USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=16 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 : amide:sc= -3.68 K(o=-3.7,f=-13!) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 14 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.69) USER MOD Single : A 20 THR OG1 : rot 47:sc= 0.0541 USER MOD Single : A 22 ASN : amide:sc= -0.43 K(o=-0.43,f=-1.6) USER MOD Single : A 23 ASN : amide:sc= -0.104 K(o=-0.1,f=-2!) 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+ -156:sc= 0.726 (180deg=0.291) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -13:sc= -1.05 USER MOD Single : A 57 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-1) USER MOD Single : A 63 ASN : amide:sc= -2.07 K(o=-2.1,f=-5.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= -0.176 (180deg=-0.287) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot 160:sc= -1.57 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 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.73 X(o=-2.7,f=-2.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 74:sc= -0.638 USER MOD Single : A 98 SER OG : rot -38:sc= 0.0281 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.5) USER MOD Single : A 105 MET CE :methyl 155:sc= -0.875 (180deg=-2.25) USER MOD Single : A 107 CYS SG : rot 27:sc= 0.41 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.499 -3.792 0.166 1.00 62.42 N ATOM 148 CA GLN A 12 15.558 -2.723 1.155 1.00 43.32 C ATOM 149 C GLN A 12 14.197 -2.053 1.314 1.00 23.03 C ATOM 150 O GLN A 12 13.324 -2.154 0.453 1.00 52.14 O ATOM 151 CB GLN A 12 16.607 -1.684 0.752 1.00 72.31 C ATOM 152 CG GLN A 12 17.911 -1.805 1.524 1.00 73.21 C ATOM 153 CD GLN A 12 19.098 -1.261 0.754 1.00 55.52 C ATOM 154 OE1 GLN A 12 18.984 -0.264 0.039 1.00 61.41 O ATOM 155 NE2 GLN A 12 20.246 -1.913 0.896 1.00 55.40 N ATOM 0 HA GLN A 12 15.841 -3.162 2.112 1.00 43.32 H new ATOM 0 HB2 GLN A 12 16.815 -1.784 -0.313 1.00 72.31 H new ATOM 0 HB3 GLN A 12 16.195 -0.686 0.904 1.00 72.31 H new ATOM 0 HG2 GLN A 12 17.820 -1.270 2.469 1.00 73.21 H new ATOM 0 HG3 GLN A 12 18.089 -2.853 1.766 1.00 73.21 H new ATOM 0 HE21 GLN A 12 20.295 -2.734 1.499 1.00 55.40 H new ATOM 0 HE22 GLN A 12 21.079 -1.592 0.402 1.00 55.40 H new ATOM 164 N PRO A 13 14.011 -1.353 2.443 1.00 54.41 N ATOM 165 CA PRO A 13 12.758 -0.652 2.742 1.00 71.32 C ATOM 166 C PRO A 13 12.540 0.557 1.839 1.00 2.21 C ATOM 167 O PRO A 13 13.494 1.226 1.439 1.00 70.40 O ATOM 168 CB PRO A 13 12.938 -0.209 4.196 1.00 53.12 C ATOM 169 CG PRO A 13 14.413 -0.118 4.385 1.00 73.34 C ATOM 170 CD PRO A 13 15.008 -1.190 3.514 1.00 42.33 C ATOM 0 HA PRO A 13 11.887 -1.287 2.580 1.00 71.32 H new ATOM 0 HB2 PRO A 13 12.455 0.751 4.380 1.00 53.12 H new ATOM 0 HB3 PRO A 13 12.494 -0.926 4.886 1.00 53.12 H new ATOM 0 HG2 PRO A 13 14.783 0.867 4.100 1.00 73.34 H new ATOM 0 HG3 PRO A 13 14.683 -0.270 5.430 1.00 73.34 H new ATOM 0 HD2 PRO A 13 15.979 -0.892 3.117 1.00 42.33 H new ATOM 0 HD3 PRO A 13 15.160 -2.118 4.066 1.00 42.33 H new ATOM 178 N HIS A 14 11.279 0.834 1.522 1.00 63.22 N ATOM 179 CA HIS A 14 10.937 1.965 0.666 1.00 34.55 C ATOM 180 C HIS A 14 9.738 2.725 1.226 1.00 41.12 C ATOM 181 O HIS A 14 9.170 2.344 2.249 1.00 33.22 O ATOM 182 CB HIS A 14 10.633 1.484 -0.753 1.00 23.11 C ATOM 183 CG HIS A 14 11.806 0.848 -1.433 1.00 60.43 C ATOM 184 ND1 HIS A 14 12.006 -0.516 -1.471 1.00 35.35 N ATOM 185 CD2 HIS A 14 12.844 1.397 -2.107 1.00 32.41 C ATOM 186 CE1 HIS A 14 13.116 -0.779 -2.136 1.00 41.41 C ATOM 187 NE2 HIS A 14 13.644 0.365 -2.533 1.00 52.24 N ATOM 0 H HIS A 14 10.478 0.291 1.845 1.00 63.22 H new ATOM 0 HA HIS A 14 11.792 2.640 0.637 1.00 34.55 H new ATOM 0 HB2 HIS A 14 9.812 0.768 -0.717 1.00 23.11 H new ATOM 0 HB3 HIS A 14 10.292 2.330 -1.350 1.00 23.11 H new ATOM 0 HD2 HIS A 14 13.012 2.450 -2.278 1.00 32.41 H new ATOM 0 HE1 HIS A 14 13.523 -1.762 -2.323 1.00 41.41 H new ATOM 0 HE2 HIS A 14 14.506 0.466 -3.069 1.00 52.24 H new ATOM 195 N LYS A 15 9.359 3.803 0.548 1.00 1.31 N ATOM 196 CA LYS A 15 8.228 4.618 0.976 1.00 41.12 C ATOM 197 C LYS A 15 6.994 4.322 0.130 1.00 13.41 C ATOM 198 O LYS A 15 6.024 5.080 0.144 1.00 12.54 O ATOM 199 CB LYS A 15 8.580 6.105 0.882 1.00 74.41 C ATOM 200 CG LYS A 15 9.164 6.508 -0.461 1.00 30.31 C ATOM 201 CD LYS A 15 10.597 6.993 -0.322 1.00 41.42 C ATOM 202 CE LYS A 15 11.593 5.890 -0.644 1.00 61.12 C ATOM 203 NZ LYS A 15 12.963 6.428 -0.871 1.00 51.14 N ATOM 0 H LYS A 15 9.819 4.133 -0.301 1.00 1.31 H new ATOM 0 HA LYS A 15 8.004 4.369 2.013 1.00 41.12 H new ATOM 0 HB2 LYS A 15 7.683 6.695 1.070 1.00 74.41 H new ATOM 0 HB3 LYS A 15 9.294 6.351 1.668 1.00 74.41 H new ATOM 0 HG2 LYS A 15 9.131 5.658 -1.143 1.00 30.31 H new ATOM 0 HG3 LYS A 15 8.553 7.295 -0.903 1.00 30.31 H new ATOM 0 HD2 LYS A 15 10.762 7.839 -0.989 1.00 41.42 H new ATOM 0 HD3 LYS A 15 10.764 7.350 0.694 1.00 41.42 H new ATOM 0 HE2 LYS A 15 11.616 5.171 0.175 1.00 61.12 H new ATOM 0 HE3 LYS A 15 11.263 5.351 -1.532 1.00 61.12 H new ATOM 0 HZ1 LYS A 15 13.634 5.639 -0.970 1.00 51.14 H new ATOM 0 HZ2 LYS A 15 12.972 7.001 -1.739 1.00 51.14 H new ATOM 0 HZ3 LYS A 15 13.242 7.020 -0.063 1.00 51.14 H new ATOM 217 N ARG A 16 7.036 3.216 -0.604 1.00 65.44 N ATOM 218 CA ARG A 16 5.921 2.820 -1.456 1.00 1.11 C ATOM 219 C ARG A 16 5.654 1.322 -1.342 1.00 4.04 C ATOM 220 O ARG A 16 6.561 0.506 -1.505 1.00 5.00 O ATOM 221 CB ARG A 16 6.208 3.188 -2.913 1.00 3.23 C ATOM 222 CG ARG A 16 6.521 4.661 -3.118 1.00 51.34 C ATOM 223 CD ARG A 16 7.251 4.898 -4.431 1.00 25.21 C ATOM 224 NE ARG A 16 8.533 4.199 -4.477 1.00 42.44 N ATOM 225 CZ ARG A 16 9.398 4.317 -5.478 1.00 45.25 C ATOM 226 NH1 ARG A 16 9.121 5.102 -6.510 1.00 53.22 N ATOM 227 NH2 ARG A 16 10.545 3.649 -5.448 1.00 54.34 N ATOM 0 H ARG A 16 7.831 2.577 -0.626 1.00 65.44 H new ATOM 0 HA ARG A 16 5.033 3.356 -1.121 1.00 1.11 H new ATOM 0 HB2 ARG A 16 7.049 2.593 -3.270 1.00 3.23 H new ATOM 0 HB3 ARG A 16 5.346 2.920 -3.523 1.00 3.23 H new ATOM 0 HG2 ARG A 16 5.595 5.236 -3.106 1.00 51.34 H new ATOM 0 HG3 ARG A 16 7.131 5.023 -2.291 1.00 51.34 H new ATOM 0 HD2 ARG A 16 6.626 4.564 -5.259 1.00 25.21 H new ATOM 0 HD3 ARG A 16 7.416 5.967 -4.567 1.00 25.21 H new ATOM 0 HE ARG A 16 8.777 3.587 -3.698 1.00 42.44 H new ATOM 0 HH11 ARG A 16 8.241 5.618 -6.537 1.00 53.22 H new ATOM 0 HH12 ARG A 16 9.788 5.190 -7.277 1.00 53.22 H new ATOM 0 HH21 ARG A 16 10.763 3.045 -4.656 1.00 54.34 H new ATOM 0 HH22 ARG A 16 11.209 3.740 -6.217 1.00 54.34 H new ATOM 241 N TRP A 17 4.406 0.969 -1.060 1.00 34.21 N ATOM 242 CA TRP A 17 4.020 -0.431 -0.923 1.00 71.22 C ATOM 243 C TRP A 17 2.558 -0.633 -1.308 1.00 65.21 C ATOM 244 O TRP A 17 1.689 0.145 -0.915 1.00 5.11 O ATOM 245 CB TRP A 17 4.253 -0.908 0.511 1.00 11.03 C ATOM 246 CG TRP A 17 5.700 -1.114 0.841 1.00 4.42 C ATOM 247 CD1 TRP A 17 6.539 -0.219 1.443 1.00 60.23 C ATOM 248 CD2 TRP A 17 6.479 -2.288 0.586 1.00 41.42 C ATOM 249 NE1 TRP A 17 7.792 -0.767 1.577 1.00 43.54 N ATOM 250 CE2 TRP A 17 7.781 -2.035 1.060 1.00 44.15 C ATOM 251 CE3 TRP A 17 6.203 -3.528 0.005 1.00 34.32 C ATOM 252 CZ2 TRP A 17 8.802 -2.977 0.968 1.00 23.21 C ATOM 253 CZ3 TRP A 17 7.217 -4.462 -0.085 1.00 60.31 C ATOM 254 CH2 TRP A 17 8.504 -4.183 0.395 1.00 74.41 C ATOM 0 H TRP A 17 3.644 1.632 -0.922 1.00 34.21 H new ATOM 0 HA TRP A 17 4.639 -1.020 -1.599 1.00 71.22 H new ATOM 0 HB2 TRP A 17 3.831 -0.179 1.202 1.00 11.03 H new ATOM 0 HB3 TRP A 17 3.716 -1.843 0.667 1.00 11.03 H new ATOM 0 HD1 TRP A 17 6.259 0.773 1.766 1.00 60.23 H new ATOM 0 HE1 TRP A 17 8.600 -0.304 1.994 1.00 43.54 H new ATOM 0 HE3 TRP A 17 5.214 -3.753 -0.367 1.00 34.32 H new ATOM 0 HZ2 TRP A 17 9.795 -2.763 1.336 1.00 23.21 H new ATOM 0 HZ3 TRP A 17 7.015 -5.424 -0.533 1.00 60.31 H new ATOM 0 HH2 TRP A 17 9.275 -4.934 0.311 1.00 74.41 H new ATOM 265 N VAL A 18 2.294 -1.683 -2.079 1.00 74.22 N ATOM 266 CA VAL A 18 0.936 -1.988 -2.516 1.00 4.10 C ATOM 267 C VAL A 18 0.400 -3.231 -1.815 1.00 54.21 C ATOM 268 O VAL A 18 1.154 -4.148 -1.491 1.00 33.51 O ATOM 269 CB VAL A 18 0.872 -2.203 -4.040 1.00 22.23 C ATOM 270 CG1 VAL A 18 1.240 -0.924 -4.776 1.00 11.11 C ATOM 271 CG2 VAL A 18 1.784 -3.348 -4.455 1.00 4.35 C ATOM 0 H VAL A 18 3.002 -2.337 -2.414 1.00 74.22 H new ATOM 0 HA VAL A 18 0.318 -1.130 -2.252 1.00 4.10 H new ATOM 0 HB VAL A 18 -0.151 -2.467 -4.309 1.00 22.23 H new ATOM 0 HG11 VAL A 18 1.189 -1.095 -5.851 1.00 11.11 H new ATOM 0 HG12 VAL A 18 0.543 -0.133 -4.501 1.00 11.11 H new ATOM 0 HG13 VAL A 18 2.252 -0.626 -4.504 1.00 11.11 H new ATOM 0 HG21 VAL A 18 1.726 -3.486 -5.535 1.00 4.35 H new ATOM 0 HG22 VAL A 18 2.811 -3.116 -4.173 1.00 4.35 H new ATOM 0 HG23 VAL A 18 1.469 -4.264 -3.955 1.00 4.35 H new ATOM 281 N PHE A 19 -0.909 -3.254 -1.584 1.00 61.41 N ATOM 282 CA PHE A 19 -1.548 -4.385 -0.921 1.00 1.03 C ATOM 283 C PHE A 19 -2.626 -4.999 -1.809 1.00 40.53 C ATOM 284 O PHE A 19 -3.330 -4.291 -2.531 1.00 11.14 O ATOM 285 CB PHE A 19 -2.159 -3.944 0.411 1.00 42.52 C ATOM 286 CG PHE A 19 -2.964 -2.680 0.311 1.00 15.20 C ATOM 287 CD1 PHE A 19 -2.342 -1.442 0.327 1.00 64.34 C ATOM 288 CD2 PHE A 19 -4.345 -2.730 0.202 1.00 1.52 C ATOM 289 CE1 PHE A 19 -3.080 -0.277 0.235 1.00 70.54 C ATOM 290 CE2 PHE A 19 -5.088 -1.568 0.109 1.00 34.24 C ATOM 291 CZ PHE A 19 -4.455 -0.341 0.127 1.00 54.31 C ATOM 0 H PHE A 19 -1.547 -2.503 -1.846 1.00 61.41 H new ATOM 0 HA PHE A 19 -0.785 -5.140 -0.731 1.00 1.03 H new ATOM 0 HB2 PHE A 19 -2.796 -4.742 0.791 1.00 42.52 H new ATOM 0 HB3 PHE A 19 -1.360 -3.800 1.138 1.00 42.52 H new ATOM 0 HD1 PHE A 19 -1.267 -1.387 0.412 1.00 64.34 H new ATOM 0 HD2 PHE A 19 -4.846 -3.687 0.190 1.00 1.52 H new ATOM 0 HE1 PHE A 19 -2.582 0.681 0.248 1.00 70.54 H new ATOM 0 HE2 PHE A 19 -6.163 -1.620 0.022 1.00 34.24 H new ATOM 0 HZ PHE A 19 -5.035 0.568 0.057 1.00 54.31 H new ATOM 301 N THR A 20 -2.749 -6.321 -1.753 1.00 34.14 N ATOM 302 CA THR A 20 -3.739 -7.031 -2.552 1.00 73.33 C ATOM 303 C THR A 20 -4.213 -8.296 -1.845 1.00 63.01 C ATOM 304 O THR A 20 -3.404 -9.123 -1.421 1.00 44.52 O ATOM 305 CB THR A 20 -3.177 -7.410 -3.936 1.00 32.15 C ATOM 306 OG1 THR A 20 -1.916 -8.071 -3.787 1.00 63.24 O ATOM 307 CG2 THR A 20 -3.009 -6.175 -4.808 1.00 21.21 C ATOM 0 H THR A 20 -2.175 -6.922 -1.162 1.00 34.14 H new ATOM 0 HA THR A 20 -4.583 -6.354 -2.683 1.00 73.33 H new ATOM 0 HB THR A 20 -3.885 -8.083 -4.420 1.00 32.15 H new ATOM 0 HG1 THR A 20 -1.985 -8.753 -3.087 1.00 63.24 H new ATOM 0 HG21 THR A 20 -2.611 -6.467 -5.780 1.00 21.21 H new ATOM 0 HG22 THR A 20 -3.976 -5.690 -4.943 1.00 21.21 H new ATOM 0 HG23 THR A 20 -2.319 -5.481 -4.327 1.00 21.21 H new ATOM 315 N LEU A 21 -5.527 -8.442 -1.721 1.00 72.12 N ATOM 316 CA LEU A 21 -6.109 -9.608 -1.065 1.00 70.03 C ATOM 317 C LEU A 21 -7.360 -10.079 -1.801 1.00 2.24 C ATOM 318 O LEU A 21 -8.199 -9.272 -2.198 1.00 45.43 O ATOM 319 CB LEU A 21 -6.451 -9.282 0.389 1.00 13.44 C ATOM 320 CG LEU A 21 -7.013 -10.435 1.222 1.00 53.43 C ATOM 321 CD1 LEU A 21 -5.985 -10.911 2.236 1.00 35.22 C ATOM 322 CD2 LEU A 21 -8.298 -10.012 1.920 1.00 61.15 C ATOM 0 H LEU A 21 -6.210 -7.768 -2.066 1.00 72.12 H new ATOM 0 HA LEU A 21 -5.373 -10.412 -1.087 1.00 70.03 H new ATOM 0 HB2 LEU A 21 -5.550 -8.912 0.879 1.00 13.44 H new ATOM 0 HB3 LEU A 21 -7.176 -8.468 0.397 1.00 13.44 H new ATOM 0 HG LEU A 21 -7.243 -11.264 0.552 1.00 53.43 H new ATOM 0 HD11 LEU A 21 -6.402 -11.732 2.820 1.00 35.22 H new ATOM 0 HD12 LEU A 21 -5.092 -11.254 1.715 1.00 35.22 H new ATOM 0 HD13 LEU A 21 -5.723 -10.089 2.902 1.00 35.22 H new ATOM 0 HD21 LEU A 21 -8.684 -10.845 2.508 1.00 61.15 H new ATOM 0 HD22 LEU A 21 -8.094 -9.167 2.578 1.00 61.15 H new ATOM 0 HD23 LEU A 21 -9.038 -9.721 1.175 1.00 61.15 H new ATOM 334 N ASN A 22 -7.478 -11.391 -1.976 1.00 14.04 N ATOM 335 CA ASN A 22 -8.628 -11.970 -2.662 1.00 1.24 C ATOM 336 C ASN A 22 -9.814 -12.110 -1.712 1.00 50.23 C ATOM 337 O ASN A 22 -9.662 -12.552 -0.575 1.00 34.24 O ATOM 338 CB ASN A 22 -8.264 -13.336 -3.246 1.00 73.14 C ATOM 339 CG ASN A 22 -8.187 -14.417 -2.186 1.00 4.14 C ATOM 340 OD1 ASN A 22 -9.209 -14.913 -1.713 1.00 13.01 O ATOM 341 ND2 ASN A 22 -6.969 -14.787 -1.806 1.00 41.22 N ATOM 0 H ASN A 22 -6.792 -12.073 -1.653 1.00 14.04 H new ATOM 0 HA ASN A 22 -8.912 -11.299 -3.473 1.00 1.24 H new ATOM 0 HB2 ASN A 22 -9.005 -13.617 -3.994 1.00 73.14 H new ATOM 0 HB3 ASN A 22 -7.305 -13.265 -3.759 1.00 73.14 H new ATOM 0 HD21 ASN A 22 -6.854 -15.509 -1.095 1.00 41.22 H new ATOM 0 HD22 ASN A 22 -6.149 -14.349 -2.225 1.00 41.22 H new ATOM 348 N ASN A 23 -10.995 -11.730 -2.190 1.00 1.25 N ATOM 349 CA ASN A 23 -12.208 -11.813 -1.384 1.00 4.14 C ATOM 350 C ASN A 23 -12.009 -11.135 -0.031 1.00 74.22 C ATOM 351 O ASN A 23 -11.993 -11.780 1.018 1.00 43.14 O ATOM 352 CB ASN A 23 -12.610 -13.275 -1.180 1.00 13.10 C ATOM 353 CG ASN A 23 -13.089 -13.927 -2.463 1.00 3.11 C ATOM 354 OD1 ASN A 23 -12.516 -13.713 -3.532 1.00 34.33 O ATOM 355 ND2 ASN A 23 -14.144 -14.727 -2.362 1.00 42.10 N ATOM 0 H ASN A 23 -11.138 -11.362 -3.131 1.00 1.25 H new ATOM 0 HA ASN A 23 -13.005 -11.295 -1.917 1.00 4.14 H new ATOM 0 HB2 ASN A 23 -11.759 -13.832 -0.788 1.00 13.10 H new ATOM 0 HB3 ASN A 23 -13.399 -13.331 -0.430 1.00 13.10 H new ATOM 0 HD21 ASN A 23 -14.511 -15.194 -3.191 1.00 42.10 H new ATOM 0 HD22 ASN A 23 -14.587 -14.875 -1.455 1.00 42.10 H new ATOM 362 N PRO A 24 -11.856 -9.803 -0.054 1.00 12.12 N ATOM 363 CA PRO A 24 -11.658 -9.008 1.162 1.00 63.21 C ATOM 364 C PRO A 24 -12.913 -8.947 2.026 1.00 25.51 C ATOM 365 O PRO A 24 -14.019 -8.767 1.518 1.00 12.34 O ATOM 366 CB PRO A 24 -11.311 -7.618 0.624 1.00 0.30 C ATOM 367 CG PRO A 24 -11.935 -7.568 -0.728 1.00 11.02 C ATOM 368 CD PRO A 24 -11.865 -8.970 -1.268 1.00 14.42 C ATOM 0 HA PRO A 24 -10.890 -9.435 1.807 1.00 63.21 H new ATOM 0 HB2 PRO A 24 -11.704 -6.834 1.271 1.00 0.30 H new ATOM 0 HB3 PRO A 24 -10.232 -7.473 0.568 1.00 0.30 H new ATOM 0 HG2 PRO A 24 -12.967 -7.224 -0.669 1.00 11.02 H new ATOM 0 HG3 PRO A 24 -11.404 -6.872 -1.378 1.00 11.02 H new ATOM 0 HD2 PRO A 24 -12.719 -9.198 -1.906 1.00 14.42 H new ATOM 0 HD3 PRO A 24 -10.969 -9.125 -1.868 1.00 14.42 H new ATOM 376 N SER A 25 -12.733 -9.099 3.334 1.00 25.23 N ATOM 377 CA SER A 25 -13.851 -9.065 4.269 1.00 53.21 C ATOM 378 C SER A 25 -14.073 -7.651 4.799 1.00 73.42 C ATOM 379 O SER A 25 -13.166 -6.820 4.777 1.00 34.24 O ATOM 380 CB SER A 25 -13.600 -10.025 5.433 1.00 11.35 C ATOM 381 OG SER A 25 -14.289 -11.249 5.243 1.00 3.53 O ATOM 0 H SER A 25 -11.823 -9.247 3.770 1.00 25.23 H new ATOM 0 HA SER A 25 -14.748 -9.380 3.736 1.00 53.21 H new ATOM 0 HB2 SER A 25 -12.531 -10.217 5.526 1.00 11.35 H new ATOM 0 HB3 SER A 25 -13.924 -9.563 6.366 1.00 11.35 H new ATOM 0 HG SER A 25 -14.111 -11.846 6.000 1.00 3.53 H new ATOM 387 N GLU A 26 -15.287 -7.388 5.274 1.00 42.04 N ATOM 388 CA GLU A 26 -15.629 -6.075 5.808 1.00 24.12 C ATOM 389 C GLU A 26 -14.734 -5.720 6.993 1.00 72.34 C ATOM 390 O GLU A 26 -14.468 -4.547 7.253 1.00 4.12 O ATOM 391 CB GLU A 26 -17.097 -6.041 6.236 1.00 54.31 C ATOM 392 CG GLU A 26 -18.055 -5.726 5.099 1.00 71.30 C ATOM 393 CD GLU A 26 -19.502 -6.000 5.462 1.00 3.12 C ATOM 394 OE1 GLU A 26 -19.803 -7.138 5.880 1.00 4.44 O ATOM 395 OE2 GLU A 26 -20.332 -5.077 5.328 1.00 33.32 O ATOM 0 H GLU A 26 -16.049 -8.066 5.300 1.00 42.04 H new ATOM 0 HA GLU A 26 -15.470 -5.338 5.021 1.00 24.12 H new ATOM 0 HB2 GLU A 26 -17.363 -7.006 6.668 1.00 54.31 H new ATOM 0 HB3 GLU A 26 -17.221 -5.295 7.021 1.00 54.31 H new ATOM 0 HG2 GLU A 26 -17.947 -4.678 4.818 1.00 71.30 H new ATOM 0 HG3 GLU A 26 -17.785 -6.320 4.226 1.00 71.30 H new ATOM 402 N ASP A 27 -14.275 -6.742 7.706 1.00 21.23 N ATOM 403 CA ASP A 27 -13.410 -6.540 8.863 1.00 51.50 C ATOM 404 C ASP A 27 -12.020 -6.085 8.429 1.00 10.22 C ATOM 405 O ASP A 27 -11.455 -5.153 9.001 1.00 35.00 O ATOM 406 CB ASP A 27 -13.307 -7.828 9.681 1.00 3.31 C ATOM 407 CG ASP A 27 -14.149 -7.782 10.941 1.00 22.50 C ATOM 408 OD1 ASP A 27 -15.296 -7.293 10.871 1.00 3.23 O ATOM 409 OD2 ASP A 27 -13.661 -8.237 11.997 1.00 72.54 O ATOM 0 H ASP A 27 -14.487 -7.719 7.504 1.00 21.23 H new ATOM 0 HA ASP A 27 -13.851 -5.760 9.484 1.00 51.50 H new ATOM 0 HB2 ASP A 27 -13.623 -8.671 9.067 1.00 3.31 H new ATOM 0 HB3 ASP A 27 -12.265 -8.002 9.950 1.00 3.31 H new ATOM 414 N GLU A 28 -11.475 -6.750 7.416 1.00 64.32 N ATOM 415 CA GLU A 28 -10.150 -6.415 6.908 1.00 43.15 C ATOM 416 C GLU A 28 -10.171 -5.078 6.173 1.00 52.51 C ATOM 417 O GLU A 28 -9.310 -4.225 6.389 1.00 11.30 O ATOM 418 CB GLU A 28 -9.645 -7.515 5.972 1.00 65.12 C ATOM 419 CG GLU A 28 -8.366 -8.182 6.450 1.00 3.44 C ATOM 420 CD GLU A 28 -8.547 -8.916 7.765 1.00 51.23 C ATOM 421 OE1 GLU A 28 -9.112 -10.029 7.750 1.00 64.41 O ATOM 422 OE2 GLU A 28 -8.124 -8.376 8.808 1.00 2.14 O ATOM 0 H GLU A 28 -11.930 -7.523 6.931 1.00 64.32 H new ATOM 0 HA GLU A 28 -9.474 -6.332 7.759 1.00 43.15 H new ATOM 0 HB2 GLU A 28 -10.421 -8.273 5.864 1.00 65.12 H new ATOM 0 HB3 GLU A 28 -9.475 -7.089 4.983 1.00 65.12 H new ATOM 0 HG2 GLU A 28 -8.021 -8.884 5.691 1.00 3.44 H new ATOM 0 HG3 GLU A 28 -7.588 -7.427 6.563 1.00 3.44 H new ATOM 429 N ARG A 29 -11.161 -4.903 5.304 1.00 52.53 N ATOM 430 CA ARG A 29 -11.295 -3.671 4.536 1.00 45.45 C ATOM 431 C ARG A 29 -11.508 -2.475 5.459 1.00 44.42 C ATOM 432 O ARG A 29 -11.105 -1.354 5.145 1.00 70.22 O ATOM 433 CB ARG A 29 -12.460 -3.782 3.551 1.00 62.23 C ATOM 434 CG ARG A 29 -13.821 -3.568 4.191 1.00 34.04 C ATOM 435 CD ARG A 29 -14.277 -2.123 4.063 1.00 44.24 C ATOM 436 NE ARG A 29 -14.820 -1.836 2.738 1.00 63.04 N ATOM 437 CZ ARG A 29 -15.641 -0.823 2.483 1.00 31.55 C ATOM 438 NH1 ARG A 29 -16.012 -0.005 3.459 1.00 63.33 N ATOM 439 NH2 ARG A 29 -16.093 -0.627 1.251 1.00 32.54 N ATOM 0 H ARG A 29 -11.882 -5.599 5.114 1.00 52.53 H new ATOM 0 HA ARG A 29 -10.371 -3.518 3.979 1.00 45.45 H new ATOM 0 HB2 ARG A 29 -12.323 -3.050 2.755 1.00 62.23 H new ATOM 0 HB3 ARG A 29 -12.438 -4.767 3.085 1.00 62.23 H new ATOM 0 HG2 ARG A 29 -14.553 -4.224 3.720 1.00 34.04 H new ATOM 0 HG3 ARG A 29 -13.776 -3.844 5.244 1.00 34.04 H new ATOM 0 HD2 ARG A 29 -15.034 -1.914 4.818 1.00 44.24 H new ATOM 0 HD3 ARG A 29 -13.436 -1.459 4.262 1.00 44.24 H new ATOM 0 HE ARG A 29 -14.554 -2.447 1.966 1.00 63.04 H new ATOM 0 HH11 ARG A 29 -15.667 -0.153 4.407 1.00 63.33 H new ATOM 0 HH12 ARG A 29 -16.642 0.772 3.261 1.00 63.33 H new ATOM 0 HH21 ARG A 29 -15.810 -1.254 0.498 1.00 32.54 H new ATOM 0 HH22 ARG A 29 -16.723 0.151 1.057 1.00 32.54 H new ATOM 453 N LYS A 30 -12.144 -2.720 6.599 1.00 22.12 N ATOM 454 CA LYS A 30 -12.411 -1.665 7.570 1.00 45.05 C ATOM 455 C LYS A 30 -11.125 -1.228 8.266 1.00 75.43 C ATOM 456 O LYS A 30 -10.916 -0.042 8.518 1.00 10.32 O ATOM 457 CB LYS A 30 -13.428 -2.144 8.607 1.00 11.35 C ATOM 458 CG LYS A 30 -14.869 -1.848 8.228 1.00 1.12 C ATOM 459 CD LYS A 30 -15.404 -0.636 8.973 1.00 61.14 C ATOM 460 CE LYS A 30 -16.904 -0.479 8.777 1.00 70.23 C ATOM 461 NZ LYS A 30 -17.591 -0.091 10.040 1.00 43.33 N ATOM 0 H LYS A 30 -12.485 -3.641 6.874 1.00 22.12 H new ATOM 0 HA LYS A 30 -12.823 -0.809 7.036 1.00 45.05 H new ATOM 0 HB2 LYS A 30 -13.312 -3.219 8.748 1.00 11.35 H new ATOM 0 HB3 LYS A 30 -13.208 -1.671 9.564 1.00 11.35 H new ATOM 0 HG2 LYS A 30 -14.935 -1.674 7.154 1.00 1.12 H new ATOM 0 HG3 LYS A 30 -15.490 -2.716 8.450 1.00 1.12 H new ATOM 0 HD2 LYS A 30 -15.183 -0.734 10.036 1.00 61.14 H new ATOM 0 HD3 LYS A 30 -14.894 0.262 8.623 1.00 61.14 H new ATOM 0 HE2 LYS A 30 -17.093 0.276 8.014 1.00 70.23 H new ATOM 0 HE3 LYS A 30 -17.322 -1.416 8.409 1.00 70.23 H new ATOM 0 HZ1 LYS A 30 -18.611 0.006 9.864 1.00 43.33 H new ATOM 0 HZ2 LYS A 30 -17.432 -0.823 10.761 1.00 43.33 H new ATOM 0 HZ3 LYS A 30 -17.210 0.816 10.378 1.00 43.33 H new ATOM 475 N LYS A 31 -10.267 -2.195 8.573 1.00 44.34 N ATOM 476 CA LYS A 31 -9.000 -1.911 9.237 1.00 12.21 C ATOM 477 C LYS A 31 -8.116 -1.023 8.367 1.00 13.11 C ATOM 478 O LYS A 31 -7.632 0.017 8.816 1.00 71.42 O ATOM 479 CB LYS A 31 -8.268 -3.215 9.563 1.00 51.41 C ATOM 480 CG LYS A 31 -6.842 -3.008 10.044 1.00 14.32 C ATOM 481 CD LYS A 31 -6.196 -4.321 10.454 1.00 51.53 C ATOM 482 CE LYS A 31 -4.762 -4.415 9.956 1.00 2.45 C ATOM 483 NZ LYS A 31 -3.840 -3.564 10.759 1.00 44.02 N ATOM 0 H LYS A 31 -10.426 -3.182 8.373 1.00 44.34 H new ATOM 0 HA LYS A 31 -9.216 -1.381 10.165 1.00 12.21 H new ATOM 0 HB2 LYS A 31 -8.826 -3.754 10.329 1.00 51.41 H new ATOM 0 HB3 LYS A 31 -8.255 -3.846 8.675 1.00 51.41 H new ATOM 0 HG2 LYS A 31 -6.254 -2.544 9.253 1.00 14.32 H new ATOM 0 HG3 LYS A 31 -6.838 -2.320 10.889 1.00 14.32 H new ATOM 0 HD2 LYS A 31 -6.212 -4.412 11.540 1.00 51.53 H new ATOM 0 HD3 LYS A 31 -6.776 -5.153 10.056 1.00 51.53 H new ATOM 0 HE2 LYS A 31 -4.430 -5.452 9.999 1.00 2.45 H new ATOM 0 HE3 LYS A 31 -4.720 -4.110 8.910 1.00 2.45 H new ATOM 0 HZ1 LYS A 31 -3.004 -3.325 10.189 1.00 44.02 H new ATOM 0 HZ2 LYS A 31 -4.330 -2.690 11.039 1.00 44.02 H new ATOM 0 HZ3 LYS A 31 -3.542 -4.082 11.610 1.00 44.02 H new ATOM 497 N ILE A 32 -7.912 -1.438 7.122 1.00 63.33 N ATOM 498 CA ILE A 32 -7.088 -0.679 6.189 1.00 14.31 C ATOM 499 C ILE A 32 -7.704 0.686 5.898 1.00 60.31 C ATOM 500 O ILE A 32 -6.998 1.690 5.805 1.00 25.33 O ATOM 501 CB ILE A 32 -6.896 -1.436 4.862 1.00 21.31 C ATOM 502 CG1 ILE A 32 -5.844 -2.535 5.025 1.00 32.51 C ATOM 503 CG2 ILE A 32 -6.495 -0.472 3.755 1.00 34.42 C ATOM 504 CD1 ILE A 32 -5.680 -3.402 3.796 1.00 42.42 C ATOM 0 H ILE A 32 -8.306 -2.296 6.735 1.00 63.33 H new ATOM 0 HA ILE A 32 -6.116 -0.544 6.664 1.00 14.31 H new ATOM 0 HB ILE A 32 -7.842 -1.902 4.586 1.00 21.31 H new ATOM 0 HG12 ILE A 32 -4.885 -2.076 5.266 1.00 32.51 H new ATOM 0 HG13 ILE A 32 -6.117 -3.166 5.871 1.00 32.51 H new ATOM 0 HG21 ILE A 32 -6.363 -1.022 2.823 1.00 34.42 H new ATOM 0 HG22 ILE A 32 -7.275 0.278 3.626 1.00 34.42 H new ATOM 0 HG23 ILE A 32 -5.559 0.019 4.022 1.00 34.42 H new ATOM 0 HD11 ILE A 32 -4.918 -4.159 3.984 1.00 42.42 H new ATOM 0 HD12 ILE A 32 -6.627 -3.890 3.566 1.00 42.42 H new ATOM 0 HD13 ILE A 32 -5.376 -2.783 2.952 1.00 42.42 H new ATOM 516 N ARG A 33 -9.025 0.715 5.756 1.00 31.32 N ATOM 517 CA ARG A 33 -9.736 1.956 5.476 1.00 14.13 C ATOM 518 C ARG A 33 -9.766 2.856 6.709 1.00 63.45 C ATOM 519 O ARG A 33 -9.960 4.067 6.601 1.00 74.50 O ATOM 520 CB ARG A 33 -11.164 1.658 5.015 1.00 33.13 C ATOM 521 CG ARG A 33 -12.002 2.905 4.783 1.00 33.52 C ATOM 522 CD ARG A 33 -12.807 2.803 3.497 1.00 12.10 C ATOM 523 NE ARG A 33 -13.209 4.115 2.998 1.00 42.52 N ATOM 524 CZ ARG A 33 -14.194 4.833 3.527 1.00 43.14 C ATOM 525 NH1 ARG A 33 -14.873 4.368 4.566 1.00 74.25 N ATOM 526 NH2 ARG A 33 -14.500 6.019 3.016 1.00 11.03 N ATOM 0 H ARG A 33 -9.624 -0.107 5.830 1.00 31.32 H new ATOM 0 HA ARG A 33 -9.205 2.477 4.679 1.00 14.13 H new ATOM 0 HB2 ARG A 33 -11.125 1.080 4.092 1.00 33.13 H new ATOM 0 HB3 ARG A 33 -11.655 1.034 5.762 1.00 33.13 H new ATOM 0 HG2 ARG A 33 -12.677 3.053 5.626 1.00 33.52 H new ATOM 0 HG3 ARG A 33 -11.352 3.779 4.738 1.00 33.52 H new ATOM 0 HD2 ARG A 33 -12.214 2.292 2.738 1.00 12.10 H new ATOM 0 HD3 ARG A 33 -13.694 2.194 3.672 1.00 12.10 H new ATOM 0 HE ARG A 33 -12.706 4.502 2.199 1.00 42.52 H new ATOM 0 HH11 ARG A 33 -14.640 3.457 4.961 1.00 74.25 H new ATOM 0 HH12 ARG A 33 -15.629 4.921 4.970 1.00 74.25 H new ATOM 0 HH21 ARG A 33 -13.979 6.380 2.217 1.00 11.03 H new ATOM 0 HH22 ARG A 33 -15.256 6.570 3.422 1.00 11.03 H new ATOM 540 N ASP A 34 -9.572 2.255 7.878 1.00 43.25 N ATOM 541 CA ASP A 34 -9.575 3.002 9.130 1.00 33.44 C ATOM 542 C ASP A 34 -8.152 3.319 9.578 1.00 41.33 C ATOM 543 O ASP A 34 -7.932 3.799 10.691 1.00 60.22 O ATOM 544 CB ASP A 34 -10.300 2.209 10.219 1.00 73.30 C ATOM 545 CG ASP A 34 -11.801 2.174 10.008 1.00 52.31 C ATOM 546 OD1 ASP A 34 -12.242 2.351 8.853 1.00 54.12 O ATOM 547 OD2 ASP A 34 -12.535 1.970 10.997 1.00 25.25 O ATOM 0 H ASP A 34 -9.411 1.253 7.984 1.00 43.25 H new ATOM 0 HA ASP A 34 -10.102 3.942 8.962 1.00 33.44 H new ATOM 0 HB2 ASP A 34 -9.915 1.189 10.239 1.00 73.30 H new ATOM 0 HB3 ASP A 34 -10.083 2.651 11.192 1.00 73.30 H new ATOM 552 N LEU A 35 -7.189 3.048 8.704 1.00 5.41 N ATOM 553 CA LEU A 35 -5.785 3.304 9.009 1.00 11.41 C ATOM 554 C LEU A 35 -5.508 4.803 9.081 1.00 30.45 C ATOM 555 O LEU A 35 -6.265 5.624 8.564 1.00 45.43 O ATOM 556 CB LEU A 35 -4.887 2.659 7.952 1.00 31.44 C ATOM 557 CG LEU A 35 -4.570 1.177 8.156 1.00 22.31 C ATOM 558 CD1 LEU A 35 -3.819 0.622 6.956 1.00 64.12 C ATOM 559 CD2 LEU A 35 -3.765 0.974 9.432 1.00 40.05 C ATOM 0 H LEU A 35 -7.354 2.651 7.779 1.00 5.41 H new ATOM 0 HA LEU A 35 -5.564 2.865 9.982 1.00 11.41 H new ATOM 0 HB2 LEU A 35 -5.362 2.778 6.978 1.00 31.44 H new ATOM 0 HB3 LEU A 35 -3.947 3.210 7.917 1.00 31.44 H new ATOM 0 HG LEU A 35 -5.510 0.634 8.253 1.00 22.31 H new ATOM 0 HD11 LEU A 35 -3.602 -0.434 7.119 1.00 64.12 H new ATOM 0 HD12 LEU A 35 -4.431 0.733 6.061 1.00 64.12 H new ATOM 0 HD13 LEU A 35 -2.885 1.169 6.827 1.00 64.12 H new ATOM 0 HD21 LEU A 35 -3.549 -0.087 9.561 1.00 40.05 H new ATOM 0 HD22 LEU A 35 -2.830 1.530 9.364 1.00 40.05 H new ATOM 0 HD23 LEU A 35 -4.340 1.333 10.286 1.00 40.05 H new ATOM 571 N PRO A 36 -4.397 5.168 9.737 1.00 4.13 N ATOM 572 CA PRO A 36 -3.992 6.569 9.890 1.00 33.25 C ATOM 573 C PRO A 36 -3.537 7.188 8.574 1.00 43.05 C ATOM 574 O PRO A 36 -2.557 6.744 7.975 1.00 44.33 O ATOM 575 CB PRO A 36 -2.826 6.495 10.879 1.00 44.34 C ATOM 576 CG PRO A 36 -2.275 5.121 10.713 1.00 20.00 C ATOM 577 CD PRO A 36 -3.449 4.242 10.379 1.00 5.13 C ATOM 0 HA PRO A 36 -4.816 7.197 10.228 1.00 33.25 H new ATOM 0 HB2 PRO A 36 -2.073 7.252 10.661 1.00 44.34 H new ATOM 0 HB3 PRO A 36 -3.163 6.666 11.902 1.00 44.34 H new ATOM 0 HG2 PRO A 36 -1.528 5.093 9.919 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -1.783 4.785 11.626 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -3.165 3.430 9.710 1.00 5.13 H new ATOM 0 HD3 PRO A 36 -3.876 3.785 11.272 1.00 5.13 H new ATOM 585 N ILE A 37 -4.253 8.215 8.129 1.00 73.33 N ATOM 586 CA ILE A 37 -3.921 8.895 6.883 1.00 3.23 C ATOM 587 C ILE A 37 -2.622 9.683 7.017 1.00 21.12 C ATOM 588 O ILE A 37 -1.866 9.821 6.056 1.00 63.22 O ATOM 589 CB ILE A 37 -5.046 9.852 6.447 1.00 42.21 C ATOM 590 CG1 ILE A 37 -5.427 10.785 7.598 1.00 30.23 C ATOM 591 CG2 ILE A 37 -6.258 9.064 5.973 1.00 24.21 C ATOM 592 CD1 ILE A 37 -6.427 11.850 7.207 1.00 2.41 C ATOM 0 H ILE A 37 -5.067 8.595 8.613 1.00 73.33 H new ATOM 0 HA ILE A 37 -3.798 8.122 6.124 1.00 3.23 H new ATOM 0 HB ILE A 37 -4.685 10.459 5.617 1.00 42.21 H new ATOM 0 HG12 ILE A 37 -5.840 10.192 8.414 1.00 30.23 H new ATOM 0 HG13 ILE A 37 -4.526 11.266 7.978 1.00 30.23 H new ATOM 0 HG21 ILE A 37 -7.044 9.754 5.668 1.00 24.21 H new ATOM 0 HG22 ILE A 37 -5.977 8.438 5.126 1.00 24.21 H new ATOM 0 HG23 ILE A 37 -6.623 8.434 6.784 1.00 24.21 H new ATOM 0 HD11 ILE A 37 -6.651 12.474 8.072 1.00 2.41 H new ATOM 0 HD12 ILE A 37 -6.009 12.468 6.412 1.00 2.41 H new ATOM 0 HD13 ILE A 37 -7.343 11.377 6.855 1.00 2.41 H new ATOM 604 N SER A 38 -2.369 10.197 8.217 1.00 63.44 N ATOM 605 CA SER A 38 -1.162 10.973 8.477 1.00 62.44 C ATOM 606 C SER A 38 0.076 10.082 8.435 1.00 62.10 C ATOM 607 O SER A 38 1.196 10.563 8.260 1.00 44.41 O ATOM 608 CB SER A 38 -1.259 11.667 9.837 1.00 72.45 C ATOM 609 OG SER A 38 -0.681 10.872 10.857 1.00 32.43 O ATOM 0 H SER A 38 -2.984 10.090 9.024 1.00 63.44 H new ATOM 0 HA SER A 38 -1.071 11.729 7.697 1.00 62.44 H new ATOM 0 HB2 SER A 38 -0.754 12.632 9.793 1.00 72.45 H new ATOM 0 HB3 SER A 38 -2.304 11.865 10.074 1.00 72.45 H new ATOM 0 HG SER A 38 -0.754 11.338 11.716 1.00 32.43 H new ATOM 615 N LEU A 39 -0.134 8.780 8.597 1.00 2.32 N ATOM 616 CA LEU A 39 0.964 7.820 8.578 1.00 22.05 C ATOM 617 C LEU A 39 1.497 7.630 7.162 1.00 61.30 C ATOM 618 O LEU A 39 2.675 7.330 6.966 1.00 40.04 O ATOM 619 CB LEU A 39 0.503 6.477 9.147 1.00 71.22 C ATOM 620 CG LEU A 39 1.545 5.692 9.945 1.00 51.22 C ATOM 621 CD1 LEU A 39 0.890 4.968 11.111 1.00 51.12 C ATOM 622 CD2 LEU A 39 2.275 4.706 9.044 1.00 14.13 C ATOM 0 H LEU A 39 -1.054 8.365 8.743 1.00 2.32 H new ATOM 0 HA LEU A 39 1.769 8.213 9.199 1.00 22.05 H new ATOM 0 HB2 LEU A 39 -0.359 6.654 9.790 1.00 71.22 H new ATOM 0 HB3 LEU A 39 0.162 5.853 8.321 1.00 71.22 H new ATOM 0 HG LEU A 39 2.274 6.396 10.345 1.00 51.22 H new ATOM 0 HD11 LEU A 39 1.647 4.415 11.667 1.00 51.12 H new ATOM 0 HD12 LEU A 39 0.414 5.695 11.770 1.00 51.12 H new ATOM 0 HD13 LEU A 39 0.139 4.275 10.733 1.00 51.12 H new ATOM 0 HD21 LEU A 39 3.013 4.156 9.629 1.00 14.13 H new ATOM 0 HD22 LEU A 39 1.558 4.006 8.614 1.00 14.13 H new ATOM 0 HD23 LEU A 39 2.778 5.248 8.243 1.00 14.13 H new ATOM 634 N PHE A 40 0.622 7.808 6.177 1.00 25.24 N ATOM 635 CA PHE A 40 1.005 7.657 4.778 1.00 1.04 C ATOM 636 C PHE A 40 0.765 8.951 4.006 1.00 2.24 C ATOM 637 O PHE A 40 -0.346 9.480 3.991 1.00 53.34 O ATOM 638 CB PHE A 40 0.221 6.512 4.134 1.00 54.54 C ATOM 639 CG PHE A 40 0.053 5.320 5.032 1.00 53.33 C ATOM 640 CD1 PHE A 40 -1.008 5.250 5.921 1.00 44.12 C ATOM 641 CD2 PHE A 40 0.955 4.270 4.986 1.00 32.43 C ATOM 642 CE1 PHE A 40 -1.164 4.155 6.749 1.00 62.52 C ATOM 643 CE2 PHE A 40 0.803 3.171 5.812 1.00 45.24 C ATOM 644 CZ PHE A 40 -0.258 3.113 6.693 1.00 1.33 C ATOM 0 H PHE A 40 -0.357 8.057 6.322 1.00 25.24 H new ATOM 0 HA PHE A 40 2.069 7.425 4.741 1.00 1.04 H new ATOM 0 HB2 PHE A 40 -0.763 6.877 3.840 1.00 54.54 H new ATOM 0 HB3 PHE A 40 0.731 6.201 3.222 1.00 54.54 H new ATOM 0 HD1 PHE A 40 -1.721 6.060 5.967 1.00 44.12 H new ATOM 0 HD2 PHE A 40 1.786 4.310 4.298 1.00 32.43 H new ATOM 0 HE1 PHE A 40 -1.993 4.113 7.439 1.00 62.52 H new ATOM 0 HE2 PHE A 40 1.514 2.359 5.768 1.00 45.24 H new ATOM 0 HZ PHE A 40 -0.380 2.255 7.337 1.00 1.33 H new ATOM 654 N ASP A 41 1.815 9.455 3.368 1.00 4.41 N ATOM 655 CA ASP A 41 1.720 10.687 2.593 1.00 3.23 C ATOM 656 C ASP A 41 0.713 10.538 1.458 1.00 52.45 C ATOM 657 O ASP A 41 0.240 11.529 0.900 1.00 44.15 O ATOM 658 CB ASP A 41 3.090 11.068 2.030 1.00 64.41 C ATOM 659 CG ASP A 41 3.387 12.547 2.178 1.00 53.05 C ATOM 660 OD1 ASP A 41 2.444 13.356 2.049 1.00 4.12 O ATOM 661 OD2 ASP A 41 4.561 12.896 2.421 1.00 61.15 O ATOM 0 H ASP A 41 2.742 9.030 3.372 1.00 4.41 H new ATOM 0 HA ASP A 41 1.376 11.480 3.258 1.00 3.23 H new ATOM 0 HB2 ASP A 41 3.862 10.493 2.541 1.00 64.41 H new ATOM 0 HB3 ASP A 41 3.135 10.795 0.976 1.00 64.41 H new ATOM 666 N TYR A 42 0.389 9.295 1.120 1.00 44.22 N ATOM 667 CA TYR A 42 -0.559 9.016 0.048 1.00 11.51 C ATOM 668 C TYR A 42 -1.264 7.683 0.277 1.00 23.22 C ATOM 669 O TYR A 42 -0.619 6.646 0.437 1.00 11.24 O ATOM 670 CB TYR A 42 0.156 9.002 -1.304 1.00 4.32 C ATOM 671 CG TYR A 42 -0.760 8.713 -2.471 1.00 31.30 C ATOM 672 CD1 TYR A 42 -2.065 9.189 -2.489 1.00 53.13 C ATOM 673 CD2 TYR A 42 -0.322 7.962 -3.555 1.00 4.13 C ATOM 674 CE1 TYR A 42 -2.907 8.927 -3.553 1.00 63.52 C ATOM 675 CE2 TYR A 42 -1.155 7.696 -4.623 1.00 74.15 C ATOM 676 CZ TYR A 42 -2.447 8.180 -4.618 1.00 1.00 C ATOM 677 OH TYR A 42 -3.281 7.916 -5.680 1.00 71.21 O ATOM 0 H TYR A 42 0.769 8.464 1.573 1.00 44.22 H new ATOM 0 HA TYR A 42 -1.309 9.807 0.046 1.00 11.51 H new ATOM 0 HB2 TYR A 42 0.637 9.967 -1.461 1.00 4.32 H new ATOM 0 HB3 TYR A 42 0.947 8.252 -1.279 1.00 4.32 H new ATOM 0 HD1 TYR A 42 -2.428 9.774 -1.657 1.00 53.13 H new ATOM 0 HD2 TYR A 42 0.688 7.580 -3.562 1.00 4.13 H new ATOM 0 HE1 TYR A 42 -3.919 9.305 -3.551 1.00 63.52 H new ATOM 0 HE2 TYR A 42 -0.797 7.112 -5.458 1.00 74.15 H new ATOM 0 HH TYR A 42 -4.203 8.141 -5.436 1.00 71.21 H new ATOM 687 N PHE A 43 -2.592 7.718 0.291 1.00 71.30 N ATOM 688 CA PHE A 43 -3.386 6.513 0.501 1.00 73.24 C ATOM 689 C PHE A 43 -4.521 6.425 -0.516 1.00 42.41 C ATOM 690 O PHE A 43 -5.429 7.257 -0.522 1.00 4.42 O ATOM 691 CB PHE A 43 -3.956 6.493 1.920 1.00 32.35 C ATOM 692 CG PHE A 43 -4.012 5.119 2.525 1.00 61.23 C ATOM 693 CD1 PHE A 43 -4.034 3.993 1.717 1.00 35.15 C ATOM 694 CD2 PHE A 43 -4.042 4.953 3.900 1.00 13.10 C ATOM 695 CE1 PHE A 43 -4.085 2.727 2.270 1.00 14.02 C ATOM 696 CE2 PHE A 43 -4.093 3.690 4.458 1.00 22.14 C ATOM 697 CZ PHE A 43 -4.116 2.576 3.643 1.00 64.44 C ATOM 0 H PHE A 43 -3.141 8.567 0.159 1.00 71.30 H new ATOM 0 HA PHE A 43 -2.733 5.650 0.367 1.00 73.24 H new ATOM 0 HB2 PHE A 43 -3.348 7.137 2.556 1.00 32.35 H new ATOM 0 HB3 PHE A 43 -4.960 6.916 1.905 1.00 32.35 H new ATOM 0 HD1 PHE A 43 -4.011 4.106 0.643 1.00 35.15 H new ATOM 0 HD2 PHE A 43 -4.025 5.821 4.543 1.00 13.10 H new ATOM 0 HE1 PHE A 43 -4.101 1.857 1.630 1.00 14.02 H new ATOM 0 HE2 PHE A 43 -4.115 3.574 5.532 1.00 22.14 H new ATOM 0 HZ PHE A 43 -4.158 1.588 4.078 1.00 64.44 H new ATOM 707 N ILE A 44 -4.461 5.413 -1.375 1.00 10.05 N ATOM 708 CA ILE A 44 -5.483 5.216 -2.395 1.00 42.43 C ATOM 709 C ILE A 44 -5.864 3.745 -2.515 1.00 70.32 C ATOM 710 O ILE A 44 -5.032 2.902 -2.850 1.00 64.14 O ATOM 711 CB ILE A 44 -5.011 5.726 -3.770 1.00 10.53 C ATOM 712 CG1 ILE A 44 -5.953 5.235 -4.871 1.00 43.31 C ATOM 713 CG2 ILE A 44 -3.585 5.271 -4.043 1.00 11.54 C ATOM 714 CD1 ILE A 44 -6.217 6.267 -5.945 1.00 10.41 C ATOM 0 H ILE A 44 -3.715 4.717 -1.385 1.00 10.05 H new ATOM 0 HA ILE A 44 -6.355 5.790 -2.083 1.00 42.43 H new ATOM 0 HB ILE A 44 -5.028 6.816 -3.762 1.00 10.53 H new ATOM 0 HG12 ILE A 44 -5.527 4.344 -5.332 1.00 43.31 H new ATOM 0 HG13 ILE A 44 -6.901 4.939 -4.422 1.00 43.31 H new ATOM 0 HG21 ILE A 44 -3.266 5.639 -5.018 1.00 11.54 H new ATOM 0 HG22 ILE A 44 -2.923 5.665 -3.272 1.00 11.54 H new ATOM 0 HG23 ILE A 44 -3.543 4.182 -4.035 1.00 11.54 H new ATOM 0 HD11 ILE A 44 -6.892 5.850 -6.692 1.00 10.41 H new ATOM 0 HD12 ILE A 44 -6.672 7.150 -5.497 1.00 10.41 H new ATOM 0 HD13 ILE A 44 -5.277 6.545 -6.421 1.00 10.41 H new ATOM 726 N VAL A 45 -7.129 3.442 -2.241 1.00 10.44 N ATOM 727 CA VAL A 45 -7.622 2.073 -2.320 1.00 74.24 C ATOM 728 C VAL A 45 -8.832 1.977 -3.244 1.00 5.20 C ATOM 729 O VAL A 45 -9.598 2.930 -3.382 1.00 23.24 O ATOM 730 CB VAL A 45 -8.008 1.533 -0.930 1.00 51.23 C ATOM 731 CG1 VAL A 45 -7.947 0.014 -0.911 1.00 70.53 C ATOM 732 CG2 VAL A 45 -7.103 2.125 0.140 1.00 34.31 C ATOM 0 H VAL A 45 -7.831 4.127 -1.962 1.00 10.44 H new ATOM 0 HA VAL A 45 -6.810 1.468 -2.724 1.00 74.24 H new ATOM 0 HB VAL A 45 -9.033 1.833 -0.714 1.00 51.23 H new ATOM 0 HG11 VAL A 45 -8.223 -0.349 0.079 1.00 70.53 H new ATOM 0 HG12 VAL A 45 -8.640 -0.387 -1.651 1.00 70.53 H new ATOM 0 HG13 VAL A 45 -6.934 -0.312 -1.148 1.00 70.53 H new ATOM 0 HG21 VAL A 45 -7.389 1.733 1.116 1.00 34.31 H new ATOM 0 HG22 VAL A 45 -6.068 1.856 -0.070 1.00 34.31 H new ATOM 0 HG23 VAL A 45 -7.203 3.210 0.141 1.00 34.31 H new ATOM 742 N GLY A 46 -8.997 0.819 -3.876 1.00 20.24 N ATOM 743 CA GLY A 46 -10.116 0.619 -4.778 1.00 45.45 C ATOM 744 C GLY A 46 -10.592 -0.819 -4.802 1.00 62.54 C ATOM 745 O GLY A 46 -9.785 -1.747 -4.762 1.00 23.33 O ATOM 0 H GLY A 46 -8.376 0.016 -3.779 1.00 20.24 H new ATOM 0 HA2 GLY A 46 -10.940 1.266 -4.478 1.00 45.45 H new ATOM 0 HA3 GLY A 46 -9.825 0.919 -5.785 1.00 45.45 H new ATOM 749 N GLU A 47 -11.907 -1.005 -4.867 1.00 64.11 N ATOM 750 CA GLU A 47 -12.488 -2.342 -4.894 1.00 12.04 C ATOM 751 C GLU A 47 -12.727 -2.803 -6.328 1.00 72.15 C ATOM 752 O GLU A 47 -13.252 -2.055 -7.152 1.00 12.51 O ATOM 753 CB GLU A 47 -13.804 -2.365 -4.113 1.00 31.40 C ATOM 754 CG GLU A 47 -14.578 -3.664 -4.264 1.00 31.24 C ATOM 755 CD GLU A 47 -13.758 -4.880 -3.878 1.00 71.11 C ATOM 756 OE1 GLU A 47 -13.037 -4.810 -2.861 1.00 24.10 O ATOM 757 OE2 GLU A 47 -13.837 -5.901 -4.593 1.00 13.21 O ATOM 0 H GLU A 47 -12.589 -0.247 -4.902 1.00 64.11 H new ATOM 0 HA GLU A 47 -11.782 -3.027 -4.424 1.00 12.04 H new ATOM 0 HB2 GLU A 47 -13.593 -2.198 -3.057 1.00 31.40 H new ATOM 0 HB3 GLU A 47 -14.430 -1.538 -4.448 1.00 31.40 H new ATOM 0 HG2 GLU A 47 -15.474 -3.623 -3.644 1.00 31.24 H new ATOM 0 HG3 GLU A 47 -14.910 -3.767 -5.297 1.00 31.24 H new ATOM 875 N PRO A 56 -14.879 -10.589 -5.502 1.00 61.01 N ATOM 876 CA PRO A 56 -14.387 -9.282 -5.056 1.00 65.32 C ATOM 877 C PRO A 56 -12.922 -9.328 -4.634 1.00 11.12 C ATOM 878 O PRO A 56 -12.479 -10.283 -3.995 1.00 72.22 O ATOM 879 CB PRO A 56 -15.279 -8.957 -3.856 1.00 74.51 C ATOM 880 CG PRO A 56 -15.728 -10.284 -3.348 1.00 12.02 C ATOM 881 CD PRO A 56 -15.844 -11.172 -4.555 1.00 72.54 C ATOM 0 HA PRO A 56 -14.431 -8.537 -5.851 1.00 65.32 H new ATOM 0 HB2 PRO A 56 -14.730 -8.406 -3.092 1.00 74.51 H new ATOM 0 HB3 PRO A 56 -16.127 -8.338 -4.149 1.00 74.51 H new ATOM 0 HG2 PRO A 56 -15.013 -10.690 -2.632 1.00 12.02 H new ATOM 0 HG3 PRO A 56 -16.684 -10.201 -2.831 1.00 12.02 H new ATOM 0 HD2 PRO A 56 -15.598 -12.207 -4.317 1.00 72.54 H new ATOM 0 HD3 PRO A 56 -16.856 -11.169 -4.960 1.00 72.54 H new ATOM 889 N HIS A 57 -12.174 -8.289 -4.994 1.00 34.52 N ATOM 890 CA HIS A 57 -10.759 -8.211 -4.651 1.00 21.14 C ATOM 891 C HIS A 57 -10.376 -6.791 -4.244 1.00 34.35 C ATOM 892 O HIS A 57 -10.821 -5.818 -4.854 1.00 64.22 O ATOM 893 CB HIS A 57 -9.900 -8.664 -5.832 1.00 32.34 C ATOM 894 CG HIS A 57 -8.431 -8.468 -5.614 1.00 73.33 C ATOM 895 ND1 HIS A 57 -7.606 -9.455 -5.118 1.00 3.11 N ATOM 896 CD2 HIS A 57 -7.640 -7.391 -5.831 1.00 33.43 C ATOM 897 CE1 HIS A 57 -6.371 -8.993 -5.037 1.00 2.23 C ATOM 898 NE2 HIS A 57 -6.365 -7.743 -5.464 1.00 4.13 N ATOM 0 H HIS A 57 -12.525 -7.490 -5.523 1.00 34.52 H new ATOM 0 HA HIS A 57 -10.579 -8.874 -3.805 1.00 21.14 H new ATOM 0 HB2 HIS A 57 -10.092 -9.719 -6.027 1.00 32.34 H new ATOM 0 HB3 HIS A 57 -10.203 -8.115 -6.723 1.00 32.34 H new ATOM 0 HD2 HIS A 57 -7.954 -6.434 -6.220 1.00 33.43 H new ATOM 0 HE1 HIS A 57 -5.512 -9.544 -4.682 1.00 2.23 H new ATOM 0 HE2 HIS A 57 -5.546 -7.137 -5.513 1.00 4.13 H new ATOM 906 N LEU A 58 -9.551 -6.680 -3.209 1.00 11.15 N ATOM 907 CA LEU A 58 -9.109 -5.379 -2.719 1.00 51.30 C ATOM 908 C LEU A 58 -7.712 -5.049 -3.234 1.00 24.32 C ATOM 909 O LEU A 58 -6.739 -5.721 -2.890 1.00 14.23 O ATOM 910 CB LEU A 58 -9.120 -5.357 -1.190 1.00 1.35 C ATOM 911 CG LEU A 58 -9.899 -4.212 -0.540 1.00 70.33 C ATOM 912 CD1 LEU A 58 -9.715 -4.230 0.969 1.00 5.12 C ATOM 913 CD2 LEU A 58 -9.461 -2.874 -1.117 1.00 71.14 C ATOM 0 H LEU A 58 -9.175 -7.475 -2.693 1.00 11.15 H new ATOM 0 HA LEU A 58 -9.801 -4.624 -3.092 1.00 51.30 H new ATOM 0 HB2 LEU A 58 -9.537 -6.300 -0.836 1.00 1.35 H new ATOM 0 HB3 LEU A 58 -8.089 -5.313 -0.840 1.00 1.35 H new ATOM 0 HG LEU A 58 -10.958 -4.349 -0.757 1.00 70.33 H new ATOM 0 HD11 LEU A 58 -10.276 -3.408 1.414 1.00 5.12 H new ATOM 0 HD12 LEU A 58 -10.079 -5.177 1.369 1.00 5.12 H new ATOM 0 HD13 LEU A 58 -8.657 -4.118 1.208 1.00 5.12 H new ATOM 0 HD21 LEU A 58 -10.026 -2.071 -0.643 1.00 71.14 H new ATOM 0 HD22 LEU A 58 -8.397 -2.728 -0.931 1.00 71.14 H new ATOM 0 HD23 LEU A 58 -9.646 -2.863 -2.191 1.00 71.14 H new ATOM 925 N GLN A 59 -7.620 -4.010 -4.058 1.00 23.52 N ATOM 926 CA GLN A 59 -6.340 -3.591 -4.618 1.00 75.53 C ATOM 927 C GLN A 59 -6.125 -2.094 -4.423 1.00 23.41 C ATOM 928 O GLN A 59 -6.840 -1.274 -4.996 1.00 15.14 O ATOM 929 CB GLN A 59 -6.274 -3.938 -6.107 1.00 23.44 C ATOM 930 CG GLN A 59 -5.146 -3.236 -6.845 1.00 24.10 C ATOM 931 CD GLN A 59 -3.779 -3.577 -6.283 1.00 54.23 C ATOM 932 OE1 GLN A 59 -3.495 -3.321 -5.113 1.00 34.33 O ATOM 933 NE2 GLN A 59 -2.924 -4.157 -7.117 1.00 72.20 N ATOM 0 H GLN A 59 -8.415 -3.443 -4.352 1.00 23.52 H new ATOM 0 HA GLN A 59 -5.549 -4.125 -4.092 1.00 75.53 H new ATOM 0 HB2 GLN A 59 -6.153 -5.016 -6.215 1.00 23.44 H new ATOM 0 HB3 GLN A 59 -7.223 -3.675 -6.575 1.00 23.44 H new ATOM 0 HG2 GLN A 59 -5.180 -3.511 -7.899 1.00 24.10 H new ATOM 0 HG3 GLN A 59 -5.298 -2.158 -6.792 1.00 24.10 H new ATOM 0 HE21 GLN A 59 -3.202 -4.351 -8.079 1.00 72.20 H new ATOM 0 HE22 GLN A 59 -1.989 -4.409 -6.796 1.00 72.20 H new ATOM 942 N GLY A 60 -5.133 -1.745 -3.609 1.00 63.51 N ATOM 943 CA GLY A 60 -4.841 -0.347 -3.352 1.00 61.32 C ATOM 944 C GLY A 60 -3.365 -0.098 -3.112 1.00 52.30 C ATOM 945 O GLY A 60 -2.598 -1.034 -2.889 1.00 21.33 O ATOM 0 H GLY A 60 -4.527 -2.406 -3.123 1.00 63.51 H new ATOM 0 HA2 GLY A 60 -5.174 0.252 -4.199 1.00 61.32 H new ATOM 0 HA3 GLY A 60 -5.409 -0.014 -2.483 1.00 61.32 H new ATOM 949 N PHE A 61 -2.966 1.169 -3.159 1.00 64.23 N ATOM 950 CA PHE A 61 -1.571 1.539 -2.948 1.00 31.13 C ATOM 951 C PHE A 61 -1.445 2.565 -1.825 1.00 61.13 C ATOM 952 O PHE A 61 -2.268 3.471 -1.703 1.00 53.20 O ATOM 953 CB PHE A 61 -0.969 2.101 -4.237 1.00 70.44 C ATOM 954 CG PHE A 61 0.328 2.828 -4.026 1.00 51.23 C ATOM 955 CD1 PHE A 61 1.422 2.177 -3.480 1.00 60.41 C ATOM 956 CD2 PHE A 61 0.453 4.163 -4.374 1.00 42.44 C ATOM 957 CE1 PHE A 61 2.616 2.844 -3.284 1.00 42.11 C ATOM 958 CE2 PHE A 61 1.645 4.836 -4.181 1.00 41.02 C ATOM 959 CZ PHE A 61 2.728 4.175 -3.636 1.00 44.02 C ATOM 0 H PHE A 61 -3.588 1.956 -3.341 1.00 64.23 H new ATOM 0 HA PHE A 61 -1.023 0.642 -2.661 1.00 31.13 H new ATOM 0 HB2 PHE A 61 -0.808 1.284 -4.940 1.00 70.44 H new ATOM 0 HB3 PHE A 61 -1.686 2.780 -4.697 1.00 70.44 H new ATOM 0 HD1 PHE A 61 1.341 1.136 -3.204 1.00 60.41 H new ATOM 0 HD2 PHE A 61 -0.391 4.684 -4.801 1.00 42.44 H new ATOM 0 HE1 PHE A 61 3.461 2.325 -2.856 1.00 42.11 H new ATOM 0 HE2 PHE A 61 1.729 5.877 -4.456 1.00 41.02 H new ATOM 0 HZ PHE A 61 3.661 4.698 -3.485 1.00 44.02 H new ATOM 969 N ALA A 62 -0.408 2.414 -1.008 1.00 10.13 N ATOM 970 CA ALA A 62 -0.172 3.327 0.104 1.00 54.33 C ATOM 971 C ALA A 62 1.299 3.720 0.189 1.00 34.23 C ATOM 972 O ALA A 62 2.177 2.861 0.254 1.00 30.13 O ATOM 973 CB ALA A 62 -0.629 2.697 1.411 1.00 74.32 C ATOM 0 H ALA A 62 0.282 1.668 -1.095 1.00 10.13 H new ATOM 0 HA ALA A 62 -0.753 4.232 -0.072 1.00 54.33 H new ATOM 0 HB1 ALA A 62 -0.447 3.390 2.232 1.00 74.32 H new ATOM 0 HB2 ALA A 62 -1.694 2.474 1.354 1.00 74.32 H new ATOM 0 HB3 ALA A 62 -0.074 1.775 1.584 1.00 74.32 H new ATOM 979 N ASN A 63 1.560 5.023 0.188 1.00 34.01 N ATOM 980 CA ASN A 63 2.925 5.529 0.264 1.00 3.04 C ATOM 981 C ASN A 63 3.312 5.836 1.708 1.00 31.20 C ATOM 982 O ASN A 63 2.759 6.742 2.331 1.00 15.11 O ATOM 983 CB ASN A 63 3.074 6.787 -0.594 1.00 12.25 C ATOM 984 CG ASN A 63 4.503 7.294 -0.635 1.00 34.43 C ATOM 985 OD1 ASN A 63 5.129 7.504 0.404 1.00 34.13 O ATOM 986 ND2 ASN A 63 5.025 7.492 -1.839 1.00 43.12 N ATOM 0 H ASN A 63 0.844 5.748 0.135 1.00 34.01 H new ATOM 0 HA ASN A 63 3.594 4.757 -0.117 1.00 3.04 H new ATOM 0 HB2 ASN A 63 2.738 6.573 -1.609 1.00 12.25 H new ATOM 0 HB3 ASN A 63 2.425 7.570 -0.202 1.00 12.25 H new ATOM 0 HD21 ASN A 63 5.982 7.832 -1.930 1.00 43.12 H new ATOM 0 HD22 ASN A 63 4.469 7.304 -2.673 1.00 43.12 H new ATOM 993 N PHE A 64 4.266 5.075 2.234 1.00 71.42 N ATOM 994 CA PHE A 64 4.727 5.264 3.604 1.00 11.32 C ATOM 995 C PHE A 64 5.501 6.572 3.741 1.00 23.14 C ATOM 996 O PHE A 64 6.410 6.853 2.960 1.00 51.42 O ATOM 997 CB PHE A 64 5.607 4.089 4.036 1.00 40.51 C ATOM 998 CG PHE A 64 4.935 3.162 5.008 1.00 51.51 C ATOM 999 CD1 PHE A 64 4.779 3.525 6.336 1.00 31.43 C ATOM 1000 CD2 PHE A 64 4.459 1.929 4.593 1.00 14.24 C ATOM 1001 CE1 PHE A 64 4.162 2.673 7.233 1.00 54.12 C ATOM 1002 CE2 PHE A 64 3.840 1.074 5.485 1.00 31.53 C ATOM 1003 CZ PHE A 64 3.690 1.447 6.807 1.00 64.44 C ATOM 0 H PHE A 64 4.735 4.321 1.732 1.00 71.42 H new ATOM 0 HA PHE A 64 3.852 5.310 4.252 1.00 11.32 H new ATOM 0 HB2 PHE A 64 5.903 3.523 3.153 1.00 40.51 H new ATOM 0 HB3 PHE A 64 6.520 4.476 4.488 1.00 40.51 H new ATOM 0 HD1 PHE A 64 5.143 4.484 6.674 1.00 31.43 H new ATOM 0 HD2 PHE A 64 4.573 1.633 3.561 1.00 14.24 H new ATOM 0 HE1 PHE A 64 4.049 2.966 8.266 1.00 54.12 H new ATOM 0 HE2 PHE A 64 3.474 0.115 5.149 1.00 31.53 H new ATOM 0 HZ PHE A 64 3.205 0.781 7.505 1.00 64.44 H new ATOM 1013 N VAL A 65 5.134 7.368 4.741 1.00 44.04 N ATOM 1014 CA VAL A 65 5.794 8.646 4.982 1.00 71.22 C ATOM 1015 C VAL A 65 7.279 8.452 5.269 1.00 15.42 C ATOM 1016 O VAL A 65 8.084 9.363 5.075 1.00 60.13 O ATOM 1017 CB VAL A 65 5.148 9.397 6.161 1.00 54.33 C ATOM 1018 CG1 VAL A 65 5.956 10.637 6.512 1.00 64.31 C ATOM 1019 CG2 VAL A 65 3.708 9.765 5.833 1.00 44.12 C ATOM 0 H VAL A 65 4.384 7.150 5.397 1.00 44.04 H new ATOM 0 HA VAL A 65 5.677 9.239 4.075 1.00 71.22 H new ATOM 0 HB VAL A 65 5.143 8.738 7.029 1.00 54.33 H new ATOM 0 HG11 VAL A 65 5.484 11.154 7.347 1.00 64.31 H new ATOM 0 HG12 VAL A 65 6.968 10.345 6.792 1.00 64.31 H new ATOM 0 HG13 VAL A 65 5.996 11.302 5.649 1.00 64.31 H new ATOM 0 HG21 VAL A 65 3.267 10.295 6.677 1.00 44.12 H new ATOM 0 HG22 VAL A 65 3.688 10.406 4.951 1.00 44.12 H new ATOM 0 HG23 VAL A 65 3.137 8.858 5.635 1.00 44.12 H new ATOM 1029 N LYS A 66 7.635 7.260 5.733 1.00 20.54 N ATOM 1030 CA LYS A 66 9.024 6.944 6.047 1.00 74.32 C ATOM 1031 C LYS A 66 9.454 5.649 5.365 1.00 44.22 C ATOM 1032 O LYS A 66 8.704 5.069 4.580 1.00 34.34 O ATOM 1033 CB LYS A 66 9.211 6.822 7.561 1.00 63.13 C ATOM 1034 CG LYS A 66 8.155 5.966 8.238 1.00 71.13 C ATOM 1035 CD LYS A 66 7.020 6.813 8.788 1.00 75.20 C ATOM 1036 CE LYS A 66 7.275 7.217 10.232 1.00 50.12 C ATOM 1037 NZ LYS A 66 6.496 8.427 10.615 1.00 32.12 N ATOM 0 H LYS A 66 6.981 6.496 5.900 1.00 20.54 H new ATOM 0 HA LYS A 66 9.649 7.756 5.674 1.00 74.32 H new ATOM 0 HB2 LYS A 66 10.195 6.399 7.764 1.00 63.13 H new ATOM 0 HB3 LYS A 66 9.196 7.819 8.002 1.00 63.13 H new ATOM 0 HG2 LYS A 66 7.759 5.244 7.525 1.00 71.13 H new ATOM 0 HG3 LYS A 66 8.611 5.397 9.048 1.00 71.13 H new ATOM 0 HD2 LYS A 66 6.901 7.706 8.175 1.00 75.20 H new ATOM 0 HD3 LYS A 66 6.085 6.256 8.725 1.00 75.20 H new ATOM 0 HE2 LYS A 66 7.011 6.391 10.892 1.00 50.12 H new ATOM 0 HE3 LYS A 66 8.338 7.410 10.373 1.00 50.12 H new ATOM 0 HZ1 LYS A 66 6.697 8.670 11.606 1.00 32.12 H new ATOM 0 HZ2 LYS A 66 6.766 9.222 10.002 1.00 32.12 H new ATOM 0 HZ3 LYS A 66 5.480 8.235 10.505 1.00 32.12 H new ATOM 1051 N LYS A 67 10.667 5.201 5.669 1.00 24.55 N ATOM 1052 CA LYS A 67 11.198 3.973 5.089 1.00 71.15 C ATOM 1053 C LYS A 67 10.772 2.756 5.904 1.00 14.51 C ATOM 1054 O LYS A 67 11.017 2.689 7.108 1.00 13.22 O ATOM 1055 CB LYS A 67 12.725 4.039 5.012 1.00 51.12 C ATOM 1056 CG LYS A 67 13.251 4.353 3.622 1.00 50.40 C ATOM 1057 CD LYS A 67 13.359 5.851 3.392 1.00 4.54 C ATOM 1058 CE LYS A 67 14.805 6.282 3.198 1.00 2.43 C ATOM 1059 NZ LYS A 67 14.908 7.535 2.400 1.00 41.04 N ATOM 0 H LYS A 67 11.302 5.671 6.315 1.00 24.55 H new ATOM 0 HA LYS A 67 10.793 3.873 4.082 1.00 71.15 H new ATOM 0 HB2 LYS A 67 13.083 4.799 5.707 1.00 51.12 H new ATOM 0 HB3 LYS A 67 13.139 3.086 5.341 1.00 51.12 H new ATOM 0 HG2 LYS A 67 14.230 3.892 3.490 1.00 50.40 H new ATOM 0 HG3 LYS A 67 12.589 3.916 2.874 1.00 50.40 H new ATOM 0 HD2 LYS A 67 12.775 6.129 2.515 1.00 4.54 H new ATOM 0 HD3 LYS A 67 12.931 6.383 4.242 1.00 4.54 H new ATOM 0 HE2 LYS A 67 15.273 6.432 4.171 1.00 2.43 H new ATOM 0 HE3 LYS A 67 15.357 5.486 2.698 1.00 2.43 H new ATOM 0 HZ1 LYS A 67 15.909 7.795 2.290 1.00 41.04 H new ATOM 0 HZ2 LYS A 67 14.484 7.385 1.462 1.00 41.04 H new ATOM 0 HZ3 LYS A 67 14.403 8.301 2.890 1.00 41.04 H new ATOM 1073 N GLN A 68 10.134 1.798 5.240 1.00 63.13 N ATOM 1074 CA GLN A 68 9.675 0.584 5.904 1.00 23.12 C ATOM 1075 C GLN A 68 10.007 -0.651 5.072 1.00 0.44 C ATOM 1076 O GLN A 68 10.072 -0.587 3.844 1.00 14.42 O ATOM 1077 CB GLN A 68 8.168 0.654 6.156 1.00 22.22 C ATOM 1078 CG GLN A 68 7.744 1.860 6.978 1.00 1.13 C ATOM 1079 CD GLN A 68 8.299 1.829 8.389 1.00 40.32 C ATOM 1080 OE1 GLN A 68 8.988 0.885 8.777 1.00 40.43 O ATOM 1081 NE2 GLN A 68 8.001 2.865 9.165 1.00 23.31 N ATOM 0 H GLN A 68 9.923 1.839 4.243 1.00 63.13 H new ATOM 0 HA GLN A 68 10.193 0.505 6.860 1.00 23.12 H new ATOM 0 HB2 GLN A 68 7.649 0.677 5.198 1.00 22.22 H new ATOM 0 HB3 GLN A 68 7.851 -0.254 6.669 1.00 22.22 H new ATOM 0 HG2 GLN A 68 8.078 2.770 6.480 1.00 1.13 H new ATOM 0 HG3 GLN A 68 6.656 1.901 7.021 1.00 1.13 H new ATOM 0 HE21 GLN A 68 7.427 3.626 8.802 1.00 23.31 H new ATOM 0 HE22 GLN A 68 8.347 2.900 10.124 1.00 23.31 H new ATOM 1090 N THR A 69 10.217 -1.775 5.749 1.00 24.44 N ATOM 1091 CA THR A 69 10.544 -3.025 5.073 1.00 1.54 C ATOM 1092 C THR A 69 9.287 -3.835 4.778 1.00 41.44 C ATOM 1093 O THR A 69 8.201 -3.511 5.258 1.00 33.42 O ATOM 1094 CB THR A 69 11.508 -3.883 5.914 1.00 2.31 C ATOM 1095 OG1 THR A 69 10.809 -4.465 7.020 1.00 52.41 O ATOM 1096 CG2 THR A 69 12.671 -3.046 6.426 1.00 32.04 C ATOM 0 H THR A 69 10.167 -1.846 6.765 1.00 24.44 H new ATOM 0 HA THR A 69 11.031 -2.759 4.135 1.00 1.54 H new ATOM 0 HB THR A 69 11.903 -4.675 5.278 1.00 2.31 H new ATOM 0 HG1 THR A 69 11.429 -5.010 7.548 1.00 52.41 H new ATOM 0 HG21 THR A 69 13.338 -3.673 7.017 1.00 32.04 H new ATOM 0 HG22 THR A 69 13.219 -2.629 5.581 1.00 32.04 H new ATOM 0 HG23 THR A 69 12.290 -2.235 7.047 1.00 32.04 H new ATOM 1104 N PHE A 70 9.442 -4.890 3.984 1.00 13.53 N ATOM 1105 CA PHE A 70 8.318 -5.746 3.624 1.00 21.52 C ATOM 1106 C PHE A 70 7.713 -6.399 4.864 1.00 54.15 C ATOM 1107 O PHE A 70 6.511 -6.297 5.107 1.00 21.02 O ATOM 1108 CB PHE A 70 8.768 -6.824 2.635 1.00 55.31 C ATOM 1109 CG PHE A 70 7.789 -7.954 2.494 1.00 31.45 C ATOM 1110 CD1 PHE A 70 6.498 -7.720 2.050 1.00 12.40 C ATOM 1111 CD2 PHE A 70 8.160 -9.252 2.807 1.00 30.25 C ATOM 1112 CE1 PHE A 70 5.595 -8.758 1.919 1.00 13.23 C ATOM 1113 CE2 PHE A 70 7.262 -10.294 2.678 1.00 35.44 C ATOM 1114 CZ PHE A 70 5.977 -10.047 2.235 1.00 40.11 C ATOM 0 H PHE A 70 10.334 -5.172 3.578 1.00 13.53 H new ATOM 0 HA PHE A 70 7.556 -5.125 3.153 1.00 21.52 H new ATOM 0 HB2 PHE A 70 8.926 -6.367 1.658 1.00 55.31 H new ATOM 0 HB3 PHE A 70 9.729 -7.224 2.959 1.00 55.31 H new ATOM 0 HD1 PHE A 70 6.193 -6.714 1.803 1.00 12.40 H new ATOM 0 HD2 PHE A 70 9.163 -9.451 3.156 1.00 30.25 H new ATOM 0 HE1 PHE A 70 4.592 -8.561 1.570 1.00 13.23 H new ATOM 0 HE2 PHE A 70 7.565 -11.301 2.923 1.00 35.44 H new ATOM 0 HZ PHE A 70 5.273 -10.860 2.136 1.00 40.11 H new ATOM 1124 N ASN A 71 8.555 -7.070 5.643 1.00 54.21 N ATOM 1125 CA ASN A 71 8.103 -7.740 6.857 1.00 61.42 C ATOM 1126 C ASN A 71 7.525 -6.737 7.850 1.00 53.23 C ATOM 1127 O ASN A 71 6.514 -7.003 8.501 1.00 5.33 O ATOM 1128 CB ASN A 71 9.261 -8.505 7.503 1.00 54.43 C ATOM 1129 CG ASN A 71 8.801 -9.775 8.192 1.00 64.00 C ATOM 1130 OD1 ASN A 71 8.641 -9.809 9.412 1.00 24.32 O ATOM 1131 ND2 ASN A 71 8.587 -10.827 7.411 1.00 63.50 N ATOM 0 H ASN A 71 9.553 -7.164 5.456 1.00 54.21 H new ATOM 0 HA ASN A 71 7.318 -8.445 6.582 1.00 61.42 H new ATOM 0 HB2 ASN A 71 9.998 -8.755 6.740 1.00 54.43 H new ATOM 0 HB3 ASN A 71 9.759 -7.861 8.228 1.00 54.43 H new ATOM 0 HD21 ASN A 71 8.277 -11.709 7.818 1.00 63.50 H new ATOM 0 HD22 ASN A 71 8.733 -10.753 6.404 1.00 63.50 H new ATOM 1138 N LYS A 72 8.172 -5.582 7.960 1.00 52.44 N ATOM 1139 CA LYS A 72 7.722 -4.536 8.871 1.00 43.11 C ATOM 1140 C LYS A 72 6.365 -3.988 8.443 1.00 54.00 C ATOM 1141 O LYS A 72 5.439 -3.895 9.250 1.00 62.14 O ATOM 1142 CB LYS A 72 8.748 -3.402 8.924 1.00 2.51 C ATOM 1143 CG LYS A 72 8.256 -2.170 9.665 1.00 32.40 C ATOM 1144 CD LYS A 72 7.801 -2.512 11.074 1.00 74.42 C ATOM 1145 CE LYS A 72 7.278 -1.285 11.804 1.00 55.21 C ATOM 1146 NZ LYS A 72 8.343 -0.618 12.602 1.00 23.33 N ATOM 0 H LYS A 72 9.010 -5.346 7.429 1.00 52.44 H new ATOM 0 HA LYS A 72 7.620 -4.973 9.864 1.00 43.11 H new ATOM 0 HB2 LYS A 72 9.656 -3.767 9.405 1.00 2.51 H new ATOM 0 HB3 LYS A 72 9.018 -3.120 7.906 1.00 2.51 H new ATOM 0 HG2 LYS A 72 9.053 -1.428 9.709 1.00 32.40 H new ATOM 0 HG3 LYS A 72 7.431 -1.719 9.115 1.00 32.40 H new ATOM 0 HD2 LYS A 72 7.020 -3.271 11.031 1.00 74.42 H new ATOM 0 HD3 LYS A 72 8.633 -2.941 11.632 1.00 74.42 H new ATOM 0 HE2 LYS A 72 6.870 -0.579 11.081 1.00 55.21 H new ATOM 0 HE3 LYS A 72 6.459 -1.576 12.462 1.00 55.21 H new ATOM 0 HZ1 LYS A 72 7.946 0.214 13.084 1.00 23.33 H new ATOM 0 HZ2 LYS A 72 8.715 -1.284 13.309 1.00 23.33 H new ATOM 0 HZ3 LYS A 72 9.113 -0.317 11.971 1.00 23.33 H new ATOM 1160 N VAL A 73 6.252 -3.627 7.168 1.00 31.55 N ATOM 1161 CA VAL A 73 5.006 -3.091 6.633 1.00 64.31 C ATOM 1162 C VAL A 73 3.841 -4.037 6.901 1.00 12.31 C ATOM 1163 O VAL A 73 2.685 -3.615 6.960 1.00 65.35 O ATOM 1164 CB VAL A 73 5.110 -2.839 5.117 1.00 11.30 C ATOM 1165 CG1 VAL A 73 3.738 -2.543 4.530 1.00 42.11 C ATOM 1166 CG2 VAL A 73 6.078 -1.700 4.832 1.00 72.41 C ATOM 0 H VAL A 73 7.008 -3.696 6.487 1.00 31.55 H new ATOM 0 HA VAL A 73 4.825 -2.143 7.140 1.00 64.31 H new ATOM 0 HB VAL A 73 5.496 -3.741 4.641 1.00 11.30 H new ATOM 0 HG11 VAL A 73 3.831 -2.368 3.458 1.00 42.11 H new ATOM 0 HG12 VAL A 73 3.077 -3.393 4.703 1.00 42.11 H new ATOM 0 HG13 VAL A 73 3.321 -1.656 5.008 1.00 42.11 H new ATOM 0 HG21 VAL A 73 6.140 -1.535 3.756 1.00 72.41 H new ATOM 0 HG22 VAL A 73 5.724 -0.791 5.319 1.00 72.41 H new ATOM 0 HG23 VAL A 73 7.065 -1.956 5.217 1.00 72.41 H new ATOM 1176 N LYS A 74 4.151 -5.318 7.064 1.00 23.32 N ATOM 1177 CA LYS A 74 3.131 -6.326 7.328 1.00 12.33 C ATOM 1178 C LYS A 74 2.459 -6.079 8.675 1.00 14.02 C ATOM 1179 O LYS A 74 1.426 -6.675 8.982 1.00 1.12 O ATOM 1180 CB LYS A 74 3.748 -7.726 7.303 1.00 3.34 C ATOM 1181 CG LYS A 74 4.398 -8.080 5.977 1.00 31.40 C ATOM 1182 CD LYS A 74 3.979 -9.462 5.503 1.00 53.34 C ATOM 1183 CE LYS A 74 2.782 -9.390 4.567 1.00 71.25 C ATOM 1184 NZ LYS A 74 2.508 -10.701 3.915 1.00 31.13 N ATOM 0 H LYS A 74 5.102 -5.684 7.018 1.00 23.32 H new ATOM 0 HA LYS A 74 2.375 -6.256 6.546 1.00 12.33 H new ATOM 0 HB2 LYS A 74 4.494 -7.800 8.095 1.00 3.34 H new ATOM 0 HB3 LYS A 74 2.973 -8.460 7.526 1.00 3.34 H new ATOM 0 HG2 LYS A 74 4.124 -7.338 5.227 1.00 31.40 H new ATOM 0 HG3 LYS A 74 5.482 -8.043 6.081 1.00 31.40 H new ATOM 0 HD2 LYS A 74 4.814 -9.941 4.992 1.00 53.34 H new ATOM 0 HD3 LYS A 74 3.733 -10.084 6.364 1.00 53.34 H new ATOM 0 HE2 LYS A 74 1.902 -9.072 5.126 1.00 71.25 H new ATOM 0 HE3 LYS A 74 2.964 -8.635 3.802 1.00 71.25 H new ATOM 0 HZ1 LYS A 74 1.602 -10.653 3.407 1.00 31.13 H new ATOM 0 HZ2 LYS A 74 3.271 -10.921 3.243 1.00 31.13 H new ATOM 0 HZ3 LYS A 74 2.460 -11.446 4.639 1.00 31.13 H new ATOM 1198 N TRP A 75 3.049 -5.197 9.473 1.00 25.11 N ATOM 1199 CA TRP A 75 2.506 -4.871 10.787 1.00 60.02 C ATOM 1200 C TRP A 75 1.193 -4.106 10.658 1.00 22.33 C ATOM 1201 O TRP A 75 0.401 -4.052 11.599 1.00 1.33 O ATOM 1202 CB TRP A 75 3.515 -4.046 11.588 1.00 35.42 C ATOM 1203 CG TRP A 75 3.549 -2.601 11.192 1.00 62.45 C ATOM 1204 CD1 TRP A 75 3.473 -2.097 9.925 1.00 63.45 C ATOM 1205 CD2 TRP A 75 3.671 -1.475 12.067 1.00 35.10 C ATOM 1206 NE1 TRP A 75 3.540 -0.725 9.960 1.00 62.43 N ATOM 1207 CE2 TRP A 75 3.661 -0.319 11.262 1.00 15.02 C ATOM 1208 CE3 TRP A 75 3.785 -1.330 13.452 1.00 35.42 C ATOM 1209 CZ2 TRP A 75 3.762 0.962 11.799 1.00 75.13 C ATOM 1210 CZ3 TRP A 75 3.885 -0.058 13.983 1.00 20.50 C ATOM 1211 CH2 TRP A 75 3.872 1.074 13.158 1.00 42.10 C ATOM 0 H TRP A 75 3.904 -4.694 9.233 1.00 25.11 H new ATOM 0 HA TRP A 75 2.311 -5.805 11.314 1.00 60.02 H new ATOM 0 HB2 TRP A 75 3.273 -4.119 12.648 1.00 35.42 H new ATOM 0 HB3 TRP A 75 4.509 -4.474 11.458 1.00 35.42 H new ATOM 0 HD1 TRP A 75 3.375 -2.690 9.028 1.00 63.45 H new ATOM 0 HE1 TRP A 75 3.505 -0.109 9.148 1.00 62.43 H new ATOM 0 HE3 TRP A 75 3.795 -2.197 14.096 1.00 35.42 H new ATOM 0 HZ2 TRP A 75 3.754 1.836 11.165 1.00 75.13 H new ATOM 0 HZ3 TRP A 75 3.975 0.065 15.052 1.00 20.50 H new ATOM 0 HH2 TRP A 75 3.950 2.055 13.604 1.00 42.10 H new ATOM 1222 N TYR A 76 0.969 -3.518 9.489 1.00 54.41 N ATOM 1223 CA TYR A 76 -0.248 -2.754 9.239 1.00 50.02 C ATOM 1224 C TYR A 76 -1.123 -3.448 8.199 1.00 21.14 C ATOM 1225 O TYR A 76 -2.319 -3.651 8.413 1.00 51.34 O ATOM 1226 CB TYR A 76 0.099 -1.341 8.768 1.00 45.14 C ATOM 1227 CG TYR A 76 -0.048 -0.290 9.845 1.00 52.05 C ATOM 1228 CD1 TYR A 76 -1.131 -0.306 10.715 1.00 23.22 C ATOM 1229 CD2 TYR A 76 0.896 0.719 9.992 1.00 71.01 C ATOM 1230 CE1 TYR A 76 -1.270 0.652 11.700 1.00 42.41 C ATOM 1231 CE2 TYR A 76 0.766 1.681 10.975 1.00 73.01 C ATOM 1232 CZ TYR A 76 -0.319 1.644 11.826 1.00 71.20 C ATOM 1233 OH TYR A 76 -0.453 2.600 12.807 1.00 74.34 O ATOM 0 H TYR A 76 1.614 -3.555 8.699 1.00 54.41 H new ATOM 0 HA TYR A 76 -0.805 -2.692 10.174 1.00 50.02 H new ATOM 0 HB2 TYR A 76 1.125 -1.331 8.401 1.00 45.14 H new ATOM 0 HB3 TYR A 76 -0.543 -1.080 7.927 1.00 45.14 H new ATOM 0 HD1 TYR A 76 -1.877 -1.081 10.619 1.00 23.22 H new ATOM 0 HD2 TYR A 76 1.746 0.752 9.326 1.00 71.01 H new ATOM 0 HE1 TYR A 76 -2.118 0.625 12.368 1.00 42.41 H new ATOM 0 HE2 TYR A 76 1.510 2.458 11.077 1.00 73.01 H new ATOM 0 HH TYR A 76 0.434 2.905 13.090 1.00 74.34 H new ATOM 1243 N LEU A 77 -0.518 -3.811 7.074 1.00 63.10 N ATOM 1244 CA LEU A 77 -1.240 -4.484 6.000 1.00 43.24 C ATOM 1245 C LEU A 77 -1.555 -5.928 6.376 1.00 24.01 C ATOM 1246 O LEU A 77 -2.339 -6.598 5.706 1.00 61.21 O ATOM 1247 CB LEU A 77 -0.421 -4.448 4.708 1.00 21.40 C ATOM 1248 CG LEU A 77 -0.184 -3.065 4.101 1.00 0.03 C ATOM 1249 CD1 LEU A 77 0.637 -3.175 2.826 1.00 4.01 C ATOM 1250 CD2 LEU A 77 -1.509 -2.369 3.826 1.00 31.30 C ATOM 0 H LEU A 77 0.471 -3.651 6.882 1.00 63.10 H new ATOM 0 HA LEU A 77 -2.181 -3.956 5.842 1.00 43.24 H new ATOM 0 HB2 LEU A 77 0.548 -4.908 4.903 1.00 21.40 H new ATOM 0 HB3 LEU A 77 -0.924 -5.067 3.965 1.00 21.40 H new ATOM 0 HG LEU A 77 0.376 -2.466 4.819 1.00 0.03 H new ATOM 0 HD11 LEU A 77 0.795 -2.181 2.408 1.00 4.01 H new ATOM 0 HD12 LEU A 77 1.601 -3.631 3.052 1.00 4.01 H new ATOM 0 HD13 LEU A 77 0.104 -3.792 2.102 1.00 4.01 H new ATOM 0 HD21 LEU A 77 -1.321 -1.386 3.394 1.00 31.30 H new ATOM 0 HD22 LEU A 77 -2.095 -2.966 3.128 1.00 31.30 H new ATOM 0 HD23 LEU A 77 -2.061 -2.256 4.759 1.00 31.30 H new ATOM 1262 N GLY A 78 -0.938 -6.401 7.455 1.00 13.13 N ATOM 1263 CA GLY A 78 -1.167 -7.762 7.904 1.00 53.12 C ATOM 1264 C GLY A 78 -0.601 -8.791 6.946 1.00 74.15 C ATOM 1265 O GLY A 78 -0.438 -8.518 5.757 1.00 71.43 O ATOM 0 H GLY A 78 -0.284 -5.866 8.026 1.00 13.13 H new ATOM 0 HA2 GLY A 78 -0.716 -7.898 8.887 1.00 53.12 H new ATOM 0 HA3 GLY A 78 -2.238 -7.928 8.019 1.00 53.12 H new ATOM 1269 N ALA A 79 -0.300 -9.977 7.464 1.00 63.11 N ATOM 1270 CA ALA A 79 0.251 -11.050 6.646 1.00 61.50 C ATOM 1271 C ALA A 79 -0.827 -11.684 5.773 1.00 30.13 C ATOM 1272 O ALA A 79 -0.543 -12.188 4.686 1.00 4.35 O ATOM 1273 CB ALA A 79 0.905 -12.104 7.528 1.00 43.40 C ATOM 0 H ALA A 79 -0.428 -10.219 8.447 1.00 63.11 H new ATOM 0 HA ALA A 79 1.008 -10.620 5.990 1.00 61.50 H new ATOM 0 HB1 ALA A 79 1.312 -12.899 6.904 1.00 43.40 H new ATOM 0 HB2 ALA A 79 1.709 -11.648 8.105 1.00 43.40 H new ATOM 0 HB3 ALA A 79 0.162 -12.521 8.208 1.00 43.40 H new ATOM 1279 N ARG A 80 -2.065 -11.656 6.256 1.00 22.34 N ATOM 1280 CA ARG A 80 -3.185 -12.230 5.521 1.00 52.13 C ATOM 1281 C ARG A 80 -3.250 -11.667 4.104 1.00 72.43 C ATOM 1282 O ARG A 80 -3.665 -12.356 3.170 1.00 13.45 O ATOM 1283 CB ARG A 80 -4.499 -11.951 6.252 1.00 35.43 C ATOM 1284 CG ARG A 80 -4.674 -10.497 6.660 1.00 64.55 C ATOM 1285 CD ARG A 80 -4.556 -10.323 8.166 1.00 44.25 C ATOM 1286 NE ARG A 80 -5.551 -11.111 8.888 1.00 40.24 N ATOM 1287 CZ ARG A 80 -5.592 -11.208 10.212 1.00 64.23 C ATOM 1288 NH1 ARG A 80 -4.698 -10.570 10.954 1.00 23.14 N ATOM 1289 NH2 ARG A 80 -6.528 -11.945 10.796 1.00 53.34 N ATOM 0 H ARG A 80 -2.317 -11.242 7.153 1.00 22.34 H new ATOM 0 HA ARG A 80 -3.033 -13.308 5.460 1.00 52.13 H new ATOM 0 HB2 ARG A 80 -5.331 -12.242 5.610 1.00 35.43 H new ATOM 0 HB3 ARG A 80 -4.549 -12.578 7.142 1.00 35.43 H new ATOM 0 HG2 ARG A 80 -3.922 -9.885 6.162 1.00 64.55 H new ATOM 0 HG3 ARG A 80 -5.648 -10.139 6.326 1.00 64.55 H new ATOM 0 HD2 ARG A 80 -3.557 -10.618 8.488 1.00 44.25 H new ATOM 0 HD3 ARG A 80 -4.674 -9.270 8.420 1.00 44.25 H new ATOM 0 HE ARG A 80 -6.253 -11.615 8.346 1.00 40.24 H new ATOM 0 HH11 ARG A 80 -3.977 -10.003 10.508 1.00 23.14 H new ATOM 0 HH12 ARG A 80 -4.731 -10.646 11.971 1.00 23.14 H new ATOM 0 HH21 ARG A 80 -7.217 -12.438 10.228 1.00 53.34 H new ATOM 0 HH22 ARG A 80 -6.558 -12.019 11.813 1.00 53.34 H new ATOM 1303 N CYS A 81 -2.838 -10.414 3.951 1.00 15.22 N ATOM 1304 CA CYS A 81 -2.851 -9.758 2.648 1.00 12.03 C ATOM 1305 C CYS A 81 -1.452 -9.726 2.042 1.00 30.10 C ATOM 1306 O CYS A 81 -0.463 -9.523 2.747 1.00 21.10 O ATOM 1307 CB CYS A 81 -3.398 -8.335 2.776 1.00 64.34 C ATOM 1308 SG CYS A 81 -3.305 -7.370 1.250 1.00 52.33 S ATOM 0 H CYS A 81 -2.491 -9.831 4.713 1.00 15.22 H new ATOM 0 HA CYS A 81 -3.501 -10.331 1.986 1.00 12.03 H new ATOM 0 HB2 CYS A 81 -4.438 -8.384 3.099 1.00 64.34 H new ATOM 0 HB3 CYS A 81 -2.845 -7.813 3.558 1.00 64.34 H new ATOM 0 HG CYS A 81 -4.142 -6.377 1.313 1.00 52.33 H new ATOM 1314 N HIS A 82 -1.376 -9.930 0.731 1.00 51.44 N ATOM 1315 CA HIS A 82 -0.097 -9.925 0.029 1.00 34.20 C ATOM 1316 C HIS A 82 0.353 -8.499 -0.270 1.00 43.42 C ATOM 1317 O HIS A 82 -0.440 -7.667 -0.714 1.00 23.34 O ATOM 1318 CB HIS A 82 -0.202 -10.723 -1.271 1.00 54.43 C ATOM 1319 CG HIS A 82 1.126 -11.102 -1.850 1.00 31.41 C ATOM 1320 ND1 HIS A 82 1.924 -12.092 -1.316 1.00 71.35 N ATOM 1321 CD2 HIS A 82 1.794 -10.620 -2.923 1.00 44.15 C ATOM 1322 CE1 HIS A 82 3.027 -12.201 -2.036 1.00 33.13 C ATOM 1323 NE2 HIS A 82 2.973 -11.319 -3.017 1.00 74.03 N ATOM 0 H HIS A 82 -2.185 -10.101 0.133 1.00 51.44 H new ATOM 0 HA HIS A 82 0.646 -10.393 0.675 1.00 34.20 H new ATOM 0 HB2 HIS A 82 -0.780 -11.628 -1.086 1.00 54.43 H new ATOM 0 HB3 HIS A 82 -0.755 -10.136 -2.004 1.00 54.43 H new ATOM 0 HD2 HIS A 82 1.462 -9.832 -3.583 1.00 44.15 H new ATOM 0 HE1 HIS A 82 3.835 -12.894 -1.853 1.00 33.13 H new ATOM 0 HE2 HIS A 82 3.690 -11.179 -3.729 1.00 74.03 H new ATOM 1331 N ILE A 83 1.630 -8.223 -0.024 1.00 55.43 N ATOM 1332 CA ILE A 83 2.185 -6.897 -0.268 1.00 15.01 C ATOM 1333 C ILE A 83 3.196 -6.926 -1.409 1.00 2.35 C ATOM 1334 O ILE A 83 4.015 -7.840 -1.502 1.00 12.43 O ATOM 1335 CB ILE A 83 2.865 -6.331 0.993 1.00 71.24 C ATOM 1336 CG1 ILE A 83 2.039 -6.664 2.237 1.00 2.41 C ATOM 1337 CG2 ILE A 83 3.055 -4.827 0.862 1.00 33.43 C ATOM 1338 CD1 ILE A 83 2.624 -6.107 3.516 1.00 14.24 C ATOM 0 H ILE A 83 2.299 -8.899 0.344 1.00 55.43 H new ATOM 0 HA ILE A 83 1.351 -6.251 -0.542 1.00 15.01 H new ATOM 0 HB ILE A 83 3.847 -6.793 1.098 1.00 71.24 H new ATOM 0 HG12 ILE A 83 1.029 -6.274 2.108 1.00 2.41 H new ATOM 0 HG13 ILE A 83 1.953 -7.747 2.327 1.00 2.41 H new ATOM 0 HG21 ILE A 83 3.537 -4.441 1.761 1.00 33.43 H new ATOM 0 HG22 ILE A 83 3.680 -4.613 -0.005 1.00 33.43 H new ATOM 0 HG23 ILE A 83 2.084 -4.347 0.736 1.00 33.43 H new ATOM 0 HD11 ILE A 83 1.987 -6.381 4.357 1.00 14.24 H new ATOM 0 HD12 ILE A 83 3.623 -6.517 3.668 1.00 14.24 H new ATOM 0 HD13 ILE A 83 2.684 -5.021 3.446 1.00 14.24 H new ATOM 1350 N GLU A 84 3.134 -5.918 -2.273 1.00 1.40 N ATOM 1351 CA GLU A 84 4.046 -5.828 -3.407 1.00 41.52 C ATOM 1352 C GLU A 84 4.672 -4.438 -3.493 1.00 71.40 C ATOM 1353 O GLU A 84 4.201 -3.492 -2.862 1.00 33.22 O ATOM 1354 CB GLU A 84 3.309 -6.148 -4.709 1.00 64.43 C ATOM 1355 CG GLU A 84 3.868 -7.356 -5.443 1.00 33.22 C ATOM 1356 CD GLU A 84 3.062 -7.713 -6.677 1.00 1.10 C ATOM 1357 OE1 GLU A 84 2.091 -6.990 -6.982 1.00 11.22 O ATOM 1358 OE2 GLU A 84 3.404 -8.716 -7.338 1.00 51.12 O ATOM 0 H GLU A 84 2.462 -5.153 -2.209 1.00 1.40 H new ATOM 0 HA GLU A 84 4.842 -6.558 -3.259 1.00 41.52 H new ATOM 0 HB2 GLU A 84 2.256 -6.323 -4.487 1.00 64.43 H new ATOM 0 HB3 GLU A 84 3.356 -5.280 -5.366 1.00 64.43 H new ATOM 0 HG2 GLU A 84 4.899 -7.155 -5.733 1.00 33.22 H new ATOM 0 HG3 GLU A 84 3.888 -8.211 -4.767 1.00 33.22 H new ATOM 1365 N LYS A 85 5.737 -4.324 -4.278 1.00 45.44 N ATOM 1366 CA LYS A 85 6.429 -3.052 -4.449 1.00 43.51 C ATOM 1367 C LYS A 85 5.778 -2.221 -5.550 1.00 72.35 C ATOM 1368 O LYS A 85 5.499 -2.725 -6.638 1.00 21.30 O ATOM 1369 CB LYS A 85 7.904 -3.290 -4.780 1.00 62.15 C ATOM 1370 CG LYS A 85 8.661 -4.026 -3.689 1.00 25.31 C ATOM 1371 CD LYS A 85 10.122 -3.608 -3.644 1.00 34.21 C ATOM 1372 CE LYS A 85 10.914 -4.227 -4.785 1.00 60.22 C ATOM 1373 NZ LYS A 85 11.528 -5.526 -4.393 1.00 42.05 N ATOM 0 H LYS A 85 6.140 -5.098 -4.806 1.00 45.44 H new ATOM 0 HA LYS A 85 6.358 -2.500 -3.512 1.00 43.51 H new ATOM 0 HB2 LYS A 85 7.972 -3.861 -5.706 1.00 62.15 H new ATOM 0 HB3 LYS A 85 8.387 -2.330 -4.961 1.00 62.15 H new ATOM 0 HG2 LYS A 85 8.195 -3.827 -2.724 1.00 25.31 H new ATOM 0 HG3 LYS A 85 8.594 -5.100 -3.860 1.00 25.31 H new ATOM 0 HD2 LYS A 85 10.193 -2.522 -3.698 1.00 34.21 H new ATOM 0 HD3 LYS A 85 10.558 -3.909 -2.692 1.00 34.21 H new ATOM 0 HE2 LYS A 85 10.258 -4.379 -5.642 1.00 60.22 H new ATOM 0 HE3 LYS A 85 11.696 -3.536 -5.101 1.00 60.22 H new ATOM 0 HZ1 LYS A 85 12.059 -5.916 -5.198 1.00 42.05 H new ATOM 0 HZ2 LYS A 85 12.174 -5.377 -3.592 1.00 42.05 H new ATOM 0 HZ3 LYS A 85 10.780 -6.194 -4.116 1.00 42.05 H new ATOM 1387 N ALA A 86 5.539 -0.946 -5.261 1.00 60.34 N ATOM 1388 CA ALA A 86 4.924 -0.046 -6.229 1.00 12.03 C ATOM 1389 C ALA A 86 5.981 0.677 -7.056 1.00 65.41 C ATOM 1390 O ALA A 86 7.107 0.882 -6.601 1.00 50.53 O ATOM 1391 CB ALA A 86 4.029 0.959 -5.519 1.00 54.01 C ATOM 0 H ALA A 86 5.762 -0.513 -4.365 1.00 60.34 H new ATOM 0 HA ALA A 86 4.316 -0.643 -6.908 1.00 12.03 H new ATOM 0 HB1 ALA A 86 3.576 1.625 -6.253 1.00 54.01 H new ATOM 0 HB2 ALA A 86 3.245 0.429 -4.977 1.00 54.01 H new ATOM 0 HB3 ALA A 86 4.624 1.544 -4.817 1.00 54.01 H new ATOM 1397 N LYS A 87 5.613 1.059 -8.274 1.00 44.31 N ATOM 1398 CA LYS A 87 6.530 1.760 -9.166 1.00 72.31 C ATOM 1399 C LYS A 87 5.770 2.695 -10.102 1.00 21.33 C ATOM 1400 O LYS A 87 4.675 2.374 -10.560 1.00 75.03 O ATOM 1401 CB LYS A 87 7.346 0.756 -9.983 1.00 71.33 C ATOM 1402 CG LYS A 87 6.512 -0.050 -10.964 1.00 63.44 C ATOM 1403 CD LYS A 87 7.388 -0.818 -11.940 1.00 73.44 C ATOM 1404 CE LYS A 87 6.606 -1.916 -12.646 1.00 54.52 C ATOM 1405 NZ LYS A 87 7.240 -2.307 -13.935 1.00 72.34 N ATOM 0 H LYS A 87 4.686 0.895 -8.667 1.00 44.31 H new ATOM 0 HA LYS A 87 7.207 2.357 -8.555 1.00 72.31 H new ATOM 0 HB2 LYS A 87 8.121 1.291 -10.532 1.00 71.33 H new ATOM 0 HB3 LYS A 87 7.852 0.072 -9.302 1.00 71.33 H new ATOM 0 HG2 LYS A 87 5.877 -0.747 -10.417 1.00 63.44 H new ATOM 0 HG3 LYS A 87 5.850 0.618 -11.515 1.00 63.44 H new ATOM 0 HD2 LYS A 87 7.800 -0.131 -12.679 1.00 73.44 H new ATOM 0 HD3 LYS A 87 8.232 -1.256 -11.406 1.00 73.44 H new ATOM 0 HE2 LYS A 87 6.537 -2.788 -11.996 1.00 54.52 H new ATOM 0 HE3 LYS A 87 5.587 -1.575 -12.831 1.00 54.52 H new ATOM 0 HZ1 LYS A 87 6.677 -3.057 -14.385 1.00 72.34 H new ATOM 0 HZ2 LYS A 87 7.283 -1.481 -14.565 1.00 72.34 H new ATOM 0 HZ3 LYS A 87 8.203 -2.657 -13.756 1.00 72.34 H new ATOM 1419 N GLY A 88 6.361 3.853 -10.382 1.00 73.40 N ATOM 1420 CA GLY A 88 5.726 4.815 -11.263 1.00 15.21 C ATOM 1421 C GLY A 88 5.452 6.138 -10.575 1.00 71.01 C ATOM 1422 O GLY A 88 5.819 6.332 -9.416 1.00 20.03 O ATOM 0 H GLY A 88 7.268 4.141 -10.014 1.00 73.40 H new ATOM 0 HA2 GLY A 88 6.364 4.985 -12.130 1.00 15.21 H new ATOM 0 HA3 GLY A 88 4.788 4.400 -11.633 1.00 15.21 H new ATOM 1426 N THR A 89 4.806 7.053 -11.291 1.00 51.21 N ATOM 1427 CA THR A 89 4.486 8.366 -10.744 1.00 72.41 C ATOM 1428 C THR A 89 3.170 8.335 -9.974 1.00 64.45 C ATOM 1429 O THR A 89 2.472 7.321 -9.961 1.00 31.11 O ATOM 1430 CB THR A 89 4.393 9.429 -11.854 1.00 41.51 C ATOM 1431 OG1 THR A 89 3.185 9.252 -12.603 1.00 4.53 O ATOM 1432 CG2 THR A 89 5.591 9.344 -12.787 1.00 64.44 C ATOM 0 H THR A 89 4.494 6.909 -12.251 1.00 51.21 H new ATOM 0 HA THR A 89 5.296 8.631 -10.064 1.00 72.41 H new ATOM 0 HB THR A 89 4.388 10.413 -11.384 1.00 41.51 H new ATOM 0 HG1 THR A 89 3.133 9.933 -13.306 1.00 4.53 H new ATOM 0 HG21 THR A 89 5.503 10.105 -13.563 1.00 64.44 H new ATOM 0 HG22 THR A 89 6.507 9.509 -12.219 1.00 64.44 H new ATOM 0 HG23 THR A 89 5.623 8.357 -13.249 1.00 64.44 H new ATOM 1440 N ASP A 90 2.838 9.451 -9.336 1.00 31.24 N ATOM 1441 CA ASP A 90 1.604 9.552 -8.565 1.00 21.14 C ATOM 1442 C ASP A 90 0.396 9.186 -9.422 1.00 2.53 C ATOM 1443 O ASP A 90 -0.527 8.518 -8.957 1.00 3.44 O ATOM 1444 CB ASP A 90 1.440 10.967 -8.007 1.00 64.23 C ATOM 1445 CG ASP A 90 1.143 11.985 -9.091 1.00 32.24 C ATOM 1446 OD1 ASP A 90 2.068 12.321 -9.860 1.00 32.22 O ATOM 1447 OD2 ASP A 90 -0.015 12.445 -9.170 1.00 32.02 O ATOM 0 H ASP A 90 3.405 10.299 -9.337 1.00 31.24 H new ATOM 0 HA ASP A 90 1.665 8.848 -7.735 1.00 21.14 H new ATOM 0 HB2 ASP A 90 0.633 10.974 -7.274 1.00 64.23 H new ATOM 0 HB3 ASP A 90 2.350 11.255 -7.481 1.00 64.23 H new ATOM 1452 N GLN A 91 0.410 9.630 -10.674 1.00 51.34 N ATOM 1453 CA GLN A 91 -0.686 9.351 -11.595 1.00 44.03 C ATOM 1454 C GLN A 91 -0.720 7.873 -11.968 1.00 62.42 C ATOM 1455 O GLN A 91 -1.791 7.292 -12.141 1.00 21.21 O ATOM 1456 CB GLN A 91 -0.549 10.205 -12.857 1.00 71.53 C ATOM 1457 CG GLN A 91 -1.874 10.487 -13.547 1.00 11.22 C ATOM 1458 CD GLN A 91 -2.323 11.926 -13.381 1.00 31.31 C ATOM 1459 OE1 GLN A 91 -1.689 12.849 -13.893 1.00 32.12 O ATOM 1460 NE2 GLN A 91 -3.422 12.124 -12.663 1.00 33.13 N ATOM 0 H GLN A 91 1.167 10.184 -11.074 1.00 51.34 H new ATOM 0 HA GLN A 91 -1.621 9.602 -11.095 1.00 44.03 H new ATOM 0 HB2 GLN A 91 -0.076 11.152 -12.596 1.00 71.53 H new ATOM 0 HB3 GLN A 91 0.116 9.699 -13.558 1.00 71.53 H new ATOM 0 HG2 GLN A 91 -1.782 10.259 -14.609 1.00 11.22 H new ATOM 0 HG3 GLN A 91 -2.638 9.823 -13.143 1.00 11.22 H new ATOM 0 HE21 GLN A 91 -3.916 11.329 -12.257 1.00 33.13 H new ATOM 0 HE22 GLN A 91 -3.772 13.071 -12.517 1.00 33.13 H new ATOM 1469 N GLN A 92 0.459 7.271 -12.091 1.00 31.10 N ATOM 1470 CA GLN A 92 0.563 5.860 -12.445 1.00 13.23 C ATOM 1471 C GLN A 92 -0.072 4.982 -11.372 1.00 22.25 C ATOM 1472 O GLN A 92 -0.755 4.006 -11.679 1.00 11.03 O ATOM 1473 CB GLN A 92 2.028 5.468 -12.640 1.00 43.35 C ATOM 1474 CG GLN A 92 2.439 5.359 -14.100 1.00 2.10 C ATOM 1475 CD GLN A 92 3.310 4.148 -14.372 1.00 52.32 C ATOM 1476 OE1 GLN A 92 2.811 3.035 -14.535 1.00 72.54 O ATOM 1477 NE2 GLN A 92 4.620 4.360 -14.423 1.00 12.11 N ATOM 0 H GLN A 92 1.355 7.738 -11.951 1.00 31.10 H new ATOM 0 HA GLN A 92 0.026 5.705 -13.381 1.00 13.23 H new ATOM 0 HB2 GLN A 92 2.662 6.205 -12.147 1.00 43.35 H new ATOM 0 HB3 GLN A 92 2.208 4.512 -12.148 1.00 43.35 H new ATOM 0 HG2 GLN A 92 1.546 5.306 -14.722 1.00 2.10 H new ATOM 0 HG3 GLN A 92 2.977 6.261 -14.390 1.00 2.10 H new ATOM 0 HE21 GLN A 92 4.990 5.300 -14.282 1.00 12.11 H new ATOM 0 HE22 GLN A 92 5.256 3.583 -14.603 1.00 12.11 H new ATOM 1486 N ASN A 93 0.160 5.335 -10.111 1.00 53.24 N ATOM 1487 CA ASN A 93 -0.389 4.578 -8.992 1.00 62.01 C ATOM 1488 C ASN A 93 -1.857 4.928 -8.766 1.00 64.30 C ATOM 1489 O ASN A 93 -2.693 4.047 -8.566 1.00 22.51 O ATOM 1490 CB ASN A 93 0.415 4.854 -7.720 1.00 12.32 C ATOM 1491 CG ASN A 93 1.722 4.087 -7.683 1.00 61.35 C ATOM 1492 OD1 ASN A 93 2.049 3.442 -6.687 1.00 0.44 O ATOM 1493 ND2 ASN A 93 2.477 4.153 -8.774 1.00 22.41 N ATOM 0 H ASN A 93 0.724 6.140 -9.839 1.00 53.24 H new ATOM 0 HA ASN A 93 -0.320 3.517 -9.234 1.00 62.01 H new ATOM 0 HB2 ASN A 93 0.622 5.922 -7.649 1.00 12.32 H new ATOM 0 HB3 ASN A 93 -0.184 4.587 -6.850 1.00 12.32 H new ATOM 0 HD21 ASN A 93 3.367 3.657 -8.809 1.00 22.41 H new ATOM 0 HD22 ASN A 93 2.166 4.700 -9.577 1.00 22.41 H new ATOM 1500 N LYS A 94 -2.163 6.220 -8.800 1.00 11.11 N ATOM 1501 CA LYS A 94 -3.530 6.688 -8.601 1.00 5.31 C ATOM 1502 C LYS A 94 -4.455 6.142 -9.683 1.00 60.03 C ATOM 1503 O LYS A 94 -5.563 5.690 -9.395 1.00 5.21 O ATOM 1504 CB LYS A 94 -3.572 8.218 -8.603 1.00 42.13 C ATOM 1505 CG LYS A 94 -4.953 8.789 -8.331 1.00 63.10 C ATOM 1506 CD LYS A 94 -5.070 10.223 -8.820 1.00 61.32 C ATOM 1507 CE LYS A 94 -4.260 11.175 -7.954 1.00 14.24 C ATOM 1508 NZ LYS A 94 -4.731 12.582 -8.087 1.00 22.23 N ATOM 0 H LYS A 94 -1.483 6.962 -8.964 1.00 11.11 H new ATOM 0 HA LYS A 94 -3.876 6.322 -7.634 1.00 5.31 H new ATOM 0 HB2 LYS A 94 -2.878 8.593 -7.851 1.00 42.13 H new ATOM 0 HB3 LYS A 94 -3.222 8.581 -9.569 1.00 42.13 H new ATOM 0 HG2 LYS A 94 -5.706 8.173 -8.823 1.00 63.10 H new ATOM 0 HG3 LYS A 94 -5.159 8.750 -7.261 1.00 63.10 H new ATOM 0 HD2 LYS A 94 -4.725 10.286 -9.852 1.00 61.32 H new ATOM 0 HD3 LYS A 94 -6.117 10.526 -8.815 1.00 61.32 H new ATOM 0 HE2 LYS A 94 -4.329 10.866 -6.911 1.00 14.24 H new ATOM 0 HE3 LYS A 94 -3.208 11.116 -8.235 1.00 14.24 H new ATOM 0 HZ1 LYS A 94 -4.154 13.200 -7.481 1.00 22.23 H new ATOM 0 HZ2 LYS A 94 -4.641 12.886 -9.078 1.00 22.23 H new ATOM 0 HZ3 LYS A 94 -5.727 12.644 -7.795 1.00 22.23 H new ATOM 1522 N GLU A 95 -3.992 6.186 -10.929 1.00 31.32 N ATOM 1523 CA GLU A 95 -4.780 5.694 -12.053 1.00 65.03 C ATOM 1524 C GLU A 95 -4.918 4.175 -11.998 1.00 1.22 C ATOM 1525 O GLU A 95 -5.956 3.622 -12.361 1.00 32.03 O ATOM 1526 CB GLU A 95 -4.135 6.110 -13.377 1.00 4.30 C ATOM 1527 CG GLU A 95 -4.237 7.599 -13.662 1.00 52.22 C ATOM 1528 CD GLU A 95 -5.459 7.952 -14.488 1.00 12.24 C ATOM 1529 OE1 GLU A 95 -6.579 7.580 -14.078 1.00 22.20 O ATOM 1530 OE2 GLU A 95 -5.296 8.600 -15.542 1.00 55.25 O ATOM 0 H GLU A 95 -3.077 6.557 -11.185 1.00 31.32 H new ATOM 0 HA GLU A 95 -5.775 6.135 -11.986 1.00 65.03 H new ATOM 0 HB2 GLU A 95 -3.084 5.822 -13.366 1.00 4.30 H new ATOM 0 HB3 GLU A 95 -4.608 5.560 -14.191 1.00 4.30 H new ATOM 0 HG2 GLU A 95 -4.271 8.144 -12.719 1.00 52.22 H new ATOM 0 HG3 GLU A 95 -3.340 7.927 -14.188 1.00 52.22 H new ATOM 1537 N TYR A 96 -3.864 3.508 -11.542 1.00 21.41 N ATOM 1538 CA TYR A 96 -3.866 2.053 -11.441 1.00 64.04 C ATOM 1539 C TYR A 96 -5.025 1.568 -10.577 1.00 32.12 C ATOM 1540 O TYR A 96 -5.825 0.733 -11.002 1.00 42.33 O ATOM 1541 CB TYR A 96 -2.540 1.559 -10.860 1.00 2.53 C ATOM 1542 CG TYR A 96 -2.415 0.053 -10.829 1.00 73.15 C ATOM 1543 CD1 TYR A 96 -3.000 -0.692 -9.813 1.00 15.23 C ATOM 1544 CD2 TYR A 96 -1.712 -0.626 -11.817 1.00 2.22 C ATOM 1545 CE1 TYR A 96 -2.889 -2.068 -9.780 1.00 62.45 C ATOM 1546 CE2 TYR A 96 -1.596 -2.002 -11.793 1.00 73.24 C ATOM 1547 CZ TYR A 96 -2.186 -2.719 -10.773 1.00 52.12 C ATOM 1548 OH TYR A 96 -2.072 -4.090 -10.746 1.00 12.04 O ATOM 0 H TYR A 96 -2.998 3.951 -11.236 1.00 21.41 H new ATOM 0 HA TYR A 96 -3.990 1.645 -12.444 1.00 64.04 H new ATOM 0 HB2 TYR A 96 -1.720 1.971 -11.448 1.00 2.53 H new ATOM 0 HB3 TYR A 96 -2.431 1.945 -9.846 1.00 2.53 H new ATOM 0 HD1 TYR A 96 -3.552 -0.186 -9.035 1.00 15.23 H new ATOM 0 HD2 TYR A 96 -1.248 -0.068 -12.617 1.00 2.22 H new ATOM 0 HE1 TYR A 96 -3.350 -2.631 -8.982 1.00 62.45 H new ATOM 0 HE2 TYR A 96 -1.046 -2.514 -12.569 1.00 73.24 H new ATOM 0 HH TYR A 96 -1.547 -4.390 -11.517 1.00 12.04 H new ATOM 1558 N CYS A 97 -5.110 2.097 -9.361 1.00 41.45 N ATOM 1559 CA CYS A 97 -6.171 1.719 -8.435 1.00 53.41 C ATOM 1560 C CYS A 97 -7.541 2.083 -9.000 1.00 3.25 C ATOM 1561 O CYS A 97 -8.521 1.371 -8.783 1.00 54.35 O ATOM 1562 CB CYS A 97 -5.965 2.405 -7.083 1.00 61.45 C ATOM 1563 SG CYS A 97 -4.411 1.972 -6.266 1.00 41.45 S ATOM 0 H CYS A 97 -4.457 2.789 -8.994 1.00 41.45 H new ATOM 0 HA CYS A 97 -6.130 0.639 -8.296 1.00 53.41 H new ATOM 0 HB2 CYS A 97 -5.999 3.485 -7.226 1.00 61.45 H new ATOM 0 HB3 CYS A 97 -6.794 2.144 -6.425 1.00 61.45 H new ATOM 0 HG CYS A 97 -3.423 2.563 -6.871 1.00 41.45 H new ATOM 1569 N SER A 98 -7.600 3.197 -9.722 1.00 51.14 N ATOM 1570 CA SER A 98 -8.851 3.659 -10.314 1.00 24.15 C ATOM 1571 C SER A 98 -9.183 2.863 -11.572 1.00 34.33 C ATOM 1572 O SER A 98 -10.299 2.933 -12.089 1.00 23.35 O ATOM 1573 CB SER A 98 -8.761 5.149 -10.648 1.00 54.10 C ATOM 1574 OG SER A 98 -10.050 5.707 -10.839 1.00 10.04 O ATOM 0 H SER A 98 -6.797 3.797 -9.911 1.00 51.14 H new ATOM 0 HA SER A 98 -9.648 3.504 -9.587 1.00 24.15 H new ATOM 0 HB2 SER A 98 -8.249 5.675 -9.842 1.00 54.10 H new ATOM 0 HB3 SER A 98 -8.164 5.288 -11.549 1.00 54.10 H new ATOM 0 HG SER A 98 -10.621 5.059 -11.302 1.00 10.04 H new ATOM 1580 N LYS A 99 -8.207 2.105 -12.060 1.00 52.12 N ATOM 1581 CA LYS A 99 -8.394 1.293 -13.257 1.00 0.40 C ATOM 1582 C LYS A 99 -9.537 0.301 -13.068 1.00 65.33 C ATOM 1583 O LYS A 99 -10.105 -0.197 -14.040 1.00 2.42 O ATOM 1584 CB LYS A 99 -7.104 0.544 -13.596 1.00 64.22 C ATOM 1585 CG LYS A 99 -7.080 -0.019 -15.007 1.00 2.51 C ATOM 1586 CD LYS A 99 -5.751 -0.686 -15.319 1.00 21.12 C ATOM 1587 CE LYS A 99 -5.631 -2.038 -14.631 1.00 52.42 C ATOM 1588 NZ LYS A 99 -5.318 -3.126 -15.598 1.00 44.10 N ATOM 0 H LYS A 99 -7.278 2.036 -11.645 1.00 52.12 H new ATOM 0 HA LYS A 99 -8.647 1.959 -14.082 1.00 0.40 H new ATOM 0 HB2 LYS A 99 -6.258 1.219 -13.469 1.00 64.22 H new ATOM 0 HB3 LYS A 99 -6.970 -0.272 -12.886 1.00 64.22 H new ATOM 0 HG2 LYS A 99 -7.887 -0.742 -15.125 1.00 2.51 H new ATOM 0 HG3 LYS A 99 -7.263 0.783 -15.723 1.00 2.51 H new ATOM 0 HD2 LYS A 99 -5.651 -0.815 -16.397 1.00 21.12 H new ATOM 0 HD3 LYS A 99 -4.934 -0.040 -14.998 1.00 21.12 H new ATOM 0 HE2 LYS A 99 -4.850 -1.991 -13.872 1.00 52.42 H new ATOM 0 HE3 LYS A 99 -6.564 -2.267 -14.116 1.00 52.42 H new ATOM 0 HZ1 LYS A 99 -5.244 -4.031 -15.091 1.00 44.10 H new ATOM 0 HZ2 LYS A 99 -6.075 -3.188 -16.308 1.00 44.10 H new ATOM 0 HZ3 LYS A 99 -4.415 -2.920 -16.072 1.00 44.10 H new ATOM 1602 N GLU A 100 -9.868 0.018 -11.812 1.00 51.52 N ATOM 1603 CA GLU A 100 -10.944 -0.915 -11.498 1.00 3.40 C ATOM 1604 C GLU A 100 -12.306 -0.298 -11.804 1.00 4.23 C ATOM 1605 O GLU A 100 -13.308 -1.003 -11.913 1.00 10.43 O ATOM 1606 CB GLU A 100 -10.877 -1.327 -10.026 1.00 72.10 C ATOM 1607 CG GLU A 100 -9.535 -1.911 -9.617 1.00 52.15 C ATOM 1608 CD GLU A 100 -9.283 -1.805 -8.126 1.00 62.40 C ATOM 1609 OE1 GLU A 100 -10.253 -1.927 -7.349 1.00 51.44 O ATOM 1610 OE2 GLU A 100 -8.114 -1.602 -7.736 1.00 10.13 O ATOM 0 H GLU A 100 -9.407 0.421 -10.996 1.00 51.52 H new ATOM 0 HA GLU A 100 -10.817 -1.800 -12.122 1.00 3.40 H new ATOM 0 HB2 GLU A 100 -11.090 -0.457 -9.404 1.00 72.10 H new ATOM 0 HB3 GLU A 100 -11.659 -2.060 -9.827 1.00 72.10 H new ATOM 0 HG2 GLU A 100 -9.493 -2.959 -9.915 1.00 52.15 H new ATOM 0 HG3 GLU A 100 -8.739 -1.394 -10.154 1.00 52.15 H new ATOM 1617 N GLY A 101 -12.333 1.025 -11.940 1.00 62.42 N ATOM 1618 CA GLY A 101 -13.576 1.715 -12.231 1.00 63.11 C ATOM 1619 C GLY A 101 -14.391 1.992 -10.983 1.00 44.35 C ATOM 1620 O GLY A 101 -15.428 2.650 -11.045 1.00 51.34 O ATOM 0 H GLY A 101 -11.517 1.630 -11.854 1.00 62.42 H new ATOM 0 HA2 GLY A 101 -13.356 2.657 -12.734 1.00 63.11 H new ATOM 0 HA3 GLY A 101 -14.168 1.115 -12.922 1.00 63.11 H new ATOM 1624 N ASN A 102 -13.921 1.488 -9.847 1.00 64.33 N ATOM 1625 CA ASN A 102 -14.614 1.683 -8.579 1.00 75.04 C ATOM 1626 C ASN A 102 -13.637 2.089 -7.481 1.00 43.51 C ATOM 1627 O ASN A 102 -12.661 1.387 -7.212 1.00 42.53 O ATOM 1628 CB ASN A 102 -15.350 0.404 -8.175 1.00 15.13 C ATOM 1629 CG ASN A 102 -16.827 0.642 -7.924 1.00 72.42 C ATOM 1630 OD1 ASN A 102 -17.473 1.410 -8.637 1.00 35.40 O ATOM 1631 ND2 ASN A 102 -17.368 -0.019 -6.907 1.00 11.52 N ATOM 0 H ASN A 102 -13.063 0.941 -9.779 1.00 64.33 H new ATOM 0 HA ASN A 102 -15.339 2.486 -8.710 1.00 75.04 H new ATOM 0 HB2 ASN A 102 -15.233 -0.343 -8.960 1.00 15.13 H new ATOM 0 HB3 ASN A 102 -14.893 -0.006 -7.275 1.00 15.13 H new ATOM 0 HD21 ASN A 102 -18.358 0.100 -6.690 1.00 11.52 H new ATOM 0 HD22 ASN A 102 -16.794 -0.645 -6.343 1.00 11.52 H new ATOM 1638 N LEU A 103 -13.905 3.227 -6.849 1.00 70.41 N ATOM 1639 CA LEU A 103 -13.050 3.727 -5.779 1.00 3.43 C ATOM 1640 C LEU A 103 -13.558 3.268 -4.416 1.00 3.13 C ATOM 1641 O LEU A 103 -14.763 3.261 -4.161 1.00 23.54 O ATOM 1642 CB LEU A 103 -12.985 5.255 -5.823 1.00 41.02 C ATOM 1643 CG LEU A 103 -11.588 5.864 -5.954 1.00 55.12 C ATOM 1644 CD1 LEU A 103 -10.784 5.634 -4.684 1.00 74.10 C ATOM 1645 CD2 LEU A 103 -10.864 5.282 -7.159 1.00 43.22 C ATOM 0 H LEU A 103 -14.708 3.820 -7.059 1.00 70.41 H new ATOM 0 HA LEU A 103 -12.049 3.322 -5.928 1.00 3.43 H new ATOM 0 HB2 LEU A 103 -13.590 5.600 -6.661 1.00 41.02 H new ATOM 0 HB3 LEU A 103 -13.446 5.645 -4.915 1.00 41.02 H new ATOM 0 HG LEU A 103 -11.693 6.939 -6.103 1.00 55.12 H new ATOM 0 HD11 LEU A 103 -9.793 6.074 -4.796 1.00 74.10 H new ATOM 0 HD12 LEU A 103 -11.295 6.099 -3.841 1.00 74.10 H new ATOM 0 HD13 LEU A 103 -10.687 4.563 -4.504 1.00 74.10 H new ATOM 0 HD21 LEU A 103 -9.872 5.726 -7.237 1.00 43.22 H new ATOM 0 HD22 LEU A 103 -10.770 4.203 -7.040 1.00 43.22 H new ATOM 0 HD23 LEU A 103 -11.431 5.499 -8.064 1.00 43.22 H new ATOM 1657 N LEU A 104 -12.632 2.888 -3.543 1.00 24.34 N ATOM 1658 CA LEU A 104 -12.985 2.429 -2.204 1.00 11.04 C ATOM 1659 C LEU A 104 -12.577 3.455 -1.151 1.00 51.02 C ATOM 1660 O LEU A 104 -13.359 3.791 -0.262 1.00 24.31 O ATOM 1661 CB LEU A 104 -12.315 1.086 -1.910 1.00 24.13 C ATOM 1662 CG LEU A 104 -12.207 0.698 -0.435 1.00 3.14 C ATOM 1663 CD1 LEU A 104 -13.557 0.832 0.253 1.00 43.13 C ATOM 1664 CD2 LEU A 104 -11.673 -0.720 -0.294 1.00 2.14 C ATOM 0 H LEU A 104 -11.631 2.889 -3.738 1.00 24.34 H new ATOM 0 HA LEU A 104 -14.067 2.305 -2.163 1.00 11.04 H new ATOM 0 HB2 LEU A 104 -12.869 0.305 -2.431 1.00 24.13 H new ATOM 0 HB3 LEU A 104 -11.311 1.103 -2.335 1.00 24.13 H new ATOM 0 HG LEU A 104 -11.507 1.379 0.049 1.00 3.14 H new ATOM 0 HD11 LEU A 104 -13.460 0.552 1.302 1.00 43.13 H new ATOM 0 HD12 LEU A 104 -13.900 1.864 0.184 1.00 43.13 H new ATOM 0 HD13 LEU A 104 -14.280 0.176 -0.233 1.00 43.13 H new ATOM 0 HD21 LEU A 104 -11.603 -0.979 0.762 1.00 2.14 H new ATOM 0 HD22 LEU A 104 -12.348 -1.414 -0.794 1.00 2.14 H new ATOM 0 HD23 LEU A 104 -10.685 -0.784 -0.750 1.00 2.14 H new ATOM 1676 N MET A 105 -11.349 3.951 -1.260 1.00 62.34 N ATOM 1677 CA MET A 105 -10.839 4.941 -0.320 1.00 4.52 C ATOM 1678 C MET A 105 -9.976 5.977 -1.035 1.00 75.22 C ATOM 1679 O MET A 105 -9.155 5.633 -1.884 1.00 24.21 O ATOM 1680 CB MET A 105 -10.027 4.259 0.783 1.00 62.23 C ATOM 1681 CG MET A 105 -9.083 5.200 1.514 1.00 62.35 C ATOM 1682 SD MET A 105 -8.976 4.844 3.278 1.00 62.11 S ATOM 1683 CE MET A 105 -7.479 3.862 3.335 1.00 1.01 C ATOM 0 H MET A 105 -10.689 3.683 -1.990 1.00 62.34 H new ATOM 0 HA MET A 105 -11.692 5.451 0.129 1.00 4.52 H new ATOM 0 HB2 MET A 105 -10.712 3.813 1.504 1.00 62.23 H new ATOM 0 HB3 MET A 105 -9.449 3.445 0.346 1.00 62.23 H new ATOM 0 HG2 MET A 105 -8.089 5.127 1.072 1.00 62.35 H new ATOM 0 HG3 MET A 105 -9.420 6.227 1.374 1.00 62.35 H new ATOM 0 HE1 MET A 105 -7.034 3.934 4.327 1.00 1.01 H new ATOM 0 HE2 MET A 105 -7.719 2.821 3.120 1.00 1.01 H new ATOM 0 HE3 MET A 105 -6.772 4.233 2.593 1.00 1.01 H new ATOM 1693 N GLU A 106 -10.171 7.245 -0.687 1.00 25.15 N ATOM 1694 CA GLU A 106 -9.411 8.329 -1.297 1.00 44.23 C ATOM 1695 C GLU A 106 -8.894 9.296 -0.236 1.00 41.51 C ATOM 1696 O GLU A 106 -9.657 10.084 0.325 1.00 4.12 O ATOM 1697 CB GLU A 106 -10.277 9.081 -2.310 1.00 44.21 C ATOM 1698 CG GLU A 106 -9.605 9.276 -3.659 1.00 51.11 C ATOM 1699 CD GLU A 106 -9.178 10.712 -3.896 1.00 65.50 C ATOM 1700 OE1 GLU A 106 -8.680 11.347 -2.943 1.00 33.24 O ATOM 1701 OE2 GLU A 106 -9.340 11.200 -5.034 1.00 33.43 O ATOM 0 H GLU A 106 -10.848 7.546 0.014 1.00 25.15 H new ATOM 0 HA GLU A 106 -8.556 7.893 -1.813 1.00 44.23 H new ATOM 0 HB2 GLU A 106 -11.210 8.536 -2.454 1.00 44.21 H new ATOM 0 HB3 GLU A 106 -10.538 10.056 -1.899 1.00 44.21 H new ATOM 0 HG2 GLU A 106 -8.732 8.626 -3.723 1.00 51.11 H new ATOM 0 HG3 GLU A 106 -10.290 8.969 -4.450 1.00 51.11 H new ATOM 1708 N CYS A 107 -7.595 9.230 0.034 1.00 40.44 N ATOM 1709 CA CYS A 107 -6.975 10.099 1.028 1.00 35.14 C ATOM 1710 C CYS A 107 -5.508 10.347 0.695 1.00 22.44 C ATOM 1711 O CYS A 107 -4.978 9.797 -0.270 1.00 13.23 O ATOM 1712 CB CYS A 107 -7.098 9.481 2.422 1.00 5.00 C ATOM 1713 SG CYS A 107 -8.665 9.833 3.251 1.00 54.31 S ATOM 0 H CYS A 107 -6.951 8.584 -0.422 1.00 40.44 H new ATOM 0 HA CYS A 107 -7.497 11.056 1.015 1.00 35.14 H new ATOM 0 HB2 CYS A 107 -6.977 8.401 2.341 1.00 5.00 H new ATOM 0 HB3 CYS A 107 -6.281 9.847 3.043 1.00 5.00 H new ATOM 0 HG CYS A 107 -9.591 10.033 2.361 1.00 54.31 H new ATOM 1719 N GLY A 108 -4.856 11.180 1.501 1.00 62.31 N ATOM 1720 CA GLY A 108 -3.456 11.487 1.274 1.00 2.21 C ATOM 1721 C GLY A 108 -3.251 12.430 0.105 1.00 73.34 C ATOM 1722 O GLY A 108 -4.216 12.916 -0.485 1.00 63.12 O ATOM 0 H GLY A 108 -5.272 11.647 2.306 1.00 62.31 H new ATOM 0 HA2 GLY A 108 -3.034 11.933 2.175 1.00 2.21 H new ATOM 0 HA3 GLY A 108 -2.910 10.562 1.091 1.00 2.21 H new