USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 729 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 59 GLN :FLIP amide:sc= -4.39! C(o=-5.7!,f=-4.4!) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.495 K(o=-0.49,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 30:sc= 0.201 USER MOD Single : A 22 ASN : amide:sc= -0.35 K(o=-0.35,f=-1.5) USER MOD Single : A 23 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0.99 (180deg=0.812) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 15:sc= -0.643 USER MOD Single : A 57 HIS : no HE2:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 63 ASN : amide:sc= -1.68 K(o=-1.7,f=-5.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.853 K(o=-0.85,f=-2.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0436) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= 0.00902 (180deg=-0.00614) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.0991 USER MOD Single : A 81 CYS SG : rot 10:sc= -0.605 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.63) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.557 F(o=-2.7!,f=-0.56) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 75:sc= 0.0958 USER MOD Single : A 98 SER OG : rot -38:sc= 0.102 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.17) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.36 (180deg=-2.3) USER MOD Single : A 107 CYS SG : rot 29:sc= 0.322 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 16.223 -2.177 0.283 1.00 23.20 N ATOM 148 CA GLN A 12 16.213 -1.060 1.220 1.00 74.31 C ATOM 149 C GLN A 12 14.810 -0.480 1.362 1.00 62.33 C ATOM 150 O GLN A 12 13.940 -0.681 0.514 1.00 73.15 O ATOM 151 CB GLN A 12 17.184 0.029 0.760 1.00 51.22 C ATOM 152 CG GLN A 12 18.603 -0.166 1.270 1.00 43.45 C ATOM 153 CD GLN A 12 19.618 0.657 0.501 1.00 50.14 C ATOM 154 OE1 GLN A 12 19.734 1.866 0.703 1.00 71.32 O ATOM 155 NE2 GLN A 12 20.359 0.005 -0.388 1.00 71.31 N ATOM 0 HA GLN A 12 16.532 -1.433 2.193 1.00 74.31 H new ATOM 0 HB2 GLN A 12 17.199 0.054 -0.330 1.00 51.22 H new ATOM 0 HB3 GLN A 12 16.816 0.998 1.096 1.00 51.22 H new ATOM 0 HG2 GLN A 12 18.646 0.104 2.325 1.00 43.45 H new ATOM 0 HG3 GLN A 12 18.868 -1.221 1.200 1.00 43.45 H new ATOM 0 HE21 GLN A 12 20.229 -0.998 -0.523 1.00 71.31 H new ATOM 0 HE22 GLN A 12 21.058 0.507 -0.936 1.00 71.31 H new ATOM 164 N PRO A 13 14.582 0.258 2.459 1.00 25.32 N ATOM 165 CA PRO A 13 13.285 0.883 2.736 1.00 72.21 C ATOM 166 C PRO A 13 12.978 2.031 1.781 1.00 71.32 C ATOM 167 O PRO A 13 13.886 2.710 1.299 1.00 31.44 O ATOM 168 CB PRO A 13 13.443 1.404 4.167 1.00 22.55 C ATOM 169 CG PRO A 13 14.909 1.606 4.338 1.00 62.22 C ATOM 170 CD PRO A 13 15.572 0.540 3.511 1.00 10.30 C ATOM 0 HA PRO A 13 12.459 0.183 2.611 1.00 72.21 H new ATOM 0 HB2 PRO A 13 12.896 2.335 4.312 1.00 22.55 H new ATOM 0 HB3 PRO A 13 13.055 0.690 4.893 1.00 22.55 H new ATOM 0 HG2 PRO A 13 15.208 2.600 4.005 1.00 62.22 H new ATOM 0 HG3 PRO A 13 15.195 1.521 5.386 1.00 62.22 H new ATOM 0 HD2 PRO A 13 16.516 0.887 3.091 1.00 10.30 H new ATOM 0 HD3 PRO A 13 15.793 -0.348 4.103 1.00 10.30 H new ATOM 178 N HIS A 14 11.694 2.243 1.512 1.00 61.04 N ATOM 179 CA HIS A 14 11.268 3.310 0.614 1.00 70.22 C ATOM 180 C HIS A 14 10.031 4.019 1.160 1.00 53.13 C ATOM 181 O HIS A 14 9.505 3.650 2.211 1.00 61.22 O ATOM 182 CB HIS A 14 10.975 2.749 -0.778 1.00 2.00 C ATOM 183 CG HIS A 14 12.185 2.203 -1.470 1.00 43.24 C ATOM 184 ND1 HIS A 14 12.581 0.885 -1.366 1.00 73.42 N ATOM 185 CD2 HIS A 14 13.087 2.802 -2.282 1.00 61.33 C ATOM 186 CE1 HIS A 14 13.676 0.699 -2.082 1.00 61.42 C ATOM 187 NE2 HIS A 14 14.003 1.847 -2.648 1.00 21.41 N ATOM 0 H HIS A 14 10.931 1.690 1.903 1.00 61.04 H new ATOM 0 HA HIS A 14 12.079 4.035 0.542 1.00 70.22 H new ATOM 0 HB2 HIS A 14 10.228 1.960 -0.693 1.00 2.00 H new ATOM 0 HB3 HIS A 14 10.539 3.536 -1.393 1.00 2.00 H new ATOM 0 HD2 HIS A 14 13.086 3.838 -2.586 1.00 61.33 H new ATOM 0 HE1 HIS A 14 14.212 -0.233 -2.187 1.00 61.42 H new ATOM 0 HE2 HIS A 14 14.806 1.999 -3.258 1.00 21.41 H new ATOM 195 N LYS A 15 9.573 5.037 0.442 1.00 63.44 N ATOM 196 CA LYS A 15 8.398 5.798 0.852 1.00 54.24 C ATOM 197 C LYS A 15 7.180 5.408 0.023 1.00 65.34 C ATOM 198 O LYS A 15 6.191 6.139 -0.027 1.00 63.54 O ATOM 199 CB LYS A 15 8.664 7.299 0.715 1.00 24.21 C ATOM 200 CG LYS A 15 9.247 7.693 -0.631 1.00 43.44 C ATOM 201 CD LYS A 15 10.666 8.217 -0.492 1.00 53.14 C ATOM 202 CE LYS A 15 11.115 8.952 -1.746 1.00 21.01 C ATOM 203 NZ LYS A 15 12.553 9.331 -1.683 1.00 14.12 N ATOM 0 H LYS A 15 9.998 5.356 -0.429 1.00 63.44 H new ATOM 0 HA LYS A 15 8.192 5.566 1.897 1.00 54.24 H new ATOM 0 HB2 LYS A 15 7.731 7.840 0.870 1.00 24.21 H new ATOM 0 HB3 LYS A 15 9.348 7.612 1.504 1.00 24.21 H new ATOM 0 HG2 LYS A 15 9.240 6.831 -1.298 1.00 43.44 H new ATOM 0 HG3 LYS A 15 8.620 8.457 -1.091 1.00 43.44 H new ATOM 0 HD2 LYS A 15 10.725 8.888 0.365 1.00 53.14 H new ATOM 0 HD3 LYS A 15 11.344 7.387 -0.294 1.00 53.14 H new ATOM 0 HE2 LYS A 15 10.944 8.320 -2.618 1.00 21.01 H new ATOM 0 HE3 LYS A 15 10.509 9.848 -1.878 1.00 21.01 H new ATOM 0 HZ1 LYS A 15 12.819 9.830 -2.556 1.00 14.12 H new ATOM 0 HZ2 LYS A 15 12.712 9.955 -0.866 1.00 14.12 H new ATOM 0 HZ3 LYS A 15 13.134 8.474 -1.583 1.00 14.12 H new ATOM 217 N ARG A 16 7.258 4.250 -0.627 1.00 62.41 N ATOM 218 CA ARG A 16 6.161 3.764 -1.455 1.00 24.33 C ATOM 219 C ARG A 16 5.985 2.257 -1.292 1.00 64.31 C ATOM 220 O ARG A 16 6.925 1.488 -1.491 1.00 1.20 O ATOM 221 CB ARG A 16 6.413 4.104 -2.925 1.00 12.50 C ATOM 222 CG ARG A 16 6.828 5.548 -3.154 1.00 4.42 C ATOM 223 CD ARG A 16 7.257 5.782 -4.594 1.00 60.42 C ATOM 224 NE ARG A 16 8.707 5.711 -4.751 1.00 74.45 N ATOM 225 CZ ARG A 16 9.336 5.965 -5.894 1.00 11.41 C ATOM 226 NH1 ARG A 16 8.645 6.304 -6.973 1.00 21.04 N ATOM 227 NH2 ARG A 16 10.658 5.879 -5.958 1.00 74.54 N ATOM 0 H ARG A 16 8.069 3.632 -0.596 1.00 62.41 H new ATOM 0 HA ARG A 16 5.245 4.257 -1.128 1.00 24.33 H new ATOM 0 HB2 ARG A 16 7.190 3.446 -3.313 1.00 12.50 H new ATOM 0 HB3 ARG A 16 5.508 3.900 -3.497 1.00 12.50 H new ATOM 0 HG2 ARG A 16 5.997 6.210 -2.908 1.00 4.42 H new ATOM 0 HG3 ARG A 16 7.648 5.803 -2.483 1.00 4.42 H new ATOM 0 HD2 ARG A 16 6.786 5.039 -5.238 1.00 60.42 H new ATOM 0 HD3 ARG A 16 6.904 6.759 -4.923 1.00 60.42 H new ATOM 0 HE ARG A 16 9.268 5.452 -3.939 1.00 74.45 H new ATOM 0 HH11 ARG A 16 7.628 6.370 -6.927 1.00 21.04 H new ATOM 0 HH12 ARG A 16 9.130 6.498 -7.849 1.00 21.04 H new ATOM 0 HH21 ARG A 16 11.193 5.618 -5.130 1.00 74.54 H new ATOM 0 HH22 ARG A 16 11.140 6.074 -6.836 1.00 74.54 H new ATOM 241 N TRP A 17 4.776 1.844 -0.930 1.00 65.11 N ATOM 242 CA TRP A 17 4.476 0.428 -0.742 1.00 72.50 C ATOM 243 C TRP A 17 3.021 0.129 -1.085 1.00 61.44 C ATOM 244 O TRP A 17 2.117 0.869 -0.697 1.00 64.42 O ATOM 245 CB TRP A 17 4.769 0.013 0.702 1.00 63.24 C ATOM 246 CG TRP A 17 6.233 -0.091 1.004 1.00 21.21 C ATOM 247 CD1 TRP A 17 7.025 0.872 1.560 1.00 34.20 C ATOM 248 CD2 TRP A 17 7.080 -1.221 0.766 1.00 2.41 C ATOM 249 NE1 TRP A 17 8.313 0.410 1.682 1.00 54.15 N ATOM 250 CE2 TRP A 17 8.373 -0.872 1.203 1.00 3.44 C ATOM 251 CE3 TRP A 17 6.870 -2.494 0.228 1.00 34.40 C ATOM 252 CZ2 TRP A 17 9.449 -1.752 1.116 1.00 20.41 C ATOM 253 CZ3 TRP A 17 7.940 -3.365 0.143 1.00 1.04 C ATOM 254 CH2 TRP A 17 9.216 -2.991 0.586 1.00 45.34 C ATOM 0 H TRP A 17 3.987 2.468 -0.761 1.00 65.11 H new ATOM 0 HA TRP A 17 5.113 -0.146 -1.415 1.00 72.50 H new ATOM 0 HB2 TRP A 17 4.316 0.737 1.380 1.00 63.24 H new ATOM 0 HB3 TRP A 17 4.295 -0.949 0.899 1.00 63.24 H new ATOM 0 HD1 TRP A 17 6.688 1.853 1.860 1.00 34.20 H new ATOM 0 HE1 TRP A 17 9.097 0.936 2.067 1.00 54.15 H new ATOM 0 HE3 TRP A 17 5.890 -2.791 -0.115 1.00 34.40 H new ATOM 0 HZ2 TRP A 17 10.434 -1.466 1.455 1.00 20.41 H new ATOM 0 HZ3 TRP A 17 7.790 -4.351 -0.272 1.00 1.04 H new ATOM 0 HH2 TRP A 17 10.031 -3.695 0.507 1.00 45.34 H new ATOM 265 N VAL A 18 2.803 -0.960 -1.814 1.00 4.31 N ATOM 266 CA VAL A 18 1.457 -1.358 -2.209 1.00 5.24 C ATOM 267 C VAL A 18 0.998 -2.589 -1.436 1.00 21.10 C ATOM 268 O VAL A 18 1.812 -3.316 -0.865 1.00 44.35 O ATOM 269 CB VAL A 18 1.379 -1.654 -3.718 1.00 45.52 C ATOM 270 CG1 VAL A 18 1.765 -0.424 -4.525 1.00 50.54 C ATOM 271 CG2 VAL A 18 2.267 -2.836 -4.075 1.00 12.44 C ATOM 0 H VAL A 18 3.541 -1.583 -2.143 1.00 4.31 H new ATOM 0 HA VAL A 18 0.799 -0.521 -1.976 1.00 5.24 H new ATOM 0 HB VAL A 18 0.350 -1.913 -3.967 1.00 45.52 H new ATOM 0 HG11 VAL A 18 1.704 -0.653 -5.589 1.00 50.54 H new ATOM 0 HG12 VAL A 18 1.084 0.394 -4.290 1.00 50.54 H new ATOM 0 HG13 VAL A 18 2.784 -0.130 -4.275 1.00 50.54 H new ATOM 0 HG21 VAL A 18 2.200 -3.031 -5.145 1.00 12.44 H new ATOM 0 HG22 VAL A 18 3.300 -2.608 -3.812 1.00 12.44 H new ATOM 0 HG23 VAL A 18 1.939 -3.717 -3.524 1.00 12.44 H new ATOM 281 N PHE A 19 -0.310 -2.818 -1.420 1.00 5.20 N ATOM 282 CA PHE A 19 -0.878 -3.962 -0.716 1.00 3.43 C ATOM 283 C PHE A 19 -1.946 -4.648 -1.563 1.00 62.43 C ATOM 284 O PHE A 19 -2.695 -3.992 -2.289 1.00 44.43 O ATOM 285 CB PHE A 19 -1.478 -3.519 0.620 1.00 42.41 C ATOM 286 CG PHE A 19 -2.474 -2.403 0.490 1.00 45.31 C ATOM 287 CD1 PHE A 19 -2.050 -1.090 0.359 1.00 52.21 C ATOM 288 CD2 PHE A 19 -3.834 -2.666 0.497 1.00 24.11 C ATOM 289 CE1 PHE A 19 -2.964 -0.060 0.238 1.00 2.34 C ATOM 290 CE2 PHE A 19 -4.752 -1.641 0.376 1.00 24.04 C ATOM 291 CZ PHE A 19 -4.318 -0.336 0.248 1.00 75.14 C ATOM 0 H PHE A 19 -0.998 -2.226 -1.887 1.00 5.20 H new ATOM 0 HA PHE A 19 -0.075 -4.675 -0.528 1.00 3.43 H new ATOM 0 HB2 PHE A 19 -1.962 -4.374 1.093 1.00 42.41 H new ATOM 0 HB3 PHE A 19 -0.673 -3.201 1.283 1.00 42.41 H new ATOM 0 HD1 PHE A 19 -0.993 -0.869 0.351 1.00 52.21 H new ATOM 0 HD2 PHE A 19 -4.180 -3.684 0.598 1.00 24.11 H new ATOM 0 HE1 PHE A 19 -2.620 0.959 0.136 1.00 2.34 H new ATOM 0 HE2 PHE A 19 -5.810 -1.860 0.381 1.00 24.04 H new ATOM 0 HZ PHE A 19 -5.035 0.466 0.156 1.00 75.14 H new ATOM 301 N THR A 20 -2.010 -5.972 -1.467 1.00 4.33 N ATOM 302 CA THR A 20 -2.984 -6.747 -2.225 1.00 4.24 C ATOM 303 C THR A 20 -3.378 -8.016 -1.479 1.00 52.31 C ATOM 304 O THR A 20 -2.519 -8.787 -1.048 1.00 2.25 O ATOM 305 CB THR A 20 -2.439 -7.130 -3.614 1.00 34.21 C ATOM 306 OG1 THR A 20 -1.331 -8.026 -3.475 1.00 70.01 O ATOM 307 CG2 THR A 20 -2.005 -5.893 -4.385 1.00 33.11 C ATOM 0 H THR A 20 -1.398 -6.530 -0.871 1.00 4.33 H new ATOM 0 HA THR A 20 -3.863 -6.114 -2.349 1.00 4.24 H new ATOM 0 HB THR A 20 -3.236 -7.623 -4.170 1.00 34.21 H new ATOM 0 HG1 THR A 20 -1.440 -8.558 -2.659 1.00 70.01 H new ATOM 0 HG21 THR A 20 -1.624 -6.189 -5.362 1.00 33.11 H new ATOM 0 HG22 THR A 20 -2.858 -5.227 -4.514 1.00 33.11 H new ATOM 0 HG23 THR A 20 -1.222 -5.376 -3.831 1.00 33.11 H new ATOM 315 N LEU A 21 -4.681 -8.229 -1.328 1.00 50.45 N ATOM 316 CA LEU A 21 -5.188 -9.407 -0.634 1.00 45.41 C ATOM 317 C LEU A 21 -6.421 -9.966 -1.339 1.00 62.44 C ATOM 318 O LEU A 21 -7.304 -9.216 -1.755 1.00 55.15 O ATOM 319 CB LEU A 21 -5.530 -9.061 0.816 1.00 25.11 C ATOM 320 CG LEU A 21 -6.033 -10.216 1.682 1.00 63.25 C ATOM 321 CD1 LEU A 21 -4.930 -10.710 2.605 1.00 10.53 C ATOM 322 CD2 LEU A 21 -7.253 -9.789 2.485 1.00 33.24 C ATOM 0 H LEU A 21 -5.405 -7.601 -1.677 1.00 50.45 H new ATOM 0 HA LEU A 21 -4.408 -10.169 -0.646 1.00 45.41 H new ATOM 0 HB2 LEU A 21 -4.642 -8.640 1.287 1.00 25.11 H new ATOM 0 HB3 LEU A 21 -6.289 -8.279 0.812 1.00 25.11 H new ATOM 0 HG LEU A 21 -6.324 -11.037 1.026 1.00 63.25 H new ATOM 0 HD11 LEU A 21 -5.306 -11.532 3.214 1.00 10.53 H new ATOM 0 HD12 LEU A 21 -4.085 -11.056 2.010 1.00 10.53 H new ATOM 0 HD13 LEU A 21 -4.607 -9.896 3.254 1.00 10.53 H new ATOM 0 HD21 LEU A 21 -7.597 -10.624 3.095 1.00 33.24 H new ATOM 0 HD22 LEU A 21 -6.989 -8.952 3.131 1.00 33.24 H new ATOM 0 HD23 LEU A 21 -8.048 -9.485 1.804 1.00 33.24 H new ATOM 334 N ASN A 22 -6.474 -11.288 -1.466 1.00 42.35 N ATOM 335 CA ASN A 22 -7.599 -11.947 -2.120 1.00 14.11 C ATOM 336 C ASN A 22 -8.752 -12.151 -1.142 1.00 3.54 C ATOM 337 O ASN A 22 -8.545 -12.555 0.002 1.00 14.11 O ATOM 338 CB ASN A 22 -7.161 -13.295 -2.699 1.00 31.45 C ATOM 339 CG ASN A 22 -8.340 -14.181 -3.053 1.00 52.25 C ATOM 340 OD1 ASN A 22 -9.349 -13.711 -3.576 1.00 22.32 O ATOM 341 ND2 ASN A 22 -8.214 -15.472 -2.769 1.00 0.33 N ATOM 0 H ASN A 22 -5.752 -11.923 -1.125 1.00 42.35 H new ATOM 0 HA ASN A 22 -7.943 -11.306 -2.931 1.00 14.11 H new ATOM 0 HB2 ASN A 22 -6.556 -13.126 -3.590 1.00 31.45 H new ATOM 0 HB3 ASN A 22 -6.527 -13.809 -1.977 1.00 31.45 H new ATOM 0 HD21 ASN A 22 -8.973 -16.118 -2.985 1.00 0.33 H new ATOM 0 HD22 ASN A 22 -7.358 -15.818 -2.335 1.00 0.33 H new ATOM 348 N ASN A 23 -9.967 -11.871 -1.600 1.00 43.12 N ATOM 349 CA ASN A 23 -11.154 -12.024 -0.767 1.00 53.41 C ATOM 350 C ASN A 23 -10.973 -11.316 0.573 1.00 75.14 C ATOM 351 O ASN A 23 -10.917 -11.942 1.632 1.00 44.22 O ATOM 352 CB ASN A 23 -11.453 -13.507 -0.537 1.00 33.12 C ATOM 353 CG ASN A 23 -12.660 -13.722 0.356 1.00 24.42 C ATOM 354 OD1 ASN A 23 -12.616 -14.507 1.302 1.00 40.34 O ATOM 355 ND2 ASN A 23 -13.749 -13.020 0.057 1.00 55.33 N ATOM 0 H ASN A 23 -10.156 -11.536 -2.545 1.00 43.12 H new ATOM 0 HA ASN A 23 -11.995 -11.567 -1.288 1.00 53.41 H new ATOM 0 HB2 ASN A 23 -11.624 -13.994 -1.497 1.00 33.12 H new ATOM 0 HB3 ASN A 23 -10.582 -13.985 -0.088 1.00 33.12 H new ATOM 0 HD21 ASN A 23 -14.592 -13.122 0.622 1.00 55.33 H new ATOM 0 HD22 ASN A 23 -13.741 -12.380 -0.737 1.00 55.33 H new ATOM 362 N PRO A 24 -10.877 -9.979 0.527 1.00 4.22 N ATOM 363 CA PRO A 24 -10.702 -9.156 1.728 1.00 54.40 C ATOM 364 C PRO A 24 -11.950 -9.136 2.604 1.00 63.31 C ATOM 365 O PRO A 24 -13.072 -9.106 2.100 1.00 3.31 O ATOM 366 CB PRO A 24 -10.421 -7.761 1.164 1.00 61.03 C ATOM 367 CG PRO A 24 -11.059 -7.761 -0.182 1.00 5.23 C ATOM 368 CD PRO A 24 -10.934 -9.168 -0.700 1.00 24.41 C ATOM 0 HA PRO A 24 -9.910 -9.538 2.372 1.00 54.40 H new ATOM 0 HB2 PRO A 24 -10.842 -6.984 1.802 1.00 61.03 H new ATOM 0 HB3 PRO A 24 -9.350 -7.570 1.094 1.00 61.03 H new ATOM 0 HG2 PRO A 24 -12.105 -7.460 -0.118 1.00 5.23 H new ATOM 0 HG3 PRO A 24 -10.564 -7.054 -0.848 1.00 5.23 H new ATOM 0 HD2 PRO A 24 -11.784 -9.443 -1.325 1.00 24.41 H new ATOM 0 HD3 PRO A 24 -10.038 -9.295 -1.307 1.00 24.41 H new ATOM 376 N SER A 25 -11.746 -9.151 3.917 1.00 30.54 N ATOM 377 CA SER A 25 -12.855 -9.137 4.863 1.00 31.54 C ATOM 378 C SER A 25 -13.207 -7.708 5.267 1.00 40.31 C ATOM 379 O SER A 25 -12.385 -6.800 5.154 1.00 41.21 O ATOM 380 CB SER A 25 -12.505 -9.958 6.105 1.00 53.34 C ATOM 381 OG SER A 25 -13.173 -11.208 6.096 1.00 20.52 O ATOM 0 H SER A 25 -10.823 -9.173 4.350 1.00 30.54 H new ATOM 0 HA SER A 25 -13.722 -9.582 4.374 1.00 31.54 H new ATOM 0 HB2 SER A 25 -11.428 -10.118 6.147 1.00 53.34 H new ATOM 0 HB3 SER A 25 -12.780 -9.402 7.001 1.00 53.34 H new ATOM 0 HG SER A 25 -12.931 -11.714 6.900 1.00 20.52 H new ATOM 387 N GLU A 26 -14.436 -7.519 5.738 1.00 52.25 N ATOM 388 CA GLU A 26 -14.898 -6.201 6.158 1.00 74.44 C ATOM 389 C GLU A 26 -14.012 -5.643 7.267 1.00 62.53 C ATOM 390 O GLU A 26 -13.847 -4.428 7.392 1.00 34.14 O ATOM 391 CB GLU A 26 -16.349 -6.273 6.637 1.00 10.42 C ATOM 392 CG GLU A 26 -17.346 -5.688 5.650 1.00 74.35 C ATOM 393 CD GLU A 26 -18.711 -5.459 6.267 1.00 21.40 C ATOM 394 OE1 GLU A 26 -18.843 -4.527 7.089 1.00 21.32 O ATOM 395 OE2 GLU A 26 -19.648 -6.210 5.928 1.00 2.45 O ATOM 0 H GLU A 26 -15.129 -8.261 5.838 1.00 52.25 H new ATOM 0 HA GLU A 26 -14.840 -5.533 5.299 1.00 74.44 H new ATOM 0 HB2 GLU A 26 -16.608 -7.314 6.828 1.00 10.42 H new ATOM 0 HB3 GLU A 26 -16.436 -5.743 7.586 1.00 10.42 H new ATOM 0 HG2 GLU A 26 -16.961 -4.743 5.268 1.00 74.35 H new ATOM 0 HG3 GLU A 26 -17.445 -6.360 4.798 1.00 74.35 H new ATOM 402 N ASP A 27 -13.444 -6.536 8.070 1.00 61.14 N ATOM 403 CA ASP A 27 -12.574 -6.133 9.168 1.00 53.13 C ATOM 404 C ASP A 27 -11.237 -5.619 8.643 1.00 25.31 C ATOM 405 O ASP A 27 -10.773 -4.551 9.041 1.00 32.51 O ATOM 406 CB ASP A 27 -12.344 -7.307 10.121 1.00 53.13 C ATOM 407 CG ASP A 27 -12.963 -7.076 11.485 1.00 31.22 C ATOM 408 OD1 ASP A 27 -14.141 -7.446 11.673 1.00 5.01 O ATOM 409 OD2 ASP A 27 -12.269 -6.526 12.366 1.00 24.12 O ATOM 0 H ASP A 27 -13.571 -7.544 7.981 1.00 61.14 H new ATOM 0 HA ASP A 27 -13.065 -5.325 9.710 1.00 53.13 H new ATOM 0 HB2 ASP A 27 -12.763 -8.213 9.684 1.00 53.13 H new ATOM 0 HB3 ASP A 27 -11.273 -7.474 10.235 1.00 53.13 H new ATOM 414 N GLU A 28 -10.624 -6.386 7.748 1.00 61.15 N ATOM 415 CA GLU A 28 -9.339 -6.007 7.170 1.00 4.33 C ATOM 416 C GLU A 28 -9.471 -4.734 6.338 1.00 13.50 C ATOM 417 O GLU A 28 -8.683 -3.800 6.485 1.00 55.35 O ATOM 418 CB GLU A 28 -8.791 -7.142 6.301 1.00 1.44 C ATOM 419 CG GLU A 28 -7.389 -7.580 6.686 1.00 14.02 C ATOM 420 CD GLU A 28 -7.330 -8.197 8.072 1.00 43.04 C ATOM 421 OE1 GLU A 28 -7.406 -7.439 9.061 1.00 32.22 O ATOM 422 OE2 GLU A 28 -7.207 -9.435 8.165 1.00 42.42 O ATOM 0 H GLU A 28 -10.995 -7.273 7.407 1.00 61.15 H new ATOM 0 HA GLU A 28 -8.644 -5.816 7.988 1.00 4.33 H new ATOM 0 HB2 GLU A 28 -9.462 -7.998 6.371 1.00 1.44 H new ATOM 0 HB3 GLU A 28 -8.789 -6.822 5.259 1.00 1.44 H new ATOM 0 HG2 GLU A 28 -7.024 -8.302 5.955 1.00 14.02 H new ATOM 0 HG3 GLU A 28 -6.720 -6.720 6.646 1.00 14.02 H new ATOM 429 N ARG A 29 -10.473 -4.705 5.466 1.00 40.35 N ATOM 430 CA ARG A 29 -10.708 -3.548 4.610 1.00 40.45 C ATOM 431 C ARG A 29 -10.970 -2.299 5.444 1.00 35.32 C ATOM 432 O ARG A 29 -10.547 -1.199 5.087 1.00 64.05 O ATOM 433 CB ARG A 29 -11.891 -3.810 3.676 1.00 24.33 C ATOM 434 CG ARG A 29 -11.495 -4.444 2.353 1.00 15.13 C ATOM 435 CD ARG A 29 -12.671 -5.155 1.702 1.00 23.31 C ATOM 436 NE ARG A 29 -13.671 -4.214 1.204 1.00 45.21 N ATOM 437 CZ ARG A 29 -14.929 -4.549 0.942 1.00 21.02 C ATOM 438 NH1 ARG A 29 -15.340 -5.796 1.130 1.00 21.20 N ATOM 439 NH2 ARG A 29 -15.780 -3.636 0.491 1.00 4.12 N ATOM 0 H ARG A 29 -11.135 -5.469 5.333 1.00 40.35 H new ATOM 0 HA ARG A 29 -9.812 -3.382 4.012 1.00 40.45 H new ATOM 0 HB2 ARG A 29 -12.605 -4.461 4.182 1.00 24.33 H new ATOM 0 HB3 ARG A 29 -12.403 -2.868 3.479 1.00 24.33 H new ATOM 0 HG2 ARG A 29 -11.115 -3.676 1.680 1.00 15.13 H new ATOM 0 HG3 ARG A 29 -10.684 -5.154 2.517 1.00 15.13 H new ATOM 0 HD2 ARG A 29 -12.311 -5.771 0.878 1.00 23.31 H new ATOM 0 HD3 ARG A 29 -13.134 -5.827 2.425 1.00 23.31 H new ATOM 0 HE ARG A 29 -13.388 -3.247 1.049 1.00 45.21 H new ATOM 0 HH11 ARG A 29 -14.689 -6.501 1.477 1.00 21.20 H new ATOM 0 HH12 ARG A 29 -16.307 -6.050 0.928 1.00 21.20 H new ATOM 0 HH21 ARG A 29 -15.468 -2.676 0.345 1.00 4.12 H new ATOM 0 HH22 ARG A 29 -16.746 -3.894 0.290 1.00 4.12 H new ATOM 453 N LYS A 30 -11.671 -2.474 6.559 1.00 1.32 N ATOM 454 CA LYS A 30 -11.990 -1.362 7.446 1.00 11.33 C ATOM 455 C LYS A 30 -10.739 -0.859 8.160 1.00 21.41 C ATOM 456 O LYS A 30 -10.571 0.344 8.367 1.00 2.42 O ATOM 457 CB LYS A 30 -13.040 -1.789 8.475 1.00 2.21 C ATOM 458 CG LYS A 30 -13.523 -0.652 9.358 1.00 20.13 C ATOM 459 CD LYS A 30 -14.525 -1.137 10.393 1.00 34.34 C ATOM 460 CE LYS A 30 -15.888 -0.491 10.196 1.00 62.12 C ATOM 461 NZ LYS A 30 -16.588 -0.263 11.490 1.00 51.54 N ATOM 0 H LYS A 30 -12.029 -3.377 6.870 1.00 1.32 H new ATOM 0 HA LYS A 30 -12.392 -0.550 6.840 1.00 11.33 H new ATOM 0 HB2 LYS A 30 -13.894 -2.220 7.953 1.00 2.21 H new ATOM 0 HB3 LYS A 30 -12.621 -2.574 9.105 1.00 2.21 H new ATOM 0 HG2 LYS A 30 -12.672 -0.194 9.861 1.00 20.13 H new ATOM 0 HG3 LYS A 30 -13.981 0.120 8.740 1.00 20.13 H new ATOM 0 HD2 LYS A 30 -14.622 -2.221 10.327 1.00 34.34 H new ATOM 0 HD3 LYS A 30 -14.155 -0.910 11.393 1.00 34.34 H new ATOM 0 HE2 LYS A 30 -15.767 0.460 9.676 1.00 62.12 H new ATOM 0 HE3 LYS A 30 -16.502 -1.127 9.558 1.00 62.12 H new ATOM 0 HZ1 LYS A 30 -17.513 0.179 11.311 1.00 51.54 H new ATOM 0 HZ2 LYS A 30 -16.727 -1.173 11.975 1.00 51.54 H new ATOM 0 HZ3 LYS A 30 -16.015 0.365 12.089 1.00 51.54 H new ATOM 475 N LYS A 31 -9.863 -1.785 8.533 1.00 63.04 N ATOM 476 CA LYS A 31 -8.626 -1.435 9.220 1.00 14.43 C ATOM 477 C LYS A 31 -7.742 -0.559 8.338 1.00 33.32 C ATOM 478 O LYS A 31 -7.298 0.510 8.758 1.00 53.44 O ATOM 479 CB LYS A 31 -7.866 -2.702 9.622 1.00 5.01 C ATOM 480 CG LYS A 31 -6.451 -2.436 10.105 1.00 22.12 C ATOM 481 CD LYS A 31 -5.732 -3.725 10.466 1.00 1.33 C ATOM 482 CE LYS A 31 -4.297 -3.721 9.965 1.00 50.51 C ATOM 483 NZ LYS A 31 -3.490 -2.642 10.600 1.00 0.31 N ATOM 0 H LYS A 31 -9.987 -2.784 8.371 1.00 63.04 H new ATOM 0 HA LYS A 31 -8.885 -0.873 10.117 1.00 14.43 H new ATOM 0 HB2 LYS A 31 -8.420 -3.213 10.410 1.00 5.01 H new ATOM 0 HB3 LYS A 31 -7.828 -3.379 8.769 1.00 5.01 H new ATOM 0 HG2 LYS A 31 -5.893 -1.913 9.328 1.00 22.12 H new ATOM 0 HG3 LYS A 31 -6.480 -1.779 10.974 1.00 22.12 H new ATOM 0 HD2 LYS A 31 -5.740 -3.857 11.548 1.00 1.33 H new ATOM 0 HD3 LYS A 31 -6.266 -4.573 10.037 1.00 1.33 H new ATOM 0 HE2 LYS A 31 -3.838 -4.688 10.172 1.00 50.51 H new ATOM 0 HE3 LYS A 31 -4.291 -3.590 8.883 1.00 50.51 H new ATOM 0 HZ1 LYS A 31 -2.595 -2.528 10.083 1.00 0.31 H new ATOM 0 HZ2 LYS A 31 -4.022 -1.749 10.573 1.00 0.31 H new ATOM 0 HZ3 LYS A 31 -3.289 -2.895 11.588 1.00 0.31 H new ATOM 497 N ILE A 32 -7.494 -1.017 7.117 1.00 63.15 N ATOM 498 CA ILE A 32 -6.665 -0.272 6.176 1.00 3.43 C ATOM 499 C ILE A 32 -7.335 1.037 5.771 1.00 23.12 C ATOM 500 O ILE A 32 -6.677 2.069 5.645 1.00 64.15 O ATOM 501 CB ILE A 32 -6.371 -1.097 4.910 1.00 44.54 C ATOM 502 CG1 ILE A 32 -5.279 -2.132 5.192 1.00 2.33 C ATOM 503 CG2 ILE A 32 -5.958 -0.184 3.765 1.00 24.55 C ATOM 504 CD1 ILE A 32 -5.071 -3.114 4.060 1.00 54.21 C ATOM 0 H ILE A 32 -7.854 -1.900 6.755 1.00 63.15 H new ATOM 0 HA ILE A 32 -5.726 -0.055 6.685 1.00 3.43 H new ATOM 0 HB ILE A 32 -7.280 -1.624 4.619 1.00 44.54 H new ATOM 0 HG12 ILE A 32 -4.341 -1.614 5.390 1.00 2.33 H new ATOM 0 HG13 ILE A 32 -5.536 -2.682 6.097 1.00 2.33 H new ATOM 0 HG21 ILE A 32 -5.754 -0.783 2.878 1.00 24.55 H new ATOM 0 HG22 ILE A 32 -6.764 0.519 3.551 1.00 24.55 H new ATOM 0 HG23 ILE A 32 -5.060 0.367 4.045 1.00 24.55 H new ATOM 0 HD11 ILE A 32 -4.283 -3.818 4.329 1.00 54.21 H new ATOM 0 HD12 ILE A 32 -5.997 -3.659 3.876 1.00 54.21 H new ATOM 0 HD13 ILE A 32 -4.783 -2.574 3.158 1.00 54.21 H new ATOM 516 N ARG A 33 -8.648 0.987 5.572 1.00 43.35 N ATOM 517 CA ARG A 33 -9.407 2.168 5.182 1.00 23.44 C ATOM 518 C ARG A 33 -9.520 3.150 6.344 1.00 31.01 C ATOM 519 O ARG A 33 -9.761 4.341 6.144 1.00 1.01 O ATOM 520 CB ARG A 33 -10.804 1.769 4.702 1.00 1.52 C ATOM 521 CG ARG A 33 -11.714 2.953 4.422 1.00 1.32 C ATOM 522 CD ARG A 33 -12.983 2.523 3.704 1.00 43.33 C ATOM 523 NE ARG A 33 -14.101 2.341 4.626 1.00 73.31 N ATOM 524 CZ ARG A 33 -14.800 3.347 5.141 1.00 41.25 C ATOM 525 NH1 ARG A 33 -14.498 4.599 4.824 1.00 13.24 N ATOM 526 NH2 ARG A 33 -15.803 3.101 5.973 1.00 20.44 N ATOM 0 H ARG A 33 -9.208 0.141 5.675 1.00 43.35 H new ATOM 0 HA ARG A 33 -8.875 2.656 4.365 1.00 23.44 H new ATOM 0 HB2 ARG A 33 -10.710 1.172 3.795 1.00 1.52 H new ATOM 0 HB3 ARG A 33 -11.270 1.134 5.455 1.00 1.52 H new ATOM 0 HG2 ARG A 33 -11.974 3.443 5.360 1.00 1.32 H new ATOM 0 HG3 ARG A 33 -11.182 3.686 3.816 1.00 1.32 H new ATOM 0 HD2 ARG A 33 -13.248 3.271 2.957 1.00 43.33 H new ATOM 0 HD3 ARG A 33 -12.799 1.591 3.170 1.00 43.33 H new ATOM 0 HE ARG A 33 -14.359 1.390 4.889 1.00 73.31 H new ATOM 0 HH11 ARG A 33 -13.728 4.791 4.184 1.00 13.24 H new ATOM 0 HH12 ARG A 33 -15.036 5.369 5.221 1.00 13.24 H new ATOM 0 HH21 ARG A 33 -16.038 2.139 6.218 1.00 20.44 H new ATOM 0 HH22 ARG A 33 -16.339 3.874 6.368 1.00 20.44 H new ATOM 540 N ASP A 34 -9.343 2.643 7.559 1.00 12.13 N ATOM 541 CA ASP A 34 -9.424 3.475 8.755 1.00 43.15 C ATOM 542 C ASP A 34 -8.032 3.885 9.226 1.00 63.01 C ATOM 543 O ASP A 34 -7.874 4.458 10.305 1.00 42.30 O ATOM 544 CB ASP A 34 -10.156 2.730 9.872 1.00 74.41 C ATOM 545 CG ASP A 34 -10.493 3.631 11.044 1.00 32.32 C ATOM 546 OD1 ASP A 34 -10.754 4.831 10.814 1.00 13.24 O ATOM 547 OD2 ASP A 34 -10.496 3.137 12.190 1.00 14.33 O ATOM 0 H ASP A 34 -9.142 1.660 7.742 1.00 12.13 H new ATOM 0 HA ASP A 34 -9.983 4.376 8.504 1.00 43.15 H new ATOM 0 HB2 ASP A 34 -11.074 2.296 9.475 1.00 74.41 H new ATOM 0 HB3 ASP A 34 -9.537 1.903 10.219 1.00 74.41 H new ATOM 552 N LEU A 35 -7.026 3.587 8.412 1.00 72.12 N ATOM 553 CA LEU A 35 -5.646 3.924 8.746 1.00 43.42 C ATOM 554 C LEU A 35 -5.448 5.435 8.788 1.00 23.35 C ATOM 555 O LEU A 35 -6.234 6.204 8.232 1.00 20.42 O ATOM 556 CB LEU A 35 -4.688 3.300 7.729 1.00 20.40 C ATOM 557 CG LEU A 35 -4.298 1.844 7.979 1.00 74.11 C ATOM 558 CD1 LEU A 35 -3.506 1.293 6.803 1.00 70.41 C ATOM 559 CD2 LEU A 35 -3.497 1.720 9.268 1.00 2.22 C ATOM 0 H LEU A 35 -7.139 3.113 7.516 1.00 72.12 H new ATOM 0 HA LEU A 35 -5.429 3.521 9.735 1.00 43.42 H new ATOM 0 HB2 LEU A 35 -5.144 3.368 6.741 1.00 20.40 H new ATOM 0 HB3 LEU A 35 -3.778 3.899 7.702 1.00 20.40 H new ATOM 0 HG LEU A 35 -5.210 1.257 8.083 1.00 74.11 H new ATOM 0 HD11 LEU A 35 -3.237 0.255 7.000 1.00 70.41 H new ATOM 0 HD12 LEU A 35 -4.113 1.346 5.899 1.00 70.41 H new ATOM 0 HD13 LEU A 35 -2.600 1.883 6.666 1.00 70.41 H new ATOM 0 HD21 LEU A 35 -3.228 0.676 9.430 1.00 2.22 H new ATOM 0 HD22 LEU A 35 -2.591 2.321 9.192 1.00 2.22 H new ATOM 0 HD23 LEU A 35 -4.098 2.074 10.105 1.00 2.22 H new ATOM 571 N PRO A 36 -4.374 5.874 9.461 1.00 23.53 N ATOM 572 CA PRO A 36 -4.048 7.297 9.588 1.00 33.22 C ATOM 573 C PRO A 36 -3.592 7.908 8.269 1.00 61.04 C ATOM 574 O PRO A 36 -2.577 7.500 7.702 1.00 23.01 O ATOM 575 CB PRO A 36 -2.904 7.309 10.606 1.00 34.13 C ATOM 576 CG PRO A 36 -2.279 5.961 10.488 1.00 1.05 C ATOM 577 CD PRO A 36 -3.397 5.014 10.148 1.00 35.34 C ATOM 0 HA PRO A 36 -4.913 7.887 9.890 1.00 33.22 H new ATOM 0 HB2 PRO A 36 -2.186 8.099 10.386 1.00 34.13 H new ATOM 0 HB3 PRO A 36 -3.274 7.487 11.616 1.00 34.13 H new ATOM 0 HG2 PRO A 36 -1.512 5.953 9.714 1.00 1.05 H new ATOM 0 HG3 PRO A 36 -1.794 5.673 11.421 1.00 1.05 H new ATOM 0 HD2 PRO A 36 -3.055 4.202 9.506 1.00 35.34 H new ATOM 0 HD3 PRO A 36 -3.822 4.557 11.041 1.00 35.34 H new ATOM 585 N ILE A 37 -4.347 8.888 7.783 1.00 71.25 N ATOM 586 CA ILE A 37 -4.018 9.556 6.530 1.00 40.30 C ATOM 587 C ILE A 37 -2.748 10.390 6.667 1.00 24.53 C ATOM 588 O ILE A 37 -1.968 10.511 5.724 1.00 72.52 O ATOM 589 CB ILE A 37 -5.168 10.465 6.058 1.00 73.11 C ATOM 590 CG1 ILE A 37 -5.627 11.377 7.198 1.00 1.44 C ATOM 591 CG2 ILE A 37 -6.328 9.628 5.542 1.00 40.24 C ATOM 592 CD1 ILE A 37 -6.631 12.424 6.768 1.00 74.03 C ATOM 0 H ILE A 37 -5.191 9.237 8.238 1.00 71.25 H new ATOM 0 HA ILE A 37 -3.857 8.773 5.789 1.00 40.30 H new ATOM 0 HB ILE A 37 -4.806 11.090 5.242 1.00 73.11 H new ATOM 0 HG12 ILE A 37 -6.067 10.766 7.987 1.00 1.44 H new ATOM 0 HG13 ILE A 37 -4.757 11.874 7.627 1.00 1.44 H new ATOM 0 HG21 ILE A 37 -7.133 10.285 5.212 1.00 40.24 H new ATOM 0 HG22 ILE A 37 -5.992 9.018 4.704 1.00 40.24 H new ATOM 0 HG23 ILE A 37 -6.692 8.980 6.339 1.00 40.24 H new ATOM 0 HD11 ILE A 37 -6.911 13.034 7.627 1.00 74.03 H new ATOM 0 HD12 ILE A 37 -6.188 13.059 6.001 1.00 74.03 H new ATOM 0 HD13 ILE A 37 -7.518 11.934 6.366 1.00 74.03 H new ATOM 604 N SER A 38 -2.548 10.962 7.851 1.00 64.11 N ATOM 605 CA SER A 38 -1.375 11.787 8.113 1.00 41.35 C ATOM 606 C SER A 38 -0.101 10.947 8.077 1.00 24.32 C ATOM 607 O SER A 38 0.993 11.467 7.857 1.00 0.21 O ATOM 608 CB SER A 38 -1.504 12.480 9.470 1.00 3.04 C ATOM 609 OG SER A 38 -2.425 13.556 9.407 1.00 13.42 O ATOM 0 H SER A 38 -3.183 10.869 8.643 1.00 64.11 H new ATOM 0 HA SER A 38 -1.313 12.544 7.332 1.00 41.35 H new ATOM 0 HB2 SER A 38 -1.832 11.760 10.220 1.00 3.04 H new ATOM 0 HB3 SER A 38 -0.529 12.850 9.787 1.00 3.04 H new ATOM 0 HG SER A 38 -2.491 13.982 10.287 1.00 13.42 H new ATOM 615 N LEU A 39 -0.253 9.645 8.295 1.00 21.24 N ATOM 616 CA LEU A 39 0.883 8.731 8.288 1.00 12.33 C ATOM 617 C LEU A 39 1.407 8.523 6.871 1.00 44.10 C ATOM 618 O LEU A 39 2.592 8.259 6.668 1.00 2.42 O ATOM 619 CB LEU A 39 0.486 7.387 8.900 1.00 22.02 C ATOM 620 CG LEU A 39 1.539 6.710 9.779 1.00 63.51 C ATOM 621 CD1 LEU A 39 0.882 6.029 10.969 1.00 54.33 C ATOM 622 CD2 LEU A 39 2.347 5.709 8.967 1.00 5.50 C ATOM 0 H LEU A 39 -1.152 9.199 8.479 1.00 21.24 H new ATOM 0 HA LEU A 39 1.678 9.175 8.887 1.00 12.33 H new ATOM 0 HB2 LEU A 39 -0.415 7.534 9.496 1.00 22.02 H new ATOM 0 HB3 LEU A 39 0.225 6.705 8.091 1.00 22.02 H new ATOM 0 HG LEU A 39 2.219 7.475 10.155 1.00 63.51 H new ATOM 0 HD11 LEU A 39 1.646 5.553 11.583 1.00 54.33 H new ATOM 0 HD12 LEU A 39 0.349 6.771 11.564 1.00 54.33 H new ATOM 0 HD13 LEU A 39 0.179 5.275 10.614 1.00 54.33 H new ATOM 0 HD21 LEU A 39 3.091 5.237 9.608 1.00 5.50 H new ATOM 0 HD22 LEU A 39 1.681 4.947 8.562 1.00 5.50 H new ATOM 0 HD23 LEU A 39 2.848 6.225 8.148 1.00 5.50 H new ATOM 634 N PHE A 40 0.515 8.645 5.893 1.00 62.01 N ATOM 635 CA PHE A 40 0.887 8.472 4.494 1.00 24.11 C ATOM 636 C PHE A 40 0.498 9.697 3.672 1.00 4.23 C ATOM 637 O PHE A 40 -0.685 10.008 3.524 1.00 64.33 O ATOM 638 CB PHE A 40 0.217 7.223 3.917 1.00 1.10 C ATOM 639 CG PHE A 40 0.188 6.063 4.871 1.00 74.41 C ATOM 640 CD1 PHE A 40 -0.847 5.923 5.780 1.00 10.35 C ATOM 641 CD2 PHE A 40 1.198 5.114 4.859 1.00 1.40 C ATOM 642 CE1 PHE A 40 -0.875 4.857 6.660 1.00 1.11 C ATOM 643 CE2 PHE A 40 1.175 4.046 5.736 1.00 13.12 C ATOM 644 CZ PHE A 40 0.136 3.917 6.637 1.00 43.31 C ATOM 0 H PHE A 40 -0.470 8.863 6.044 1.00 62.01 H new ATOM 0 HA PHE A 40 1.969 8.352 4.444 1.00 24.11 H new ATOM 0 HB2 PHE A 40 -0.804 7.470 3.626 1.00 1.10 H new ATOM 0 HB3 PHE A 40 0.743 6.924 3.010 1.00 1.10 H new ATOM 0 HD1 PHE A 40 -1.641 6.655 5.802 1.00 10.35 H new ATOM 0 HD2 PHE A 40 2.012 5.210 4.156 1.00 1.40 H new ATOM 0 HE1 PHE A 40 -1.687 4.760 7.365 1.00 1.11 H new ATOM 0 HE2 PHE A 40 1.968 3.313 5.717 1.00 13.12 H new ATOM 0 HZ PHE A 40 0.115 3.082 7.322 1.00 43.31 H new ATOM 654 N ASP A 41 1.500 10.388 3.140 1.00 32.22 N ATOM 655 CA ASP A 41 1.263 11.579 2.332 1.00 54.23 C ATOM 656 C ASP A 41 0.256 11.292 1.223 1.00 33.12 C ATOM 657 O ASP A 41 -0.466 12.185 0.781 1.00 22.13 O ATOM 658 CB ASP A 41 2.576 12.080 1.728 1.00 21.40 C ATOM 659 CG ASP A 41 2.938 13.473 2.207 1.00 50.14 C ATOM 660 OD1 ASP A 41 2.094 14.383 2.077 1.00 24.11 O ATOM 661 OD2 ASP A 41 4.068 13.653 2.710 1.00 50.00 O ATOM 0 H ASP A 41 2.484 10.144 3.254 1.00 32.22 H new ATOM 0 HA ASP A 41 0.851 12.352 2.981 1.00 54.23 H new ATOM 0 HB2 ASP A 41 3.379 11.390 1.987 1.00 21.40 H new ATOM 0 HB3 ASP A 41 2.495 12.082 0.641 1.00 21.40 H new ATOM 666 N TYR A 42 0.215 10.042 0.778 1.00 0.42 N ATOM 667 CA TYR A 42 -0.701 9.638 -0.282 1.00 43.31 C ATOM 668 C TYR A 42 -1.314 8.273 0.018 1.00 42.32 C ATOM 669 O TYR A 42 -0.600 7.294 0.237 1.00 21.00 O ATOM 670 CB TYR A 42 0.027 9.598 -1.627 1.00 11.03 C ATOM 671 CG TYR A 42 -0.853 9.172 -2.780 1.00 45.41 C ATOM 672 CD1 TYR A 42 -2.189 9.550 -2.837 1.00 24.44 C ATOM 673 CD2 TYR A 42 -0.350 8.390 -3.812 1.00 31.31 C ATOM 674 CE1 TYR A 42 -2.998 9.164 -3.888 1.00 41.42 C ATOM 675 CE2 TYR A 42 -1.151 7.999 -4.868 1.00 63.03 C ATOM 676 CZ TYR A 42 -2.474 8.388 -4.901 1.00 42.14 C ATOM 677 OH TYR A 42 -3.275 7.999 -5.950 1.00 62.44 O ATOM 0 H TYR A 42 0.805 9.290 1.135 1.00 0.42 H new ATOM 0 HA TYR A 42 -1.504 10.374 -0.333 1.00 43.31 H new ATOM 0 HB2 TYR A 42 0.436 10.586 -1.839 1.00 11.03 H new ATOM 0 HB3 TYR A 42 0.872 8.913 -1.553 1.00 11.03 H new ATOM 0 HD1 TYR A 42 -2.602 10.157 -2.045 1.00 24.44 H new ATOM 0 HD2 TYR A 42 0.685 8.082 -3.789 1.00 31.31 H new ATOM 0 HE1 TYR A 42 -4.034 9.468 -3.916 1.00 41.42 H new ATOM 0 HE2 TYR A 42 -0.743 7.392 -5.663 1.00 63.03 H new ATOM 0 HH TYR A 42 -4.094 8.538 -5.954 1.00 62.44 H new ATOM 687 N PHE A 43 -2.642 8.216 0.024 1.00 34.05 N ATOM 688 CA PHE A 43 -3.352 6.972 0.297 1.00 34.02 C ATOM 689 C PHE A 43 -4.472 6.752 -0.716 1.00 2.01 C ATOM 690 O PHE A 43 -5.432 7.521 -0.772 1.00 61.30 O ATOM 691 CB PHE A 43 -3.928 6.988 1.715 1.00 74.22 C ATOM 692 CG PHE A 43 -3.881 5.651 2.397 1.00 40.34 C ATOM 693 CD1 PHE A 43 -3.836 4.481 1.654 1.00 73.32 C ATOM 694 CD2 PHE A 43 -3.883 5.562 3.779 1.00 25.21 C ATOM 695 CE1 PHE A 43 -3.793 3.249 2.278 1.00 62.30 C ATOM 696 CE2 PHE A 43 -3.840 4.333 4.408 1.00 14.43 C ATOM 697 CZ PHE A 43 -3.796 3.174 3.657 1.00 62.12 C ATOM 0 H PHE A 43 -3.248 9.016 -0.157 1.00 34.05 H new ATOM 0 HA PHE A 43 -2.640 6.151 0.211 1.00 34.02 H new ATOM 0 HB2 PHE A 43 -3.376 7.712 2.314 1.00 74.22 H new ATOM 0 HB3 PHE A 43 -4.962 7.330 1.674 1.00 74.22 H new ATOM 0 HD1 PHE A 43 -3.835 4.533 0.575 1.00 73.32 H new ATOM 0 HD2 PHE A 43 -3.919 6.464 4.372 1.00 25.21 H new ATOM 0 HE1 PHE A 43 -3.757 2.345 1.688 1.00 62.30 H new ATOM 0 HE2 PHE A 43 -3.841 4.278 5.487 1.00 14.43 H new ATOM 0 HZ PHE A 43 -3.764 2.212 4.147 1.00 62.12 H new ATOM 707 N ILE A 44 -4.341 5.697 -1.513 1.00 5.25 N ATOM 708 CA ILE A 44 -5.342 5.376 -2.523 1.00 50.01 C ATOM 709 C ILE A 44 -5.635 3.880 -2.550 1.00 11.03 C ATOM 710 O ILE A 44 -4.755 3.068 -2.834 1.00 64.15 O ATOM 711 CB ILE A 44 -4.891 5.823 -3.926 1.00 74.54 C ATOM 712 CG1 ILE A 44 -5.788 5.202 -4.998 1.00 52.43 C ATOM 713 CG2 ILE A 44 -3.436 5.445 -4.160 1.00 33.51 C ATOM 714 CD1 ILE A 44 -6.092 6.135 -6.148 1.00 43.32 C ATOM 0 H ILE A 44 -3.553 5.051 -1.479 1.00 5.25 H new ATOM 0 HA ILE A 44 -6.248 5.918 -2.252 1.00 50.01 H new ATOM 0 HB ILE A 44 -4.979 6.907 -3.991 1.00 74.54 H new ATOM 0 HG12 ILE A 44 -5.307 4.304 -5.387 1.00 52.43 H new ATOM 0 HG13 ILE A 44 -6.725 4.888 -4.538 1.00 52.43 H new ATOM 0 HG21 ILE A 44 -3.132 5.767 -5.156 1.00 33.51 H new ATOM 0 HG22 ILE A 44 -2.809 5.932 -3.413 1.00 33.51 H new ATOM 0 HG23 ILE A 44 -3.323 4.364 -4.079 1.00 33.51 H new ATOM 0 HD11 ILE A 44 -6.732 5.627 -6.869 1.00 43.32 H new ATOM 0 HD12 ILE A 44 -6.601 7.022 -5.772 1.00 43.32 H new ATOM 0 HD13 ILE A 44 -5.162 6.429 -6.633 1.00 43.32 H new ATOM 726 N VAL A 45 -6.880 3.521 -2.252 1.00 2.21 N ATOM 727 CA VAL A 45 -7.291 2.122 -2.245 1.00 2.11 C ATOM 728 C VAL A 45 -8.441 1.882 -3.217 1.00 60.01 C ATOM 729 O VAL A 45 -9.360 2.693 -3.321 1.00 31.14 O ATOM 730 CB VAL A 45 -7.723 1.672 -0.836 1.00 51.44 C ATOM 731 CG1 VAL A 45 -7.677 0.155 -0.723 1.00 74.34 C ATOM 732 CG2 VAL A 45 -6.843 2.320 0.223 1.00 62.22 C ATOM 0 H VAL A 45 -7.621 4.180 -2.012 1.00 2.21 H new ATOM 0 HA VAL A 45 -6.427 1.536 -2.558 1.00 2.11 H new ATOM 0 HB VAL A 45 -8.751 1.995 -0.669 1.00 51.44 H new ATOM 0 HG11 VAL A 45 -7.985 -0.145 0.279 1.00 74.34 H new ATOM 0 HG12 VAL A 45 -8.352 -0.285 -1.457 1.00 74.34 H new ATOM 0 HG13 VAL A 45 -6.661 -0.193 -0.909 1.00 74.34 H new ATOM 0 HG21 VAL A 45 -7.162 1.991 1.212 1.00 62.22 H new ATOM 0 HG22 VAL A 45 -5.805 2.029 0.061 1.00 62.22 H new ATOM 0 HG23 VAL A 45 -6.931 3.404 0.155 1.00 62.22 H new ATOM 742 N GLY A 46 -8.383 0.760 -3.927 1.00 41.42 N ATOM 743 CA GLY A 46 -9.426 0.432 -4.883 1.00 33.02 C ATOM 744 C GLY A 46 -9.894 -1.005 -4.760 1.00 62.43 C ATOM 745 O GLY A 46 -9.094 -1.904 -4.503 1.00 34.12 O ATOM 0 H GLY A 46 -7.633 0.072 -3.858 1.00 41.42 H new ATOM 0 HA2 GLY A 46 -10.274 1.101 -4.735 1.00 33.02 H new ATOM 0 HA3 GLY A 46 -9.056 0.605 -5.894 1.00 33.02 H new ATOM 749 N GLU A 47 -11.192 -1.221 -4.944 1.00 14.15 N ATOM 750 CA GLU A 47 -11.764 -2.559 -4.849 1.00 34.25 C ATOM 751 C GLU A 47 -12.010 -3.145 -6.236 1.00 74.04 C ATOM 752 O GLU A 47 -12.545 -2.474 -7.118 1.00 1.32 O ATOM 753 CB GLU A 47 -13.075 -2.523 -4.060 1.00 70.22 C ATOM 754 CG GLU A 47 -13.737 -3.882 -3.918 1.00 3.14 C ATOM 755 CD GLU A 47 -13.698 -4.406 -2.495 1.00 51.24 C ATOM 756 OE1 GLU A 47 -13.823 -3.589 -1.559 1.00 64.13 O ATOM 757 OE2 GLU A 47 -13.541 -5.632 -2.319 1.00 31.32 O ATOM 0 H GLU A 47 -11.867 -0.488 -5.160 1.00 14.15 H new ATOM 0 HA GLU A 47 -11.050 -3.195 -4.325 1.00 34.25 H new ATOM 0 HB2 GLU A 47 -12.881 -2.117 -3.067 1.00 70.22 H new ATOM 0 HB3 GLU A 47 -13.767 -1.841 -4.553 1.00 70.22 H new ATOM 0 HG2 GLU A 47 -14.774 -3.813 -4.247 1.00 3.14 H new ATOM 0 HG3 GLU A 47 -13.240 -4.594 -4.577 1.00 3.14 H new ATOM 875 N PRO A 56 -14.230 -10.934 -4.115 1.00 62.54 N ATOM 876 CA PRO A 56 -13.592 -9.632 -4.333 1.00 70.54 C ATOM 877 C PRO A 56 -12.098 -9.660 -4.022 1.00 23.33 C ATOM 878 O PRO A 56 -11.601 -10.597 -3.399 1.00 14.24 O ATOM 879 CB PRO A 56 -14.324 -8.709 -3.357 1.00 23.01 C ATOM 880 CG PRO A 56 -14.821 -9.612 -2.282 1.00 2.14 C ATOM 881 CD PRO A 56 -15.134 -10.921 -2.953 1.00 15.31 C ATOM 0 HA PRO A 56 -13.661 -9.314 -5.373 1.00 70.54 H new ATOM 0 HB2 PRO A 56 -13.656 -7.947 -2.956 1.00 23.01 H new ATOM 0 HB3 PRO A 56 -15.146 -8.187 -3.847 1.00 23.01 H new ATOM 0 HG2 PRO A 56 -14.069 -9.742 -1.503 1.00 2.14 H new ATOM 0 HG3 PRO A 56 -15.708 -9.197 -1.803 1.00 2.14 H new ATOM 0 HD2 PRO A 56 -14.949 -11.766 -2.290 1.00 15.31 H new ATOM 0 HD3 PRO A 56 -16.179 -10.977 -3.257 1.00 15.31 H new ATOM 889 N HIS A 57 -11.389 -8.624 -4.460 1.00 61.11 N ATOM 890 CA HIS A 57 -9.952 -8.529 -4.227 1.00 23.04 C ATOM 891 C HIS A 57 -9.550 -7.098 -3.884 1.00 25.12 C ATOM 892 O HIS A 57 -10.044 -6.142 -4.486 1.00 53.44 O ATOM 893 CB HIS A 57 -9.181 -9.007 -5.458 1.00 21.51 C ATOM 894 CG HIS A 57 -7.719 -8.687 -5.410 1.00 42.14 C ATOM 895 ND1 HIS A 57 -7.128 -7.743 -6.223 1.00 72.05 N ATOM 896 CD2 HIS A 57 -6.728 -9.191 -4.639 1.00 34.31 C ATOM 897 CE1 HIS A 57 -5.836 -7.681 -5.956 1.00 0.44 C ATOM 898 NE2 HIS A 57 -5.567 -8.550 -4.998 1.00 74.11 N ATOM 0 H HIS A 57 -11.786 -7.840 -4.977 1.00 61.11 H new ATOM 0 HA HIS A 57 -9.704 -9.170 -3.381 1.00 23.04 H new ATOM 0 HB2 HIS A 57 -9.305 -10.085 -5.559 1.00 21.51 H new ATOM 0 HB3 HIS A 57 -9.615 -8.552 -6.348 1.00 21.51 H new ATOM 0 HD1 HIS A 57 -7.613 -7.180 -6.922 1.00 72.05 H new ATOM 0 HD2 HIS A 57 -6.830 -9.955 -3.882 1.00 34.31 H new ATOM 0 HE1 HIS A 57 -5.121 -7.031 -6.439 1.00 0.44 H new ATOM 906 N LEU A 58 -8.654 -6.956 -2.913 1.00 64.24 N ATOM 907 CA LEU A 58 -8.187 -5.640 -2.491 1.00 2.14 C ATOM 908 C LEU A 58 -6.891 -5.268 -3.202 1.00 55.24 C ATOM 909 O LEU A 58 -5.960 -6.070 -3.276 1.00 1.32 O ATOM 910 CB LEU A 58 -7.976 -5.616 -0.976 1.00 30.50 C ATOM 911 CG LEU A 58 -8.542 -4.400 -0.239 1.00 42.35 C ATOM 912 CD1 LEU A 58 -8.153 -4.439 1.230 1.00 1.24 C ATOM 913 CD2 LEU A 58 -8.058 -3.111 -0.887 1.00 50.44 C ATOM 0 H LEU A 58 -8.237 -7.735 -2.404 1.00 64.24 H new ATOM 0 HA LEU A 58 -8.949 -4.908 -2.758 1.00 2.14 H new ATOM 0 HB2 LEU A 58 -8.425 -6.514 -0.552 1.00 30.50 H new ATOM 0 HB3 LEU A 58 -6.906 -5.671 -0.777 1.00 30.50 H new ATOM 0 HG LEU A 58 -9.629 -4.431 -0.307 1.00 42.35 H new ATOM 0 HD11 LEU A 58 -8.564 -3.567 1.738 1.00 1.24 H new ATOM 0 HD12 LEU A 58 -8.549 -5.346 1.687 1.00 1.24 H new ATOM 0 HD13 LEU A 58 -7.067 -4.432 1.319 1.00 1.24 H new ATOM 0 HD21 LEU A 58 -8.470 -2.257 -0.350 1.00 50.44 H new ATOM 0 HD22 LEU A 58 -6.969 -3.072 -0.850 1.00 50.44 H new ATOM 0 HD23 LEU A 58 -8.387 -3.080 -1.926 1.00 50.44 H new ATOM 925 N GLN A 59 -6.836 -4.046 -3.723 1.00 42.21 N ATOM 926 CA GLN A 59 -5.652 -3.568 -4.427 1.00 31.10 C ATOM 927 C GLN A 59 -5.534 -2.051 -4.325 1.00 12.31 C ATOM 928 O GLN A 59 -6.350 -1.316 -4.881 1.00 54.04 O ATOM 929 CB GLN A 59 -5.702 -3.990 -5.896 1.00 55.35 C ATOM 930 CG GLN A 59 -4.651 -3.312 -6.760 1.00 72.14 C ATOM 931 CD GLN A 59 -3.237 -3.688 -6.361 1.00 71.03 C ATOM 932 OE1 GLN A 59 -2.674 -2.950 -5.412 1.00 35.32 O flip ATOM 933 NE2 GLN A 59 -2.657 -4.630 -6.901 1.00 34.33 N flip ATOM 0 H GLN A 59 -7.597 -3.369 -3.671 1.00 42.21 H new ATOM 0 HA GLN A 59 -4.775 -4.015 -3.958 1.00 31.10 H new ATOM 0 HB2 GLN A 59 -5.571 -5.070 -5.960 1.00 55.35 H new ATOM 0 HB3 GLN A 59 -6.690 -3.765 -6.297 1.00 55.35 H new ATOM 0 HG2 GLN A 59 -4.814 -3.582 -7.803 1.00 72.14 H new ATOM 0 HG3 GLN A 59 -4.769 -2.231 -6.688 1.00 72.14 H new ATOM 0 HE21 GLN A 59 -3.128 -5.171 -7.626 1.00 34.33 H new ATOM 0 HE22 GLN A 59 -1.705 -4.870 -6.623 1.00 34.33 H new ATOM 942 N GLY A 60 -4.513 -1.588 -3.610 1.00 50.13 N ATOM 943 CA GLY A 60 -4.307 -0.161 -3.448 1.00 2.43 C ATOM 944 C GLY A 60 -2.850 0.193 -3.225 1.00 44.13 C ATOM 945 O GLY A 60 -2.002 -0.689 -3.097 1.00 11.02 O ATOM 0 H GLY A 60 -3.825 -2.176 -3.140 1.00 50.13 H new ATOM 0 HA2 GLY A 60 -4.672 0.359 -4.334 1.00 2.43 H new ATOM 0 HA3 GLY A 60 -4.897 0.195 -2.604 1.00 2.43 H new ATOM 949 N PHE A 61 -2.558 1.489 -3.182 1.00 63.00 N ATOM 950 CA PHE A 61 -1.193 1.958 -2.977 1.00 21.31 C ATOM 951 C PHE A 61 -1.144 3.037 -1.899 1.00 3.42 C ATOM 952 O PHE A 61 -2.025 3.893 -1.822 1.00 61.14 O ATOM 953 CB PHE A 61 -0.617 2.504 -4.286 1.00 10.41 C ATOM 954 CG PHE A 61 0.641 3.304 -4.100 1.00 2.22 C ATOM 955 CD1 PHE A 61 1.742 2.752 -3.465 1.00 3.41 C ATOM 956 CD2 PHE A 61 0.721 4.609 -4.559 1.00 41.44 C ATOM 957 CE1 PHE A 61 2.899 3.487 -3.292 1.00 30.32 C ATOM 958 CE2 PHE A 61 1.877 5.348 -4.389 1.00 25.30 C ATOM 959 CZ PHE A 61 2.967 4.787 -3.756 1.00 11.40 C ATOM 0 H PHE A 61 -3.248 2.233 -3.286 1.00 63.00 H new ATOM 0 HA PHE A 61 -0.591 1.112 -2.647 1.00 21.31 H new ATOM 0 HB2 PHE A 61 -0.412 1.671 -4.959 1.00 10.41 H new ATOM 0 HB3 PHE A 61 -1.367 3.129 -4.771 1.00 10.41 H new ATOM 0 HD1 PHE A 61 1.695 1.736 -3.101 1.00 3.41 H new ATOM 0 HD2 PHE A 61 -0.129 5.054 -5.055 1.00 41.44 H new ATOM 0 HE1 PHE A 61 3.750 3.046 -2.794 1.00 30.32 H new ATOM 0 HE2 PHE A 61 1.927 6.364 -4.752 1.00 25.30 H new ATOM 0 HZ PHE A 61 3.871 5.362 -3.623 1.00 11.40 H new ATOM 969 N ALA A 62 -0.110 2.987 -1.067 1.00 52.32 N ATOM 970 CA ALA A 62 0.056 3.960 0.007 1.00 5.34 C ATOM 971 C ALA A 62 1.493 4.461 0.077 1.00 74.12 C ATOM 972 O ALA A 62 2.432 3.671 0.173 1.00 22.24 O ATOM 973 CB ALA A 62 -0.360 3.351 1.338 1.00 70.13 C ATOM 0 H ALA A 62 0.626 2.283 -1.115 1.00 52.32 H new ATOM 0 HA ALA A 62 -0.587 4.814 -0.206 1.00 5.34 H new ATOM 0 HB1 ALA A 62 -0.231 4.087 2.131 1.00 70.13 H new ATOM 0 HB2 ALA A 62 -1.406 3.050 1.289 1.00 70.13 H new ATOM 0 HB3 ALA A 62 0.259 2.479 1.549 1.00 70.13 H new ATOM 979 N ASN A 63 1.658 5.779 0.027 1.00 54.44 N ATOM 980 CA ASN A 63 2.984 6.385 0.083 1.00 22.13 C ATOM 981 C ASN A 63 3.369 6.718 1.522 1.00 41.41 C ATOM 982 O ASN A 63 2.754 7.573 2.159 1.00 1.32 O ATOM 983 CB ASN A 63 3.024 7.653 -0.773 1.00 74.33 C ATOM 984 CG ASN A 63 4.413 8.257 -0.846 1.00 52.45 C ATOM 985 OD1 ASN A 63 5.064 8.470 0.176 1.00 73.12 O ATOM 986 ND2 ASN A 63 4.873 8.535 -2.061 1.00 54.14 N ATOM 0 H ASN A 63 0.891 6.447 -0.052 1.00 54.44 H new ATOM 0 HA ASN A 63 3.702 5.666 -0.310 1.00 22.13 H new ATOM 0 HB2 ASN A 63 2.679 7.419 -1.780 1.00 74.33 H new ATOM 0 HB3 ASN A 63 2.332 8.388 -0.362 1.00 74.33 H new ATOM 0 HD21 ASN A 63 5.801 8.942 -2.174 1.00 54.14 H new ATOM 0 HD22 ASN A 63 4.298 8.341 -2.881 1.00 54.14 H new ATOM 993 N PHE A 64 4.391 6.036 2.027 1.00 53.32 N ATOM 994 CA PHE A 64 4.860 6.258 3.390 1.00 22.12 C ATOM 995 C PHE A 64 5.542 7.617 3.517 1.00 10.25 C ATOM 996 O PHE A 64 6.432 7.952 2.736 1.00 55.03 O ATOM 997 CB PHE A 64 5.827 5.148 3.808 1.00 2.10 C ATOM 998 CG PHE A 64 5.252 4.202 4.823 1.00 63.13 C ATOM 999 CD1 PHE A 64 5.201 4.550 6.163 1.00 63.31 C ATOM 1000 CD2 PHE A 64 4.763 2.965 4.436 1.00 32.15 C ATOM 1001 CE1 PHE A 64 4.673 3.681 7.098 1.00 32.53 C ATOM 1002 CE2 PHE A 64 4.233 2.092 5.368 1.00 13.44 C ATOM 1003 CZ PHE A 64 4.187 2.451 6.701 1.00 55.13 C ATOM 0 H PHE A 64 4.911 5.325 1.513 1.00 53.32 H new ATOM 0 HA PHE A 64 3.994 6.243 4.051 1.00 22.12 H new ATOM 0 HB2 PHE A 64 6.123 4.583 2.924 1.00 2.10 H new ATOM 0 HB3 PHE A 64 6.731 5.600 4.216 1.00 2.10 H new ATOM 0 HD1 PHE A 64 5.578 5.511 6.480 1.00 63.31 H new ATOM 0 HD2 PHE A 64 4.796 2.679 3.395 1.00 32.15 H new ATOM 0 HE1 PHE A 64 4.640 3.964 8.140 1.00 32.53 H new ATOM 0 HE2 PHE A 64 3.855 1.130 5.054 1.00 13.44 H new ATOM 0 HZ PHE A 64 3.772 1.772 7.431 1.00 55.13 H new ATOM 1013 N VAL A 65 5.116 8.396 4.506 1.00 31.04 N ATOM 1014 CA VAL A 65 5.685 9.719 4.736 1.00 62.32 C ATOM 1015 C VAL A 65 7.176 9.630 5.041 1.00 12.35 C ATOM 1016 O VAL A 65 7.925 10.581 4.816 1.00 11.13 O ATOM 1017 CB VAL A 65 4.977 10.440 5.898 1.00 21.25 C ATOM 1018 CG1 VAL A 65 5.715 11.720 6.261 1.00 22.24 C ATOM 1019 CG2 VAL A 65 3.528 10.734 5.539 1.00 41.32 C ATOM 0 H VAL A 65 4.379 8.134 5.161 1.00 31.04 H new ATOM 0 HA VAL A 65 5.538 10.291 3.820 1.00 62.32 H new ATOM 0 HB VAL A 65 4.986 9.784 6.769 1.00 21.25 H new ATOM 0 HG11 VAL A 65 5.200 12.216 7.084 1.00 22.24 H new ATOM 0 HG12 VAL A 65 6.734 11.479 6.563 1.00 22.24 H new ATOM 0 HG13 VAL A 65 5.740 12.383 5.396 1.00 22.24 H new ATOM 0 HG21 VAL A 65 3.043 11.244 6.372 1.00 41.32 H new ATOM 0 HG22 VAL A 65 3.494 11.370 4.655 1.00 41.32 H new ATOM 0 HG23 VAL A 65 3.007 9.799 5.333 1.00 41.32 H new ATOM 1029 N LYS A 66 7.602 8.481 5.555 1.00 4.41 N ATOM 1030 CA LYS A 66 9.004 8.265 5.890 1.00 10.21 C ATOM 1031 C LYS A 66 9.536 7.002 5.220 1.00 3.42 C ATOM 1032 O LYS A 66 8.841 6.368 4.425 1.00 2.14 O ATOM 1033 CB LYS A 66 9.177 8.162 7.407 1.00 42.44 C ATOM 1034 CG LYS A 66 8.180 7.228 8.071 1.00 75.34 C ATOM 1035 CD LYS A 66 6.975 7.986 8.601 1.00 44.41 C ATOM 1036 CE LYS A 66 7.173 8.408 10.048 1.00 64.10 C ATOM 1037 NZ LYS A 66 6.284 9.542 10.422 1.00 21.11 N ATOM 0 H LYS A 66 6.995 7.684 5.749 1.00 4.41 H new ATOM 0 HA LYS A 66 9.575 9.118 5.522 1.00 10.21 H new ATOM 0 HB2 LYS A 66 10.187 7.817 7.626 1.00 42.44 H new ATOM 0 HB3 LYS A 66 9.078 9.156 7.844 1.00 42.44 H new ATOM 0 HG2 LYS A 66 7.851 6.476 7.354 1.00 75.34 H new ATOM 0 HG3 LYS A 66 8.666 6.697 8.890 1.00 75.34 H new ATOM 0 HD2 LYS A 66 6.799 8.868 7.985 1.00 44.41 H new ATOM 0 HD3 LYS A 66 6.087 7.359 8.522 1.00 44.41 H new ATOM 0 HE2 LYS A 66 6.975 7.560 10.704 1.00 64.10 H new ATOM 0 HE3 LYS A 66 8.213 8.695 10.203 1.00 64.10 H new ATOM 0 HZ1 LYS A 66 6.450 9.800 11.416 1.00 21.11 H new ATOM 0 HZ2 LYS A 66 6.490 10.360 9.813 1.00 21.11 H new ATOM 0 HZ3 LYS A 66 5.291 9.260 10.298 1.00 21.11 H new ATOM 1051 N LYS A 67 10.772 6.640 5.546 1.00 42.14 N ATOM 1052 CA LYS A 67 11.396 5.450 4.978 1.00 21.51 C ATOM 1053 C LYS A 67 11.110 4.223 5.838 1.00 52.14 C ATOM 1054 O LYS A 67 11.426 4.201 7.027 1.00 30.44 O ATOM 1055 CB LYS A 67 12.907 5.656 4.849 1.00 51.52 C ATOM 1056 CG LYS A 67 13.300 6.584 3.713 1.00 42.01 C ATOM 1057 CD LYS A 67 13.382 5.842 2.390 1.00 41.10 C ATOM 1058 CE LYS A 67 14.735 6.037 1.724 1.00 42.32 C ATOM 1059 NZ LYS A 67 14.619 6.107 0.241 1.00 44.02 N ATOM 0 H LYS A 67 11.362 7.154 6.201 1.00 42.14 H new ATOM 0 HA LYS A 67 10.972 5.284 3.988 1.00 21.51 H new ATOM 0 HB2 LYS A 67 13.291 6.059 5.786 1.00 51.52 H new ATOM 0 HB3 LYS A 67 13.386 4.688 4.698 1.00 51.52 H new ATOM 0 HG2 LYS A 67 12.572 7.392 3.634 1.00 42.01 H new ATOM 0 HG3 LYS A 67 14.263 7.043 3.934 1.00 42.01 H new ATOM 0 HD2 LYS A 67 13.207 4.779 2.556 1.00 41.10 H new ATOM 0 HD3 LYS A 67 12.594 6.194 1.725 1.00 41.10 H new ATOM 0 HE2 LYS A 67 15.194 6.953 2.096 1.00 42.32 H new ATOM 0 HE3 LYS A 67 15.396 5.215 1.998 1.00 42.32 H new ATOM 0 HZ1 LYS A 67 15.563 6.240 -0.175 1.00 44.02 H new ATOM 0 HZ2 LYS A 67 14.205 5.223 -0.117 1.00 44.02 H new ATOM 0 HZ3 LYS A 67 14.009 6.907 -0.022 1.00 44.02 H new ATOM 1073 N GLN A 68 10.514 3.205 5.227 1.00 12.23 N ATOM 1074 CA GLN A 68 10.187 1.974 5.938 1.00 41.03 C ATOM 1075 C GLN A 68 10.570 0.750 5.111 1.00 32.24 C ATOM 1076 O GLN A 68 10.621 0.809 3.882 1.00 54.33 O ATOM 1077 CB GLN A 68 8.695 1.933 6.270 1.00 12.05 C ATOM 1078 CG GLN A 68 8.242 3.067 7.176 1.00 43.20 C ATOM 1079 CD GLN A 68 8.901 3.023 8.540 1.00 22.04 C ATOM 1080 OE1 GLN A 68 9.630 2.084 8.860 1.00 4.24 O ATOM 1081 NE2 GLN A 68 8.647 4.042 9.353 1.00 42.02 N ATOM 0 H GLN A 68 10.248 3.208 4.242 1.00 12.23 H new ATOM 0 HA GLN A 68 10.759 1.957 6.866 1.00 41.03 H new ATOM 0 HB2 GLN A 68 8.124 1.970 5.342 1.00 12.05 H new ATOM 0 HB3 GLN A 68 8.464 0.982 6.749 1.00 12.05 H new ATOM 0 HG2 GLN A 68 8.467 4.021 6.698 1.00 43.20 H new ATOM 0 HG3 GLN A 68 7.160 3.019 7.298 1.00 43.20 H new ATOM 0 HE21 GLN A 68 8.037 4.799 9.046 1.00 42.02 H new ATOM 0 HE22 GLN A 68 9.062 4.067 10.284 1.00 42.02 H new ATOM 1090 N THR A 69 10.839 -0.359 5.794 1.00 24.30 N ATOM 1091 CA THR A 69 11.219 -1.595 5.124 1.00 41.42 C ATOM 1092 C THR A 69 10.005 -2.485 4.882 1.00 31.11 C ATOM 1093 O THR A 69 8.909 -2.201 5.366 1.00 52.30 O ATOM 1094 CB THR A 69 12.261 -2.381 5.943 1.00 25.31 C ATOM 1095 OG1 THR A 69 11.619 -3.068 7.023 1.00 60.41 O ATOM 1096 CG2 THR A 69 13.331 -1.449 6.491 1.00 14.15 C ATOM 0 H THR A 69 10.800 -0.425 6.811 1.00 24.30 H new ATOM 0 HA THR A 69 11.657 -1.313 4.166 1.00 41.42 H new ATOM 0 HB THR A 69 12.737 -3.108 5.284 1.00 25.31 H new ATOM 0 HG1 THR A 69 12.288 -3.566 7.537 1.00 60.41 H new ATOM 0 HG21 THR A 69 14.056 -2.025 7.066 1.00 14.15 H new ATOM 0 HG22 THR A 69 13.837 -0.950 5.664 1.00 14.15 H new ATOM 0 HG23 THR A 69 12.868 -0.702 7.136 1.00 14.15 H new ATOM 1104 N PHE A 70 10.206 -3.562 4.130 1.00 70.25 N ATOM 1105 CA PHE A 70 9.127 -4.493 3.824 1.00 42.25 C ATOM 1106 C PHE A 70 8.579 -5.128 5.098 1.00 51.43 C ATOM 1107 O PHE A 70 7.378 -5.082 5.361 1.00 43.10 O ATOM 1108 CB PHE A 70 9.620 -5.582 2.868 1.00 71.42 C ATOM 1109 CG PHE A 70 8.781 -6.827 2.894 1.00 35.00 C ATOM 1110 CD1 PHE A 70 7.555 -6.866 2.250 1.00 54.54 C ATOM 1111 CD2 PHE A 70 9.219 -7.958 3.564 1.00 14.44 C ATOM 1112 CE1 PHE A 70 6.781 -8.012 2.272 1.00 70.24 C ATOM 1113 CE2 PHE A 70 8.449 -9.107 3.590 1.00 21.44 C ATOM 1114 CZ PHE A 70 7.228 -9.132 2.944 1.00 14.31 C ATOM 0 H PHE A 70 11.107 -3.811 3.721 1.00 70.25 H new ATOM 0 HA PHE A 70 8.324 -3.934 3.344 1.00 42.25 H new ATOM 0 HB2 PHE A 70 9.634 -5.184 1.853 1.00 71.42 H new ATOM 0 HB3 PHE A 70 10.648 -5.841 3.123 1.00 71.42 H new ATOM 0 HD1 PHE A 70 7.200 -5.992 1.725 1.00 54.54 H new ATOM 0 HD2 PHE A 70 10.172 -7.942 4.072 1.00 14.44 H new ATOM 0 HE1 PHE A 70 5.828 -8.031 1.764 1.00 70.24 H new ATOM 0 HE2 PHE A 70 8.802 -9.983 4.114 1.00 21.44 H new ATOM 0 HZ PHE A 70 6.624 -10.027 2.965 1.00 14.31 H new ATOM 1124 N ASN A 71 9.470 -5.724 5.885 1.00 64.01 N ATOM 1125 CA ASN A 71 9.076 -6.370 7.131 1.00 12.03 C ATOM 1126 C ASN A 71 8.448 -5.365 8.092 1.00 1.42 C ATOM 1127 O ASN A 71 7.445 -5.656 8.745 1.00 42.25 O ATOM 1128 CB ASN A 71 10.287 -7.034 7.790 1.00 73.30 C ATOM 1129 CG ASN A 71 10.051 -8.501 8.092 1.00 24.23 C ATOM 1130 OD1 ASN A 71 9.100 -8.858 8.789 1.00 31.13 O ATOM 1131 ND2 ASN A 71 10.916 -9.360 7.565 1.00 33.33 N ATOM 0 H ASN A 71 10.468 -5.773 5.682 1.00 64.01 H new ATOM 0 HA ASN A 71 8.334 -7.133 6.896 1.00 12.03 H new ATOM 0 HB2 ASN A 71 11.153 -6.936 7.135 1.00 73.30 H new ATOM 0 HB3 ASN A 71 10.526 -6.510 8.715 1.00 73.30 H new ATOM 0 HD21 ASN A 71 10.807 -10.360 7.732 1.00 33.33 H new ATOM 0 HD22 ASN A 71 11.689 -9.019 6.994 1.00 33.33 H new ATOM 1138 N LYS A 72 9.043 -4.181 8.172 1.00 63.41 N ATOM 1139 CA LYS A 72 8.542 -3.130 9.050 1.00 74.34 C ATOM 1140 C LYS A 72 7.158 -2.666 8.609 1.00 30.11 C ATOM 1141 O LYS A 72 6.234 -2.579 9.418 1.00 34.32 O ATOM 1142 CB LYS A 72 9.509 -1.943 9.063 1.00 31.12 C ATOM 1143 CG LYS A 72 9.544 -1.201 10.387 1.00 12.22 C ATOM 1144 CD LYS A 72 8.159 -0.732 10.800 1.00 64.43 C ATOM 1145 CE LYS A 72 8.217 0.166 12.027 1.00 22.22 C ATOM 1146 NZ LYS A 72 8.746 -0.556 13.217 1.00 0.44 N ATOM 0 H LYS A 72 9.874 -3.924 7.639 1.00 63.41 H new ATOM 0 HA LYS A 72 8.465 -3.539 10.057 1.00 74.34 H new ATOM 0 HB2 LYS A 72 10.512 -2.300 8.830 1.00 31.12 H new ATOM 0 HB3 LYS A 72 9.227 -1.247 8.273 1.00 31.12 H new ATOM 0 HG2 LYS A 72 9.954 -1.852 11.159 1.00 12.22 H new ATOM 0 HG3 LYS A 72 10.211 -0.343 10.307 1.00 12.22 H new ATOM 0 HD2 LYS A 72 7.695 -0.192 9.974 1.00 64.43 H new ATOM 0 HD3 LYS A 72 7.529 -1.596 11.010 1.00 64.43 H new ATOM 0 HE2 LYS A 72 8.848 1.029 11.816 1.00 22.22 H new ATOM 0 HE3 LYS A 72 7.219 0.546 12.247 1.00 22.22 H new ATOM 0 HZ1 LYS A 72 8.691 0.063 14.051 1.00 0.44 H new ATOM 0 HZ2 LYS A 72 8.180 -1.413 13.383 1.00 0.44 H new ATOM 0 HZ3 LYS A 72 9.737 -0.823 13.049 1.00 0.44 H new ATOM 1160 N VAL A 73 7.020 -2.370 7.321 1.00 44.43 N ATOM 1161 CA VAL A 73 5.748 -1.918 6.771 1.00 63.02 C ATOM 1162 C VAL A 73 4.627 -2.896 7.105 1.00 2.11 C ATOM 1163 O VAL A 73 3.456 -2.519 7.168 1.00 71.21 O ATOM 1164 CB VAL A 73 5.825 -1.746 5.243 1.00 70.34 C ATOM 1165 CG1 VAL A 73 4.432 -1.609 4.649 1.00 44.24 C ATOM 1166 CG2 VAL A 73 6.686 -0.542 4.886 1.00 33.10 C ATOM 0 H VAL A 73 7.775 -2.435 6.638 1.00 44.43 H new ATOM 0 HA VAL A 73 5.532 -0.952 7.227 1.00 63.02 H new ATOM 0 HB VAL A 73 6.289 -2.636 4.818 1.00 70.34 H new ATOM 0 HG11 VAL A 73 4.508 -1.488 3.568 1.00 44.24 H new ATOM 0 HG12 VAL A 73 3.851 -2.503 4.875 1.00 44.24 H new ATOM 0 HG13 VAL A 73 3.938 -0.737 5.078 1.00 44.24 H new ATOM 0 HG21 VAL A 73 6.730 -0.435 3.802 1.00 33.10 H new ATOM 0 HG22 VAL A 73 6.252 0.358 5.322 1.00 33.10 H new ATOM 0 HG23 VAL A 73 7.693 -0.686 5.277 1.00 33.10 H new ATOM 1176 N LYS A 74 4.992 -4.155 7.319 1.00 43.44 N ATOM 1177 CA LYS A 74 4.018 -5.190 7.648 1.00 64.24 C ATOM 1178 C LYS A 74 3.354 -4.904 8.990 1.00 21.21 C ATOM 1179 O LYS A 74 2.353 -5.528 9.344 1.00 41.13 O ATOM 1180 CB LYS A 74 4.694 -6.562 7.683 1.00 45.35 C ATOM 1181 CG LYS A 74 5.393 -6.930 6.385 1.00 45.11 C ATOM 1182 CD LYS A 74 5.129 -8.377 6.000 1.00 73.40 C ATOM 1183 CE LYS A 74 4.105 -8.478 4.881 1.00 63.42 C ATOM 1184 NZ LYS A 74 4.041 -9.852 4.309 1.00 14.00 N ATOM 0 H LYS A 74 5.956 -4.484 7.271 1.00 43.44 H new ATOM 0 HA LYS A 74 3.249 -5.190 6.875 1.00 64.24 H new ATOM 0 HB2 LYS A 74 5.421 -6.579 8.495 1.00 45.35 H new ATOM 0 HB3 LYS A 74 3.945 -7.321 7.910 1.00 45.35 H new ATOM 0 HG2 LYS A 74 5.050 -6.272 5.587 1.00 45.11 H new ATOM 0 HG3 LYS A 74 6.466 -6.771 6.491 1.00 45.11 H new ATOM 0 HD2 LYS A 74 6.061 -8.847 5.685 1.00 73.40 H new ATOM 0 HD3 LYS A 74 4.773 -8.927 6.871 1.00 73.40 H new ATOM 0 HE2 LYS A 74 3.123 -8.197 5.261 1.00 63.42 H new ATOM 0 HE3 LYS A 74 4.357 -7.768 4.093 1.00 63.42 H new ATOM 0 HZ1 LYS A 74 3.099 -10.014 3.899 1.00 14.00 H new ATOM 0 HZ2 LYS A 74 4.763 -9.953 3.568 1.00 14.00 H new ATOM 0 HZ3 LYS A 74 4.216 -10.549 5.060 1.00 14.00 H new ATOM 1198 N TRP A 75 3.916 -3.957 9.733 1.00 33.24 N ATOM 1199 CA TRP A 75 3.376 -3.588 11.037 1.00 22.40 C ATOM 1200 C TRP A 75 2.035 -2.876 10.889 1.00 72.12 C ATOM 1201 O TRP A 75 1.249 -2.813 11.834 1.00 1.13 O ATOM 1202 CB TRP A 75 4.364 -2.691 11.785 1.00 22.03 C ATOM 1203 CG TRP A 75 4.337 -1.264 11.325 1.00 41.43 C ATOM 1204 CD1 TRP A 75 4.224 -0.821 10.038 1.00 34.32 C ATOM 1205 CD2 TRP A 75 4.428 -0.096 12.148 1.00 51.53 C ATOM 1206 NE1 TRP A 75 4.239 0.553 10.012 1.00 73.00 N ATOM 1207 CE2 TRP A 75 4.362 1.021 11.293 1.00 33.32 C ATOM 1208 CE3 TRP A 75 4.556 0.114 13.524 1.00 44.40 C ATOM 1209 CZ2 TRP A 75 4.421 2.327 11.772 1.00 74.32 C ATOM 1210 CZ3 TRP A 75 4.615 1.410 13.996 1.00 22.05 C ATOM 1211 CH2 TRP A 75 4.547 2.504 13.123 1.00 11.42 C ATOM 0 H TRP A 75 4.745 -3.431 9.455 1.00 33.24 H new ATOM 0 HA TRP A 75 3.220 -4.502 11.610 1.00 22.40 H new ATOM 0 HB2 TRP A 75 4.140 -2.726 12.851 1.00 22.03 H new ATOM 0 HB3 TRP A 75 5.371 -3.087 11.658 1.00 22.03 H new ATOM 0 HD1 TRP A 75 4.136 -1.456 9.169 1.00 34.32 H new ATOM 0 HE1 TRP A 75 4.170 1.131 9.174 1.00 73.00 H new ATOM 0 HE3 TRP A 75 4.608 -0.722 14.205 1.00 44.40 H new ATOM 0 HZ2 TRP A 75 4.369 3.171 11.100 1.00 74.32 H new ATOM 0 HZ3 TRP A 75 4.715 1.584 15.057 1.00 22.05 H new ATOM 0 HH2 TRP A 75 4.595 3.506 13.524 1.00 11.42 H new ATOM 1222 N TYR A 76 1.781 -2.343 9.700 1.00 61.21 N ATOM 1223 CA TYR A 76 0.537 -1.633 9.430 1.00 3.31 C ATOM 1224 C TYR A 76 -0.312 -2.390 8.411 1.00 35.10 C ATOM 1225 O TYR A 76 -1.497 -2.640 8.636 1.00 71.53 O ATOM 1226 CB TYR A 76 0.829 -0.222 8.919 1.00 44.13 C ATOM 1227 CG TYR A 76 0.638 0.853 9.965 1.00 54.33 C ATOM 1228 CD1 TYR A 76 -0.441 0.815 10.839 1.00 53.21 C ATOM 1229 CD2 TYR A 76 1.539 1.905 10.081 1.00 45.42 C ATOM 1230 CE1 TYR A 76 -0.619 1.796 11.796 1.00 2.42 C ATOM 1231 CE2 TYR A 76 1.368 2.889 11.035 1.00 75.20 C ATOM 1232 CZ TYR A 76 0.288 2.830 11.890 1.00 22.11 C ATOM 1233 OH TYR A 76 0.115 3.808 12.843 1.00 2.20 O ATOM 0 H TYR A 76 2.421 -2.389 8.907 1.00 61.21 H new ATOM 0 HA TYR A 76 -0.022 -1.565 10.363 1.00 3.31 H new ATOM 0 HB2 TYR A 76 1.855 -0.182 8.553 1.00 44.13 H new ATOM 0 HB3 TYR A 76 0.179 -0.010 8.070 1.00 44.13 H new ATOM 0 HD1 TYR A 76 -1.153 0.005 10.770 1.00 53.21 H new ATOM 0 HD2 TYR A 76 2.387 1.954 9.414 1.00 45.42 H new ATOM 0 HE1 TYR A 76 -1.464 1.753 12.467 1.00 2.42 H new ATOM 0 HE2 TYR A 76 2.077 3.700 11.111 1.00 75.20 H new ATOM 0 HH TYR A 76 0.989 4.158 13.115 1.00 2.20 H new ATOM 1243 N LEU A 77 0.304 -2.751 7.291 1.00 12.32 N ATOM 1244 CA LEU A 77 -0.392 -3.480 6.237 1.00 3.23 C ATOM 1245 C LEU A 77 -0.644 -4.927 6.650 1.00 42.31 C ATOM 1246 O LEU A 77 -1.401 -5.646 5.998 1.00 51.11 O ATOM 1247 CB LEU A 77 0.420 -3.442 4.941 1.00 20.42 C ATOM 1248 CG LEU A 77 0.464 -2.096 4.216 1.00 34.21 C ATOM 1249 CD1 LEU A 77 1.497 -2.125 3.101 1.00 71.11 C ATOM 1250 CD2 LEU A 77 -0.909 -1.741 3.665 1.00 11.41 C ATOM 0 H LEU A 77 1.284 -2.551 7.089 1.00 12.32 H new ATOM 0 HA LEU A 77 -1.354 -2.996 6.070 1.00 3.23 H new ATOM 0 HB2 LEU A 77 1.443 -3.744 5.167 1.00 20.42 H new ATOM 0 HB3 LEU A 77 0.012 -4.187 4.258 1.00 20.42 H new ATOM 0 HG LEU A 77 0.754 -1.328 4.933 1.00 34.21 H new ATOM 0 HD11 LEU A 77 1.515 -1.159 2.596 1.00 71.11 H new ATOM 0 HD12 LEU A 77 2.481 -2.332 3.522 1.00 71.11 H new ATOM 0 HD13 LEU A 77 1.237 -2.904 2.385 1.00 71.11 H new ATOM 0 HD21 LEU A 77 -0.858 -0.780 3.153 1.00 11.41 H new ATOM 0 HD22 LEU A 77 -1.229 -2.510 2.962 1.00 11.41 H new ATOM 0 HD23 LEU A 77 -1.625 -1.678 4.485 1.00 11.41 H new ATOM 1262 N GLY A 78 -0.007 -5.346 7.738 1.00 55.32 N ATOM 1263 CA GLY A 78 -0.177 -6.704 8.221 1.00 42.10 C ATOM 1264 C GLY A 78 0.419 -7.732 7.280 1.00 12.40 C ATOM 1265 O GLY A 78 0.558 -7.482 6.083 1.00 40.01 O ATOM 0 H GLY A 78 0.624 -4.769 8.294 1.00 55.32 H new ATOM 0 HA2 GLY A 78 0.290 -6.799 9.201 1.00 42.10 H new ATOM 0 HA3 GLY A 78 -1.239 -6.909 8.353 1.00 42.10 H new ATOM 1269 N ALA A 79 0.775 -8.893 7.822 1.00 10.03 N ATOM 1270 CA ALA A 79 1.359 -9.962 7.023 1.00 5.42 C ATOM 1271 C ALA A 79 0.297 -10.663 6.182 1.00 21.33 C ATOM 1272 O ALA A 79 0.591 -11.201 5.115 1.00 52.05 O ATOM 1273 CB ALA A 79 2.069 -10.965 7.921 1.00 1.40 C ATOM 0 H ALA A 79 0.669 -9.116 8.812 1.00 10.03 H new ATOM 0 HA ALA A 79 2.087 -9.518 6.345 1.00 5.42 H new ATOM 0 HB1 ALA A 79 2.501 -11.758 7.311 1.00 1.40 H new ATOM 0 HB2 ALA A 79 2.861 -10.461 8.474 1.00 1.40 H new ATOM 0 HB3 ALA A 79 1.354 -11.395 8.622 1.00 1.40 H new ATOM 1279 N ARG A 80 -0.940 -10.651 6.670 1.00 54.35 N ATOM 1280 CA ARG A 80 -2.046 -11.286 5.963 1.00 14.24 C ATOM 1281 C ARG A 80 -2.135 -10.782 4.526 1.00 73.13 C ATOM 1282 O ARG A 80 -2.345 -11.562 3.596 1.00 63.42 O ATOM 1283 CB ARG A 80 -3.364 -11.020 6.691 1.00 25.25 C ATOM 1284 CG ARG A 80 -3.362 -11.475 8.141 1.00 23.35 C ATOM 1285 CD ARG A 80 -4.485 -12.464 8.416 1.00 21.12 C ATOM 1286 NE ARG A 80 -4.323 -13.701 7.656 1.00 63.42 N ATOM 1287 CZ ARG A 80 -5.040 -14.797 7.876 1.00 75.34 C ATOM 1288 NH1 ARG A 80 -5.962 -14.810 8.828 1.00 40.33 N ATOM 1289 NH2 ARG A 80 -4.833 -15.883 7.142 1.00 2.45 N ATOM 0 H ARG A 80 -1.201 -10.209 7.551 1.00 54.35 H new ATOM 0 HA ARG A 80 -1.861 -12.360 5.941 1.00 14.24 H new ATOM 0 HB2 ARG A 80 -3.580 -9.952 6.655 1.00 25.25 H new ATOM 0 HB3 ARG A 80 -4.171 -11.527 6.161 1.00 25.25 H new ATOM 0 HG2 ARG A 80 -2.403 -11.936 8.377 1.00 23.35 H new ATOM 0 HG3 ARG A 80 -3.469 -10.610 8.795 1.00 23.35 H new ATOM 0 HD2 ARG A 80 -4.513 -12.694 9.481 1.00 21.12 H new ATOM 0 HD3 ARG A 80 -5.441 -12.006 8.164 1.00 21.12 H new ATOM 0 HE ARG A 80 -3.621 -13.724 6.916 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -6.122 -13.977 9.394 1.00 40.33 H new ATOM 0 HH12 ARG A 80 -6.511 -15.653 8.995 1.00 40.33 H new ATOM 0 HH21 ARG A 80 -4.123 -15.876 6.409 1.00 2.45 H new ATOM 0 HH22 ARG A 80 -5.383 -16.725 7.311 1.00 2.45 H new ATOM 1303 N CYS A 81 -1.973 -9.475 4.353 1.00 65.14 N ATOM 1304 CA CYS A 81 -2.037 -8.867 3.029 1.00 72.44 C ATOM 1305 C CYS A 81 -0.648 -8.786 2.400 1.00 20.14 C ATOM 1306 O CYS A 81 0.302 -8.316 3.026 1.00 2.14 O ATOM 1307 CB CYS A 81 -2.651 -7.469 3.116 1.00 73.12 C ATOM 1308 SG CYS A 81 -4.124 -7.374 4.161 1.00 42.11 S ATOM 0 H CYS A 81 -1.797 -8.817 5.112 1.00 65.14 H new ATOM 0 HA CYS A 81 -2.667 -9.495 2.398 1.00 72.44 H new ATOM 0 HB2 CYS A 81 -1.901 -6.778 3.500 1.00 73.12 H new ATOM 0 HB3 CYS A 81 -2.909 -7.134 2.111 1.00 73.12 H new ATOM 0 HG CYS A 81 -4.265 -8.489 4.815 1.00 42.11 H new ATOM 1314 N HIS A 82 -0.539 -9.251 1.159 1.00 11.31 N ATOM 1315 CA HIS A 82 0.733 -9.234 0.446 1.00 62.32 C ATOM 1316 C HIS A 82 1.100 -7.814 0.024 1.00 34.24 C ATOM 1317 O HIS A 82 0.313 -7.127 -0.629 1.00 11.25 O ATOM 1318 CB HIS A 82 0.666 -10.141 -0.782 1.00 21.12 C ATOM 1319 CG HIS A 82 2.011 -10.558 -1.293 1.00 3.30 C ATOM 1320 ND1 HIS A 82 2.790 -11.510 -0.669 1.00 64.04 N ATOM 1321 CD2 HIS A 82 2.712 -10.149 -2.375 1.00 43.44 C ATOM 1322 CE1 HIS A 82 3.914 -11.667 -1.346 1.00 62.12 C ATOM 1323 NE2 HIS A 82 3.892 -10.853 -2.386 1.00 11.05 N ATOM 0 H HIS A 82 -1.316 -9.644 0.627 1.00 11.31 H new ATOM 0 HA HIS A 82 1.504 -9.605 1.121 1.00 62.32 H new ATOM 0 HB2 HIS A 82 0.088 -11.032 -0.535 1.00 21.12 H new ATOM 0 HB3 HIS A 82 0.129 -9.623 -1.577 1.00 21.12 H new ATOM 0 HD2 HIS A 82 2.402 -9.407 -3.096 1.00 43.44 H new ATOM 0 HE1 HIS A 82 4.715 -12.346 -1.092 1.00 62.12 H new ATOM 0 HE2 HIS A 82 4.631 -10.762 -3.084 1.00 11.05 H new ATOM 1331 N ILE A 83 2.298 -7.380 0.402 1.00 22.02 N ATOM 1332 CA ILE A 83 2.768 -6.043 0.063 1.00 3.22 C ATOM 1333 C ILE A 83 3.953 -6.103 -0.894 1.00 52.24 C ATOM 1334 O ILE A 83 4.743 -7.046 -0.860 1.00 74.05 O ATOM 1335 CB ILE A 83 3.178 -5.254 1.320 1.00 12.34 C ATOM 1336 CG1 ILE A 83 4.374 -5.923 2.001 1.00 24.21 C ATOM 1337 CG2 ILE A 83 2.005 -5.146 2.284 1.00 43.52 C ATOM 1338 CD1 ILE A 83 4.842 -5.202 3.245 1.00 62.33 C ATOM 0 H ILE A 83 2.961 -7.935 0.943 1.00 22.02 H new ATOM 0 HA ILE A 83 1.937 -5.531 -0.422 1.00 3.22 H new ATOM 0 HB ILE A 83 3.470 -4.248 1.020 1.00 12.34 H new ATOM 0 HG12 ILE A 83 4.107 -6.947 2.263 1.00 24.21 H new ATOM 0 HG13 ILE A 83 5.200 -5.981 1.292 1.00 24.21 H new ATOM 0 HG21 ILE A 83 2.311 -4.586 3.168 1.00 43.52 H new ATOM 0 HG22 ILE A 83 1.179 -4.630 1.795 1.00 43.52 H new ATOM 0 HG23 ILE A 83 1.685 -6.145 2.581 1.00 43.52 H new ATOM 0 HD11 ILE A 83 5.692 -5.732 3.675 1.00 62.33 H new ATOM 0 HD12 ILE A 83 5.141 -4.186 2.986 1.00 62.33 H new ATOM 0 HD13 ILE A 83 4.031 -5.167 3.972 1.00 62.33 H new ATOM 1350 N GLU A 84 4.072 -5.090 -1.746 1.00 64.32 N ATOM 1351 CA GLU A 84 5.162 -5.028 -2.713 1.00 12.25 C ATOM 1352 C GLU A 84 5.543 -3.581 -3.010 1.00 72.34 C ATOM 1353 O GLU A 84 4.797 -2.653 -2.698 1.00 53.32 O ATOM 1354 CB GLU A 84 4.766 -5.739 -4.008 1.00 53.53 C ATOM 1355 CG GLU A 84 5.706 -6.870 -4.393 1.00 75.52 C ATOM 1356 CD GLU A 84 5.523 -7.317 -5.831 1.00 21.31 C ATOM 1357 OE1 GLU A 84 4.362 -7.412 -6.279 1.00 60.33 O ATOM 1358 OE2 GLU A 84 6.542 -7.571 -6.506 1.00 41.24 O ATOM 0 H GLU A 84 3.427 -4.301 -1.786 1.00 64.32 H new ATOM 0 HA GLU A 84 6.026 -5.532 -2.281 1.00 12.25 H new ATOM 0 HB2 GLU A 84 3.757 -6.137 -3.900 1.00 53.53 H new ATOM 0 HB3 GLU A 84 4.736 -5.011 -4.818 1.00 53.53 H new ATOM 0 HG2 GLU A 84 6.737 -6.547 -4.245 1.00 75.52 H new ATOM 0 HG3 GLU A 84 5.539 -7.718 -3.729 1.00 75.52 H new ATOM 1365 N LYS A 85 6.712 -3.396 -3.617 1.00 1.52 N ATOM 1366 CA LYS A 85 7.194 -2.063 -3.958 1.00 12.40 C ATOM 1367 C LYS A 85 6.484 -1.529 -5.197 1.00 65.03 C ATOM 1368 O LYS A 85 6.358 -2.228 -6.202 1.00 1.23 O ATOM 1369 CB LYS A 85 8.706 -2.091 -4.196 1.00 25.15 C ATOM 1370 CG LYS A 85 9.520 -2.206 -2.919 1.00 72.32 C ATOM 1371 CD LYS A 85 11.013 -2.187 -3.206 1.00 5.25 C ATOM 1372 CE LYS A 85 11.570 -3.594 -3.354 1.00 53.12 C ATOM 1373 NZ LYS A 85 12.862 -3.604 -4.095 1.00 24.21 N ATOM 0 H LYS A 85 7.342 -4.153 -3.882 1.00 1.52 H new ATOM 0 HA LYS A 85 6.976 -1.399 -3.121 1.00 12.40 H new ATOM 0 HB2 LYS A 85 8.947 -2.931 -4.848 1.00 25.15 H new ATOM 0 HB3 LYS A 85 8.999 -1.183 -4.724 1.00 25.15 H new ATOM 0 HG2 LYS A 85 9.267 -1.384 -2.250 1.00 72.32 H new ATOM 0 HG3 LYS A 85 9.260 -3.130 -2.402 1.00 72.32 H new ATOM 0 HD2 LYS A 85 11.202 -1.622 -4.119 1.00 5.25 H new ATOM 0 HD3 LYS A 85 11.533 -1.672 -2.399 1.00 5.25 H new ATOM 0 HE2 LYS A 85 11.714 -4.033 -2.367 1.00 53.12 H new ATOM 0 HE3 LYS A 85 10.846 -4.218 -3.878 1.00 53.12 H new ATOM 0 HZ1 LYS A 85 13.209 -4.581 -4.175 1.00 24.21 H new ATOM 0 HZ2 LYS A 85 12.720 -3.208 -5.046 1.00 24.21 H new ATOM 0 HZ3 LYS A 85 13.561 -3.029 -3.582 1.00 24.21 H new ATOM 1387 N ALA A 86 6.023 -0.285 -5.120 1.00 32.45 N ATOM 1388 CA ALA A 86 5.330 0.344 -6.236 1.00 24.43 C ATOM 1389 C ALA A 86 6.307 1.079 -7.147 1.00 44.54 C ATOM 1390 O ALA A 86 7.411 1.435 -6.733 1.00 22.43 O ATOM 1391 CB ALA A 86 4.263 1.302 -5.723 1.00 45.24 C ATOM 0 H ALA A 86 6.117 0.307 -4.295 1.00 32.45 H new ATOM 0 HA ALA A 86 4.849 -0.441 -6.820 1.00 24.43 H new ATOM 0 HB1 ALA A 86 3.753 1.765 -6.568 1.00 45.24 H new ATOM 0 HB2 ALA A 86 3.540 0.752 -5.120 1.00 45.24 H new ATOM 0 HB3 ALA A 86 4.731 2.075 -5.114 1.00 45.24 H new ATOM 1397 N LYS A 87 5.897 1.301 -8.391 1.00 4.41 N ATOM 1398 CA LYS A 87 6.736 1.992 -9.363 1.00 32.04 C ATOM 1399 C LYS A 87 5.888 2.816 -10.326 1.00 55.23 C ATOM 1400 O LYS A 87 4.799 2.401 -10.719 1.00 24.30 O ATOM 1401 CB LYS A 87 7.583 0.985 -10.145 1.00 32.52 C ATOM 1402 CG LYS A 87 6.792 0.197 -11.175 1.00 61.44 C ATOM 1403 CD LYS A 87 7.280 -1.239 -11.273 1.00 32.02 C ATOM 1404 CE LYS A 87 6.236 -2.139 -11.914 1.00 12.03 C ATOM 1405 NZ LYS A 87 6.833 -3.405 -12.422 1.00 5.21 N ATOM 0 H LYS A 87 4.987 1.012 -8.750 1.00 4.41 H new ATOM 0 HA LYS A 87 7.396 2.668 -8.819 1.00 32.04 H new ATOM 0 HB2 LYS A 87 8.391 1.516 -10.648 1.00 32.52 H new ATOM 0 HB3 LYS A 87 8.045 0.290 -9.444 1.00 32.52 H new ATOM 0 HG2 LYS A 87 5.735 0.206 -10.908 1.00 61.44 H new ATOM 0 HG3 LYS A 87 6.879 0.679 -12.149 1.00 61.44 H new ATOM 0 HD2 LYS A 87 8.199 -1.273 -11.857 1.00 32.02 H new ATOM 0 HD3 LYS A 87 7.521 -1.611 -10.277 1.00 32.02 H new ATOM 0 HE2 LYS A 87 5.459 -2.370 -11.185 1.00 12.03 H new ATOM 0 HE3 LYS A 87 5.755 -1.609 -12.736 1.00 12.03 H new ATOM 0 HZ1 LYS A 87 6.089 -3.992 -12.852 1.00 5.21 H new ATOM 0 HZ2 LYS A 87 7.557 -3.186 -13.136 1.00 5.21 H new ATOM 0 HZ3 LYS A 87 7.270 -3.923 -11.634 1.00 5.21 H new ATOM 1419 N GLY A 88 6.397 3.985 -10.704 1.00 2.21 N ATOM 1420 CA GLY A 88 5.673 4.848 -11.619 1.00 44.51 C ATOM 1421 C GLY A 88 5.395 6.217 -11.030 1.00 53.52 C ATOM 1422 O GLY A 88 5.792 6.507 -9.901 1.00 2.33 O ATOM 0 H GLY A 88 7.297 4.349 -10.393 1.00 2.21 H new ATOM 0 HA2 GLY A 88 6.248 4.962 -12.538 1.00 44.51 H new ATOM 0 HA3 GLY A 88 4.729 4.374 -11.890 1.00 44.51 H new ATOM 1426 N THR A 89 4.713 7.062 -11.797 1.00 74.22 N ATOM 1427 CA THR A 89 4.386 8.409 -11.346 1.00 34.11 C ATOM 1428 C THR A 89 3.094 8.419 -10.537 1.00 62.22 C ATOM 1429 O THR A 89 2.414 7.399 -10.422 1.00 50.23 O ATOM 1430 CB THR A 89 4.244 9.380 -12.532 1.00 21.32 C ATOM 1431 OG1 THR A 89 3.074 9.057 -13.292 1.00 12.43 O ATOM 1432 CG2 THR A 89 5.471 9.321 -13.431 1.00 4.14 C ATOM 0 H THR A 89 4.376 6.837 -12.733 1.00 74.22 H new ATOM 0 HA THR A 89 5.210 8.739 -10.714 1.00 34.11 H new ATOM 0 HB THR A 89 4.152 10.391 -12.136 1.00 21.32 H new ATOM 0 HG1 THR A 89 2.990 9.680 -14.044 1.00 12.43 H new ATOM 0 HG21 THR A 89 5.347 10.016 -14.262 1.00 4.14 H new ATOM 0 HG22 THR A 89 6.356 9.596 -12.857 1.00 4.14 H new ATOM 0 HG23 THR A 89 5.590 8.309 -13.819 1.00 4.14 H new ATOM 1440 N ASP A 90 2.760 9.577 -9.979 1.00 21.40 N ATOM 1441 CA ASP A 90 1.548 9.721 -9.182 1.00 1.15 C ATOM 1442 C ASP A 90 0.323 9.268 -9.971 1.00 10.31 C ATOM 1443 O ASP A 90 -0.571 8.618 -9.428 1.00 63.43 O ATOM 1444 CB ASP A 90 1.373 11.173 -8.735 1.00 52.35 C ATOM 1445 CG ASP A 90 1.051 12.099 -9.891 1.00 61.40 C ATOM 1446 OD1 ASP A 90 1.967 12.400 -10.685 1.00 33.21 O ATOM 1447 OD2 ASP A 90 -0.118 12.523 -10.001 1.00 63.32 O ATOM 0 H ASP A 90 3.312 10.430 -10.064 1.00 21.40 H new ATOM 0 HA ASP A 90 1.646 9.088 -8.300 1.00 1.15 H new ATOM 0 HB2 ASP A 90 0.574 11.229 -7.995 1.00 52.35 H new ATOM 0 HB3 ASP A 90 2.286 11.512 -8.245 1.00 52.35 H new ATOM 1452 N GLN A 91 0.288 9.617 -11.252 1.00 40.41 N ATOM 1453 CA GLN A 91 -0.828 9.248 -12.115 1.00 41.12 C ATOM 1454 C GLN A 91 -0.834 7.747 -12.384 1.00 42.35 C ATOM 1455 O GLN A 91 -1.894 7.129 -12.479 1.00 44.43 O ATOM 1456 CB GLN A 91 -0.754 10.015 -13.436 1.00 4.23 C ATOM 1457 CG GLN A 91 -1.428 11.377 -13.386 1.00 53.14 C ATOM 1458 CD GLN A 91 -2.875 11.297 -12.944 1.00 13.34 C ATOM 1459 OE1 GLN A 91 -3.195 11.537 -11.779 1.00 73.23 O ATOM 1460 NE2 GLN A 91 -3.761 10.959 -13.873 1.00 4.51 N ATOM 0 H GLN A 91 1.020 10.155 -11.716 1.00 40.41 H new ATOM 0 HA GLN A 91 -1.754 9.511 -11.603 1.00 41.12 H new ATOM 0 HB2 GLN A 91 0.292 10.146 -13.712 1.00 4.23 H new ATOM 0 HB3 GLN A 91 -1.218 9.417 -14.220 1.00 4.23 H new ATOM 0 HG2 GLN A 91 -0.879 12.025 -12.703 1.00 53.14 H new ATOM 0 HG3 GLN A 91 -1.378 11.839 -14.372 1.00 53.14 H new ATOM 0 HE21 GLN A 91 -3.453 10.769 -14.826 1.00 4.51 H new ATOM 0 HE22 GLN A 91 -4.750 10.890 -13.633 1.00 4.51 H new ATOM 1469 N GLN A 92 0.356 7.168 -12.508 1.00 15.22 N ATOM 1470 CA GLN A 92 0.486 5.739 -12.768 1.00 75.20 C ATOM 1471 C GLN A 92 -0.074 4.921 -11.609 1.00 1.33 C ATOM 1472 O GLN A 92 -0.743 3.910 -11.816 1.00 43.31 O ATOM 1473 CB GLN A 92 1.953 5.373 -13.003 1.00 21.41 C ATOM 1474 CG GLN A 92 2.350 5.365 -14.471 1.00 21.32 C ATOM 1475 CD GLN A 92 3.146 4.134 -14.853 1.00 52.33 C ATOM 1476 OE1 GLN A 92 2.586 3.056 -15.056 1.00 65.30 O ATOM 1477 NE2 GLN A 92 4.462 4.286 -14.953 1.00 11.14 N ATOM 0 H GLN A 92 1.243 7.666 -12.433 1.00 15.22 H new ATOM 0 HA GLN A 92 -0.088 5.505 -13.665 1.00 75.20 H new ATOM 0 HB2 GLN A 92 2.586 6.081 -12.468 1.00 21.41 H new ATOM 0 HB3 GLN A 92 2.146 4.388 -12.578 1.00 21.41 H new ATOM 0 HG2 GLN A 92 1.452 5.418 -15.087 1.00 21.32 H new ATOM 0 HG3 GLN A 92 2.939 6.256 -14.689 1.00 21.32 H new ATOM 0 HE21 GLN A 92 4.885 5.197 -14.776 1.00 11.14 H new ATOM 0 HE22 GLN A 92 5.049 3.492 -15.207 1.00 11.14 H new ATOM 1486 N ASN A 93 0.205 5.366 -10.388 1.00 4.42 N ATOM 1487 CA ASN A 93 -0.271 4.675 -9.196 1.00 15.24 C ATOM 1488 C ASN A 93 -1.749 4.967 -8.950 1.00 34.01 C ATOM 1489 O ASN A 93 -2.534 4.062 -8.667 1.00 23.32 O ATOM 1490 CB ASN A 93 0.553 5.091 -7.976 1.00 24.44 C ATOM 1491 CG ASN A 93 1.901 4.399 -7.924 1.00 41.45 C ATOM 1492 OD1 ASN A 93 2.582 4.345 -9.063 1.00 25.12 O flip ATOM 1493 ND2 ASN A 93 2.325 3.918 -6.873 1.00 10.32 N flip ATOM 0 H ASN A 93 0.758 6.202 -10.199 1.00 4.42 H new ATOM 0 HA ASN A 93 -0.153 3.603 -9.357 1.00 15.24 H new ATOM 0 HB2 ASN A 93 0.703 6.171 -7.993 1.00 24.44 H new ATOM 0 HB3 ASN A 93 -0.005 4.861 -7.069 1.00 24.44 H new ATOM 0 HD21 ASN A 93 1.768 3.983 -6.021 1.00 10.32 H new ATOM 0 HD22 ASN A 93 3.234 3.455 -6.854 1.00 10.32 H new ATOM 1500 N LYS A 94 -2.120 6.238 -9.060 1.00 11.14 N ATOM 1501 CA LYS A 94 -3.503 6.653 -8.852 1.00 55.23 C ATOM 1502 C LYS A 94 -4.427 5.996 -9.873 1.00 31.31 C ATOM 1503 O LYS A 94 -5.503 5.511 -9.527 1.00 14.41 O ATOM 1504 CB LYS A 94 -3.620 8.175 -8.946 1.00 31.13 C ATOM 1505 CG LYS A 94 -5.023 8.694 -8.683 1.00 23.11 C ATOM 1506 CD LYS A 94 -5.079 10.211 -8.756 1.00 30.00 C ATOM 1507 CE LYS A 94 -6.468 10.701 -9.136 1.00 12.44 C ATOM 1508 NZ LYS A 94 -6.712 12.094 -8.669 1.00 45.52 N ATOM 0 H LYS A 94 -1.482 6.999 -9.292 1.00 11.14 H new ATOM 0 HA LYS A 94 -3.807 6.333 -7.855 1.00 55.23 H new ATOM 0 HB2 LYS A 94 -2.934 8.629 -8.231 1.00 31.13 H new ATOM 0 HB3 LYS A 94 -3.303 8.495 -9.939 1.00 31.13 H new ATOM 0 HG2 LYS A 94 -5.712 8.268 -9.412 1.00 23.11 H new ATOM 0 HG3 LYS A 94 -5.356 8.364 -7.699 1.00 23.11 H new ATOM 0 HD2 LYS A 94 -4.794 10.633 -7.792 1.00 30.00 H new ATOM 0 HD3 LYS A 94 -4.354 10.568 -9.487 1.00 30.00 H new ATOM 0 HE2 LYS A 94 -6.586 10.655 -10.219 1.00 12.44 H new ATOM 0 HE3 LYS A 94 -7.218 10.037 -8.705 1.00 12.44 H new ATOM 0 HZ1 LYS A 94 -7.669 12.391 -8.947 1.00 45.52 H new ATOM 0 HZ2 LYS A 94 -6.625 12.133 -7.633 1.00 45.52 H new ATOM 0 HZ3 LYS A 94 -6.013 12.732 -9.100 1.00 45.52 H new ATOM 1522 N GLU A 95 -3.997 5.985 -11.131 1.00 42.41 N ATOM 1523 CA GLU A 95 -4.787 5.387 -12.201 1.00 65.33 C ATOM 1524 C GLU A 95 -4.807 3.867 -12.079 1.00 10.23 C ATOM 1525 O GLU A 95 -5.827 3.226 -12.334 1.00 54.21 O ATOM 1526 CB GLU A 95 -4.228 5.793 -13.566 1.00 54.42 C ATOM 1527 CG GLU A 95 -4.420 7.265 -13.890 1.00 30.20 C ATOM 1528 CD GLU A 95 -5.335 7.486 -15.079 1.00 33.32 C ATOM 1529 OE1 GLU A 95 -4.846 7.410 -16.226 1.00 21.44 O ATOM 1530 OE2 GLU A 95 -6.539 7.734 -14.862 1.00 53.20 O ATOM 0 H GLU A 95 -3.108 6.383 -11.434 1.00 42.41 H new ATOM 0 HA GLU A 95 -5.809 5.754 -12.111 1.00 65.33 H new ATOM 0 HB2 GLU A 95 -3.164 5.559 -13.598 1.00 54.42 H new ATOM 0 HB3 GLU A 95 -4.709 5.194 -14.339 1.00 54.42 H new ATOM 0 HG2 GLU A 95 -4.833 7.774 -13.019 1.00 30.20 H new ATOM 0 HG3 GLU A 95 -3.450 7.718 -14.094 1.00 30.20 H new ATOM 1537 N TYR A 96 -3.673 3.296 -11.686 1.00 42.24 N ATOM 1538 CA TYR A 96 -3.558 1.851 -11.533 1.00 2.21 C ATOM 1539 C TYR A 96 -4.605 1.322 -10.556 1.00 62.23 C ATOM 1540 O TYR A 96 -5.276 0.326 -10.828 1.00 54.30 O ATOM 1541 CB TYR A 96 -2.157 1.479 -11.047 1.00 10.42 C ATOM 1542 CG TYR A 96 -1.995 0.008 -10.734 1.00 14.31 C ATOM 1543 CD1 TYR A 96 -2.333 -0.497 -9.485 1.00 10.53 C ATOM 1544 CD2 TYR A 96 -1.503 -0.876 -11.687 1.00 30.11 C ATOM 1545 CE1 TYR A 96 -2.187 -1.840 -9.194 1.00 51.13 C ATOM 1546 CE2 TYR A 96 -1.354 -2.220 -11.405 1.00 24.31 C ATOM 1547 CZ TYR A 96 -1.697 -2.697 -10.158 1.00 1.13 C ATOM 1548 OH TYR A 96 -1.550 -4.036 -9.873 1.00 71.35 O ATOM 0 H TYR A 96 -2.821 3.812 -11.468 1.00 42.24 H new ATOM 0 HA TYR A 96 -3.731 1.393 -12.507 1.00 2.21 H new ATOM 0 HB2 TYR A 96 -1.430 1.762 -11.809 1.00 10.42 H new ATOM 0 HB3 TYR A 96 -1.925 2.060 -10.154 1.00 10.42 H new ATOM 0 HD1 TYR A 96 -2.716 0.171 -8.728 1.00 10.53 H new ATOM 0 HD2 TYR A 96 -1.233 -0.506 -12.665 1.00 30.11 H new ATOM 0 HE1 TYR A 96 -2.455 -2.217 -8.218 1.00 51.13 H new ATOM 0 HE2 TYR A 96 -0.971 -2.893 -12.157 1.00 24.31 H new ATOM 0 HH TYR A 96 -1.195 -4.501 -10.659 1.00 71.35 H new ATOM 1558 N CYS A 97 -4.738 1.997 -9.420 1.00 73.10 N ATOM 1559 CA CYS A 97 -5.702 1.596 -8.402 1.00 31.43 C ATOM 1560 C CYS A 97 -7.131 1.808 -8.891 1.00 60.42 C ATOM 1561 O CYS A 97 -8.030 1.034 -8.566 1.00 43.11 O ATOM 1562 CB CYS A 97 -5.470 2.385 -7.111 1.00 41.14 C ATOM 1563 SG CYS A 97 -3.821 2.171 -6.402 1.00 51.10 S ATOM 0 H CYS A 97 -4.191 2.824 -9.181 1.00 73.10 H new ATOM 0 HA CYS A 97 -5.560 0.534 -8.202 1.00 31.43 H new ATOM 0 HB2 CYS A 97 -5.633 3.444 -7.311 1.00 41.14 H new ATOM 0 HB3 CYS A 97 -6.213 2.081 -6.374 1.00 41.14 H new ATOM 0 HG CYS A 97 -2.956 2.841 -7.105 1.00 51.10 H new ATOM 1569 N SER A 98 -7.331 2.863 -9.674 1.00 24.31 N ATOM 1570 CA SER A 98 -8.652 3.181 -10.205 1.00 41.45 C ATOM 1571 C SER A 98 -8.988 2.288 -11.395 1.00 50.23 C ATOM 1572 O SER A 98 -10.135 2.232 -11.842 1.00 31.34 O ATOM 1573 CB SER A 98 -8.717 4.652 -10.622 1.00 53.41 C ATOM 1574 OG SER A 98 -10.049 5.043 -10.906 1.00 12.45 O ATOM 0 H SER A 98 -6.596 3.512 -9.955 1.00 24.31 H new ATOM 0 HA SER A 98 -9.386 3.001 -9.419 1.00 41.45 H new ATOM 0 HB2 SER A 98 -8.313 5.277 -9.826 1.00 53.41 H new ATOM 0 HB3 SER A 98 -8.092 4.812 -11.501 1.00 53.41 H new ATOM 0 HG SER A 98 -10.516 4.310 -11.359 1.00 12.45 H new ATOM 1580 N LYS A 99 -7.980 1.590 -11.907 1.00 51.20 N ATOM 1581 CA LYS A 99 -8.166 0.697 -13.045 1.00 34.23 C ATOM 1582 C LYS A 99 -9.223 -0.360 -12.741 1.00 20.23 C ATOM 1583 O LYS A 99 -9.817 -0.935 -13.651 1.00 42.31 O ATOM 1584 CB LYS A 99 -6.843 0.020 -13.410 1.00 21.21 C ATOM 1585 CG LYS A 99 -6.946 -0.913 -14.604 1.00 64.01 C ATOM 1586 CD LYS A 99 -5.635 -1.635 -14.863 1.00 31.12 C ATOM 1587 CE LYS A 99 -5.252 -2.530 -13.694 1.00 50.33 C ATOM 1588 NZ LYS A 99 -4.480 -3.723 -14.139 1.00 13.22 N ATOM 0 H LYS A 99 -7.025 1.626 -11.551 1.00 51.20 H new ATOM 0 HA LYS A 99 -8.507 1.294 -13.891 1.00 34.23 H new ATOM 0 HB2 LYS A 99 -6.098 0.787 -13.622 1.00 21.21 H new ATOM 0 HB3 LYS A 99 -6.483 -0.544 -12.549 1.00 21.21 H new ATOM 0 HG2 LYS A 99 -7.736 -1.643 -14.429 1.00 64.01 H new ATOM 0 HG3 LYS A 99 -7.229 -0.343 -15.489 1.00 64.01 H new ATOM 0 HD2 LYS A 99 -5.721 -2.235 -15.769 1.00 31.12 H new ATOM 0 HD3 LYS A 99 -4.845 -0.905 -15.038 1.00 31.12 H new ATOM 0 HE2 LYS A 99 -4.659 -1.960 -12.979 1.00 50.33 H new ATOM 0 HE3 LYS A 99 -6.154 -2.854 -13.174 1.00 50.33 H new ATOM 0 HZ1 LYS A 99 -4.238 -4.308 -13.314 1.00 13.22 H new ATOM 0 HZ2 LYS A 99 -5.055 -4.281 -14.802 1.00 13.22 H new ATOM 0 HZ3 LYS A 99 -3.607 -3.415 -14.613 1.00 13.22 H new ATOM 1602 N GLU A 100 -9.452 -0.608 -11.455 1.00 12.13 N ATOM 1603 CA GLU A 100 -10.439 -1.595 -11.032 1.00 20.12 C ATOM 1604 C GLU A 100 -11.857 -1.082 -11.268 1.00 34.03 C ATOM 1605 O GLU A 100 -12.812 -1.857 -11.298 1.00 41.33 O ATOM 1606 CB GLU A 100 -10.248 -1.938 -9.553 1.00 54.31 C ATOM 1607 CG GLU A 100 -8.839 -2.393 -9.211 1.00 63.32 C ATOM 1608 CD GLU A 100 -8.535 -2.284 -7.729 1.00 70.43 C ATOM 1609 OE1 GLU A 100 -9.312 -2.832 -6.922 1.00 13.54 O ATOM 1610 OE2 GLU A 100 -7.518 -1.649 -7.378 1.00 61.02 O ATOM 0 H GLU A 100 -8.968 -0.140 -10.689 1.00 12.13 H new ATOM 0 HA GLU A 100 -10.293 -2.496 -11.628 1.00 20.12 H new ATOM 0 HB2 GLU A 100 -10.495 -1.063 -8.951 1.00 54.31 H new ATOM 0 HB3 GLU A 100 -10.952 -2.723 -9.277 1.00 54.31 H new ATOM 0 HG2 GLU A 100 -8.707 -3.427 -9.530 1.00 63.32 H new ATOM 0 HG3 GLU A 100 -8.121 -1.793 -9.771 1.00 63.32 H new ATOM 1617 N GLY A 101 -11.985 0.231 -11.432 1.00 2.02 N ATOM 1618 CA GLY A 101 -13.289 0.825 -11.661 1.00 22.11 C ATOM 1619 C GLY A 101 -14.056 1.057 -10.373 1.00 42.43 C ATOM 1620 O GLY A 101 -15.151 1.616 -10.388 1.00 12.22 O ATOM 0 H GLY A 101 -11.210 0.893 -11.410 1.00 2.02 H new ATOM 0 HA2 GLY A 101 -13.166 1.774 -12.183 1.00 22.11 H new ATOM 0 HA3 GLY A 101 -13.871 0.175 -12.315 1.00 22.11 H new ATOM 1624 N ASN A 102 -13.479 0.624 -9.257 1.00 43.20 N ATOM 1625 CA ASN A 102 -14.116 0.785 -7.956 1.00 10.10 C ATOM 1626 C ASN A 102 -13.120 1.307 -6.923 1.00 4.51 C ATOM 1627 O ASN A 102 -12.069 0.705 -6.700 1.00 50.12 O ATOM 1628 CB ASN A 102 -14.705 -0.546 -7.484 1.00 64.32 C ATOM 1629 CG ASN A 102 -16.164 -0.425 -7.090 1.00 23.24 C ATOM 1630 OD1 ASN A 102 -16.972 0.150 -7.820 1.00 43.44 O ATOM 1631 ND2 ASN A 102 -16.509 -0.966 -5.927 1.00 24.40 N ATOM 0 H ASN A 102 -12.572 0.159 -9.228 1.00 43.20 H new ATOM 0 HA ASN A 102 -14.920 1.514 -8.061 1.00 10.10 H new ATOM 0 HB2 ASN A 102 -14.606 -1.286 -8.278 1.00 64.32 H new ATOM 0 HB3 ASN A 102 -14.131 -0.913 -6.633 1.00 64.32 H new ATOM 0 HD21 ASN A 102 -17.476 -0.914 -5.607 1.00 24.40 H new ATOM 0 HD22 ASN A 102 -15.807 -1.433 -5.354 1.00 24.40 H new ATOM 1638 N LEU A 103 -13.459 2.428 -6.297 1.00 62.24 N ATOM 1639 CA LEU A 103 -12.596 3.031 -5.288 1.00 24.11 C ATOM 1640 C LEU A 103 -13.060 2.661 -3.883 1.00 12.22 C ATOM 1641 O LEU A 103 -14.241 2.782 -3.555 1.00 43.43 O ATOM 1642 CB LEU A 103 -12.578 4.552 -5.446 1.00 62.42 C ATOM 1643 CG LEU A 103 -11.234 5.171 -5.833 1.00 23.13 C ATOM 1644 CD1 LEU A 103 -10.259 5.100 -4.668 1.00 1.11 C ATOM 1645 CD2 LEU A 103 -10.658 4.475 -7.057 1.00 3.12 C ATOM 0 H LEU A 103 -14.325 2.938 -6.470 1.00 62.24 H new ATOM 0 HA LEU A 103 -11.587 2.645 -5.432 1.00 24.11 H new ATOM 0 HB2 LEU A 103 -13.313 4.827 -6.202 1.00 62.42 H new ATOM 0 HB3 LEU A 103 -12.904 4.999 -4.507 1.00 62.42 H new ATOM 0 HG LEU A 103 -11.397 6.220 -6.081 1.00 23.13 H new ATOM 0 HD11 LEU A 103 -9.308 5.545 -4.962 1.00 1.11 H new ATOM 0 HD12 LEU A 103 -10.668 5.646 -3.818 1.00 1.11 H new ATOM 0 HD13 LEU A 103 -10.101 4.058 -4.389 1.00 1.11 H new ATOM 0 HD21 LEU A 103 -9.702 4.929 -7.317 1.00 3.12 H new ATOM 0 HD22 LEU A 103 -10.510 3.417 -6.838 1.00 3.12 H new ATOM 0 HD23 LEU A 103 -11.349 4.579 -7.894 1.00 3.12 H new ATOM 1657 N LEU A 104 -12.123 2.210 -3.056 1.00 51.03 N ATOM 1658 CA LEU A 104 -12.435 1.823 -1.685 1.00 35.13 C ATOM 1659 C LEU A 104 -12.069 2.937 -0.709 1.00 14.12 C ATOM 1660 O LEU A 104 -12.668 3.061 0.360 1.00 74.13 O ATOM 1661 CB LEU A 104 -11.691 0.539 -1.314 1.00 32.11 C ATOM 1662 CG LEU A 104 -12.154 -0.160 -0.035 1.00 70.33 C ATOM 1663 CD1 LEU A 104 -13.615 -0.568 -0.150 1.00 72.33 C ATOM 1664 CD2 LEU A 104 -11.281 -1.372 0.257 1.00 65.43 C ATOM 0 H LEU A 104 -11.141 2.103 -3.311 1.00 51.03 H new ATOM 0 HA LEU A 104 -13.508 1.645 -1.619 1.00 35.13 H new ATOM 0 HB2 LEU A 104 -11.785 -0.163 -2.142 1.00 32.11 H new ATOM 0 HB3 LEU A 104 -10.631 0.773 -1.213 1.00 32.11 H new ATOM 0 HG LEU A 104 -12.057 0.540 0.795 1.00 70.33 H new ATOM 0 HD11 LEU A 104 -13.928 -1.064 0.769 1.00 72.33 H new ATOM 0 HD12 LEU A 104 -14.229 0.318 -0.311 1.00 72.33 H new ATOM 0 HD13 LEU A 104 -13.737 -1.251 -0.991 1.00 72.33 H new ATOM 0 HD21 LEU A 104 -11.625 -1.857 1.171 1.00 65.43 H new ATOM 0 HD22 LEU A 104 -11.345 -2.075 -0.573 1.00 65.43 H new ATOM 0 HD23 LEU A 104 -10.246 -1.053 0.383 1.00 65.43 H new ATOM 1676 N MET A 105 -11.083 3.746 -1.084 1.00 4.43 N ATOM 1677 CA MET A 105 -10.641 4.852 -0.243 1.00 13.21 C ATOM 1678 C MET A 105 -9.870 5.883 -1.061 1.00 3.13 C ATOM 1679 O MET A 105 -9.036 5.529 -1.893 1.00 64.31 O ATOM 1680 CB MET A 105 -9.765 4.332 0.900 1.00 44.04 C ATOM 1681 CG MET A 105 -8.882 5.401 1.523 1.00 22.21 C ATOM 1682 SD MET A 105 -8.700 5.199 3.306 1.00 23.21 S ATOM 1683 CE MET A 105 -7.107 4.386 3.394 1.00 62.44 C ATOM 0 H MET A 105 -10.575 3.656 -1.964 1.00 4.43 H new ATOM 0 HA MET A 105 -11.525 5.334 0.175 1.00 13.21 H new ATOM 0 HB2 MET A 105 -10.405 3.905 1.672 1.00 44.04 H new ATOM 0 HB3 MET A 105 -9.135 3.525 0.526 1.00 44.04 H new ATOM 0 HG2 MET A 105 -7.898 5.372 1.056 1.00 22.21 H new ATOM 0 HG3 MET A 105 -9.305 6.384 1.314 1.00 22.21 H new ATOM 0 HE1 MET A 105 -6.707 4.478 4.404 1.00 62.44 H new ATOM 0 HE2 MET A 105 -7.222 3.331 3.144 1.00 62.44 H new ATOM 0 HE3 MET A 105 -6.420 4.853 2.688 1.00 62.44 H new ATOM 1693 N GLU A 106 -10.155 7.158 -0.817 1.00 44.40 N ATOM 1694 CA GLU A 106 -9.490 8.240 -1.534 1.00 53.35 C ATOM 1695 C GLU A 106 -9.028 9.328 -0.569 1.00 32.11 C ATOM 1696 O GLU A 106 -9.837 10.101 -0.056 1.00 5.43 O ATOM 1697 CB GLU A 106 -10.427 8.838 -2.585 1.00 31.22 C ATOM 1698 CG GLU A 106 -9.703 9.401 -3.796 1.00 43.42 C ATOM 1699 CD GLU A 106 -10.408 10.605 -4.390 1.00 12.22 C ATOM 1700 OE1 GLU A 106 -11.338 10.409 -5.200 1.00 23.35 O ATOM 1701 OE2 GLU A 106 -10.028 11.744 -4.044 1.00 43.50 O ATOM 0 H GLU A 106 -10.841 7.467 -0.129 1.00 44.40 H new ATOM 0 HA GLU A 106 -8.614 7.826 -2.034 1.00 53.35 H new ATOM 0 HB2 GLU A 106 -11.126 8.070 -2.915 1.00 31.22 H new ATOM 0 HB3 GLU A 106 -11.017 9.630 -2.125 1.00 31.22 H new ATOM 0 HG2 GLU A 106 -8.690 9.683 -3.510 1.00 43.42 H new ATOM 0 HG3 GLU A 106 -9.616 8.624 -4.556 1.00 43.42 H new ATOM 1708 N CYS A 107 -7.723 9.381 -0.327 1.00 41.43 N ATOM 1709 CA CYS A 107 -7.152 10.373 0.576 1.00 33.21 C ATOM 1710 C CYS A 107 -5.707 10.685 0.199 1.00 13.15 C ATOM 1711 O CYS A 107 -5.154 10.091 -0.725 1.00 14.12 O ATOM 1712 CB CYS A 107 -7.219 9.874 2.022 1.00 64.43 C ATOM 1713 SG CYS A 107 -8.785 10.231 2.853 1.00 53.42 S ATOM 0 H CYS A 107 -7.040 8.748 -0.744 1.00 41.43 H new ATOM 0 HA CYS A 107 -7.736 11.289 0.487 1.00 33.21 H new ATOM 0 HB2 CYS A 107 -7.052 8.797 2.032 1.00 64.43 H new ATOM 0 HB3 CYS A 107 -6.407 10.328 2.590 1.00 64.43 H new ATOM 0 HG CYS A 107 -9.741 10.282 1.974 1.00 53.42 H new ATOM 1719 N GLY A 108 -5.103 11.624 0.921 1.00 51.32 N ATOM 1720 CA GLY A 108 -3.728 12.000 0.646 1.00 4.24 C ATOM 1721 C GLY A 108 -3.596 12.836 -0.611 1.00 3.02 C ATOM 1722 O GLY A 108 -4.593 13.159 -1.257 1.00 43.31 O ATOM 0 H GLY A 108 -5.541 12.131 1.691 1.00 51.32 H new ATOM 0 HA2 GLY A 108 -3.331 12.559 1.494 1.00 4.24 H new ATOM 0 HA3 GLY A 108 -3.122 11.100 0.545 1.00 4.24 H new