATOM 0 H GLU A 103 -10.190 -3.753 1.864 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.137 -1.921 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.833 -4.361 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.158 -3.491 4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.243 -4.897 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.962 -5.476 3.572 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.177 -1.675 4.094 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.334 -0.830 4.932 1.00 0.00 C ATOM 1251 C PHE A 104 -8.099 0.527 4.272 1.00 0.00 C ATOM 1252 O PHE A 104 -8.143 1.565 4.931 1.00 0.00 O ATOM 1253 CB PHE A 104 -6.997 -1.519 5.216 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.081 -0.721 6.098 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.273 -0.686 7.471 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.024 -0.003 5.559 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.430 0.047 8.285 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.180 0.730 6.368 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.383 0.755 7.734 1.00 0.00 C ATOM 0 H PHE A 104 -8.664 -2.336 3.510 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.851 -0.668 5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.188 -2.484 5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.493 -1.718 4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.091 -1.238 7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.859 -0.018 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.591 0.065 9.353 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.361 1.284 5.933 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.723 1.328 8.369 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.846 0.506 2.968 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.630 1.735 2.213 1.00 0.00 C ATOM 1271 C ILE A 105 -8.849 2.647 2.286 1.00 0.00 C ATOM 1272 O ILE A 105 -8.726 3.852 2.509 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.306 1.442 0.736 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.944 0.750 0.617 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.327 2.727 -0.078 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.667 0.184 -0.757 1.00 0.00 C ATOM 0 H ILE A 105 -7.785 -0.347 2.412 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.777 2.238 2.668 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.069 0.772 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.160 1.464 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.891 -0.055 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.096 2.502 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.316 3.181 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.584 3.420 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.685 -0.290 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.429 -0.555 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.687 0.988 -1.493 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.029 2.065 2.097 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.271 2.830 2.114 1.00 0.00 C ATOM 1290 C LYS A 106 -11.584 3.329 3.520 1.00 0.00 C ATOM 1291 O LYS A 106 -12.032 4.460 3.701 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.429 1.983 1.584 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.388 1.729 0.083 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.486 0.768 -0.346 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.863 1.400 -0.205 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.943 0.491 -0.677 1.00 0.00 N ATOM 0 H LYS A 106 -10.151 1.066 1.930 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.143 3.695 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.429 1.024 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.368 2.478 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.499 2.673 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.416 1.320 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.326 0.469 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.436 -0.137 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.038 1.660 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.896 2.329 -0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.865 0.959 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.791 0.263 -1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.929 -0.385 -0.117 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.341 2.478 4.513 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.597 2.834 5.903 1.00 0.00 C ATOM 1312 C ASN A 107 -10.871 4.124 6.277 1.00 0.00 C ATOM 1313 O ASN A 107 -11.409 4.965 6.997 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.199 1.714 6.847 1.00 0.00 C ATOM 1315 CG ASN A 107 -11.573 1.969 8.281 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -12.754 2.082 8.625 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -10.569 2.141 9.103 1.00 0.00 N ATOM 0 H ASN A 107 -10.968 1.538 4.380 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.670 2.995 6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.671 0.788 6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.121 1.563 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.744 2.380 10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.611 2.036 8.768 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.648 4.274 5.779 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.876 5.490 6.003 1.00 0.00 C ATOM 1326 C ARG A 108 -9.342 6.609 5.077 1.00 0.00 C ATOM 1327 O ARG A 108 -9.335 7.783 5.451 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.378 5.251 5.882 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.757 4.479 7.035 1.00 0.00 C ATOM 1330 CD ARG A 108 -5.297 4.243 6.899 1.00 0.00 C ATOM 1331 NE ARG A 108 -4.481 5.443 6.991 1.00 0.00 N ATOM 1332 CZ ARG A 108 -4.143 6.051 8.145 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -4.578 5.601 9.300 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -3.382 7.130 8.082 1.00 0.00 N ATOM 0 H ARG A 108 -9.171 3.569 5.218 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.059 5.805 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.185 4.710 4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.877 6.215 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.940 5.024 7.961 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.261 3.517 7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.981 3.544 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.107 3.763 5.939 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.141 5.853 6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.181 4.779 9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.312 6.073 10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.068 7.480 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.109 7.612 8.938 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.746 6.238 3.867 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.186 7.213 2.876 1.00 0.00 C ATOM 1350 C LEU A 109 -11.537 7.808 3.256 1.00 0.00 C ATOM 1351 O LEU A 109 -11.798 8.987 3.019 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.259 6.563 1.488 1.00 0.00 C ATOM 1353 CG LEU A 109 -10.609 7.517 0.337 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.574 8.631 0.252 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -10.673 6.738 -0.967 1.00 0.00 C ATOM 0 H LEU A 109 -9.778 5.269 3.549 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.457 8.023 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.298 6.096 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.002 5.766 1.516 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.583 7.970 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.830 9.303 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.562 9.188 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.589 8.200 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.922 7.416 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.706 6.274 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.438 5.965 -0.892 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.392 6.984 3.851 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.678 7.451 4.358 1.00 0.00 C ATOM 1369 C LYS A 110 -13.486 8.508 5.439 1.00 0.00 C ATOM 1370 O LYS A 110 -14.275 9.446 5.550 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.498 6.281 4.903 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.045 5.345 3.833 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.840 4.203 4.451 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.379 3.261 3.384 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.132 2.123 3.976 1.00 0.00 N ATOM 0 H LYS A 110 -12.218 5.989 3.994 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.222 7.903 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.876 5.706 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.332 6.676 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.681 5.905 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.221 4.941 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.205 3.648 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.668 4.607 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.030 3.814 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.551 2.877 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.482 1.505 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.504 1.580 4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.937 2.487 4.524 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.433 8.349 6.235 1.00 0.00 N ATOM 1390 CA GLU A 111 -12.113 9.316 7.278 1.00 0.00 C ATOM 1391 C GLU A 111 -11.637 10.634 6.671 1.00 0.00 C ATOM 1392 O GLU A 111 -11.769 11.695 7.283 1.00 0.00 O ATOM 1393 CB GLU A 111 -11.047 8.755 8.222 1.00 0.00 C ATOM 1394 CG GLU A 111 -11.531 7.619 9.112 1.00 0.00 C ATOM 1395 CD GLU A 111 -10.410 7.063 9.947 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -9.300 7.512 9.791 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -10.682 6.272 10.818 1.00 0.00 O ATOM 0 H GLU A 111 -11.788 7.561 6.177 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.021 9.508 7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.203 8.402 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.677 9.563 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.328 7.978 9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.956 6.827 8.495 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.087 10.558 5.466 1.00 0.00 N ATOM 1405 CA LEU A 112 -10.625 11.748 4.759 1.00 0.00 C ATOM 1406 C LEU A 112 -11.796 12.483 4.113 1.00 0.00 C ATOM 1407 O LEU A 112 -11.751 13.698 3.929 1.00 0.00 O ATOM 1408 CB LEU A 112 -9.581 11.366 3.700 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.282 10.770 4.251 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -7.375 10.343 3.104 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.586 11.794 5.136 1.00 0.00 C ATOM 0 H LEU A 112 -10.949 9.685 4.957 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.160 12.418 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.029 10.648 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.336 12.254 3.117 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.513 9.889 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.454 9.921 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.884 9.593 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.137 11.209 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.662 11.368 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.356 12.684 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.241 12.064 5.965 1.00 0.00 H new