USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 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= -4.67! C(o=-5.9!,f=-4.7!) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 22 ASN : amide:sc=-0.000151 X(o=-0.00015,f=-0.00015) USER MOD Set 2.2: A 23 ASN : amide:sc= 0 X(o=-0.00015,f=-0.33) USER MOD Single : A 12 GLN : amide:sc= -1.03 X(o=-1,f=-0.95) USER MOD Single : A 14 HIS : no HE2:sc= -0.14 K(o=-0.14,f=-0.81) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 30:sc= 0.0991 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+ -109:sc= 0.365 (180deg=-0.109) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 15:sc= -0.713 USER MOD Single : A 57 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-2.8) USER MOD Single : A 63 ASN : amide:sc= -1.44 K(o=-1.4,f=-5!) 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= -2.54 K(o=-2.5,f=-5.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.414 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot 160:sc= -1.7 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) 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 :FLIP amide:sc= -0.32 F(o=-2.6!,f=-0.32) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 71:sc= 0.374 USER MOD Single : A 98 SER OG : rot -41:sc= 0.704 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc=-0.00253 X(o=-0.0025,f=0.26) USER MOD Single : A 105 MET CE :methyl 163:sc= -1.19 (180deg=-2.5) USER MOD Single : A 107 CYS SG : rot 3:sc= 0.184 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.617 -2.972 0.327 1.00 40.10 N ATOM 148 CA GLN A 12 15.616 -1.849 1.257 1.00 41.10 C ATOM 149 C GLN A 12 14.228 -1.226 1.356 1.00 13.44 C ATOM 150 O GLN A 12 13.376 -1.406 0.486 1.00 51.31 O ATOM 151 CB GLN A 12 16.632 -0.793 0.816 1.00 74.41 C ATOM 152 CG GLN A 12 17.904 -0.789 1.647 1.00 1.54 C ATOM 153 CD GLN A 12 18.243 0.587 2.187 1.00 23.13 C ATOM 154 OE1 GLN A 12 18.349 1.554 1.432 1.00 21.04 O ATOM 155 NE2 GLN A 12 18.416 0.682 3.501 1.00 73.35 N ATOM 0 HA GLN A 12 15.897 -2.224 2.241 1.00 41.10 H new ATOM 0 HB2 GLN A 12 16.891 -0.964 -0.229 1.00 74.41 H new ATOM 0 HB3 GLN A 12 16.168 0.192 0.872 1.00 74.41 H new ATOM 0 HG2 GLN A 12 17.792 -1.484 2.479 1.00 1.54 H new ATOM 0 HG3 GLN A 12 18.733 -1.151 1.038 1.00 1.54 H new ATOM 0 HE21 GLN A 12 18.319 -0.145 4.089 1.00 73.35 H new ATOM 0 HE22 GLN A 12 18.646 1.582 3.921 1.00 73.35 H new ATOM 164 N PRO A 13 13.992 -0.475 2.443 1.00 41.34 N ATOM 165 CA PRO A 13 12.708 0.191 2.682 1.00 71.44 C ATOM 166 C PRO A 13 12.462 1.342 1.712 1.00 21.40 C ATOM 167 O PRO A 13 13.403 1.977 1.236 1.00 42.22 O ATOM 168 CB PRO A 13 12.842 0.716 4.113 1.00 52.51 C ATOM 169 CG PRO A 13 14.308 0.875 4.323 1.00 62.43 C ATOM 170 CD PRO A 13 14.961 -0.217 3.521 1.00 44.02 C ATOM 0 HA PRO A 13 11.865 -0.485 2.539 1.00 71.44 H new ATOM 0 HB2 PRO A 13 12.319 1.664 4.237 1.00 52.51 H new ATOM 0 HB3 PRO A 13 12.412 0.019 4.832 1.00 52.51 H new ATOM 0 HG2 PRO A 13 14.645 1.857 3.992 1.00 62.43 H new ATOM 0 HG3 PRO A 13 14.563 0.789 5.379 1.00 62.43 H new ATOM 0 HD2 PRO A 13 15.927 0.097 3.126 1.00 44.02 H new ATOM 0 HD3 PRO A 13 15.138 -1.108 4.124 1.00 44.02 H new ATOM 178 N HIS A 14 11.192 1.605 1.424 1.00 55.43 N ATOM 179 CA HIS A 14 10.822 2.682 0.511 1.00 23.41 C ATOM 180 C HIS A 14 9.604 3.440 1.030 1.00 44.10 C ATOM 181 O HIS A 14 9.046 3.100 2.073 1.00 32.01 O ATOM 182 CB HIS A 14 10.533 2.121 -0.882 1.00 21.03 C ATOM 183 CG HIS A 14 11.749 1.594 -1.580 1.00 0.24 C ATOM 184 ND1 HIS A 14 12.185 0.292 -1.453 1.00 13.12 N ATOM 185 CD2 HIS A 14 12.622 2.202 -2.417 1.00 22.42 C ATOM 186 CE1 HIS A 14 13.274 0.122 -2.180 1.00 62.23 C ATOM 187 NE2 HIS A 14 13.560 1.265 -2.776 1.00 5.52 N ATOM 0 H HIS A 14 10.401 1.088 1.809 1.00 55.43 H new ATOM 0 HA HIS A 14 11.660 3.376 0.448 1.00 23.41 H new ATOM 0 HB2 HIS A 14 9.798 1.321 -0.797 1.00 21.03 H new ATOM 0 HB3 HIS A 14 10.084 2.903 -1.494 1.00 21.03 H new ATOM 0 HD1 HIS A 14 11.736 -0.427 -0.886 1.00 13.12 H new ATOM 0 HD2 HIS A 14 12.587 3.231 -2.742 1.00 22.42 H new ATOM 0 HE1 HIS A 14 13.835 -0.796 -2.272 1.00 62.23 H new ATOM 195 N LYS A 15 9.198 4.470 0.296 1.00 51.23 N ATOM 196 CA LYS A 15 8.046 5.278 0.680 1.00 23.53 C ATOM 197 C LYS A 15 6.827 4.924 -0.166 1.00 2.04 C ATOM 198 O LYS A 15 5.868 5.692 -0.241 1.00 2.44 O ATOM 199 CB LYS A 15 8.369 6.766 0.532 1.00 13.22 C ATOM 200 CG LYS A 15 8.996 7.123 -0.804 1.00 72.45 C ATOM 201 CD LYS A 15 10.437 7.576 -0.641 1.00 70.32 C ATOM 202 CE LYS A 15 11.285 7.181 -1.841 1.00 33.34 C ATOM 203 NZ LYS A 15 12.629 7.821 -1.805 1.00 54.11 N ATOM 0 H LYS A 15 9.650 4.766 -0.569 1.00 51.23 H new ATOM 0 HA LYS A 15 7.816 5.065 1.724 1.00 23.53 H new ATOM 0 HB2 LYS A 15 7.453 7.342 0.659 1.00 13.22 H new ATOM 0 HB3 LYS A 15 9.046 7.063 1.333 1.00 13.22 H new ATOM 0 HG2 LYS A 15 8.958 6.259 -1.467 1.00 72.45 H new ATOM 0 HG3 LYS A 15 8.416 7.915 -1.279 1.00 72.45 H new ATOM 0 HD2 LYS A 15 10.467 8.658 -0.513 1.00 70.32 H new ATOM 0 HD3 LYS A 15 10.858 7.137 0.263 1.00 70.32 H new ATOM 0 HE2 LYS A 15 11.399 6.097 -1.864 1.00 33.34 H new ATOM 0 HE3 LYS A 15 10.771 7.467 -2.759 1.00 33.34 H new ATOM 0 HZ1 LYS A 15 13.176 7.527 -2.639 1.00 54.11 H new ATOM 0 HZ2 LYS A 15 12.521 8.855 -1.809 1.00 54.11 H new ATOM 0 HZ3 LYS A 15 13.130 7.528 -0.942 1.00 54.11 H new ATOM 217 N ARG A 16 6.871 3.757 -0.799 1.00 74.42 N ATOM 218 CA ARG A 16 5.769 3.302 -1.639 1.00 62.22 C ATOM 219 C ARG A 16 5.551 1.800 -1.484 1.00 22.44 C ATOM 220 O ARG A 16 6.482 1.009 -1.634 1.00 24.33 O ATOM 221 CB ARG A 16 6.045 3.639 -3.106 1.00 23.33 C ATOM 222 CG ARG A 16 6.290 5.118 -3.355 1.00 54.02 C ATOM 223 CD ARG A 16 6.669 5.383 -4.804 1.00 1.44 C ATOM 224 NE ARG A 16 8.114 5.332 -5.009 1.00 61.31 N ATOM 225 CZ ARG A 16 8.712 5.724 -6.129 1.00 13.23 C ATOM 226 NH1 ARG A 16 7.992 6.195 -7.138 1.00 44.10 N ATOM 227 NH2 ARG A 16 10.032 5.646 -6.240 1.00 14.40 N ATOM 0 H ARG A 16 7.657 3.109 -0.747 1.00 74.42 H new ATOM 0 HA ARG A 16 4.864 3.818 -1.318 1.00 62.22 H new ATOM 0 HB2 ARG A 16 6.914 3.074 -3.443 1.00 23.33 H new ATOM 0 HB3 ARG A 16 5.199 3.313 -3.710 1.00 23.33 H new ATOM 0 HG2 ARG A 16 5.393 5.684 -3.103 1.00 54.02 H new ATOM 0 HG3 ARG A 16 7.085 5.472 -2.699 1.00 54.02 H new ATOM 0 HD2 ARG A 16 6.185 4.647 -5.446 1.00 1.44 H new ATOM 0 HD3 ARG A 16 6.295 6.362 -5.104 1.00 1.44 H new ATOM 0 HE ARG A 16 8.696 4.976 -4.251 1.00 61.31 H new ATOM 0 HH11 ARG A 16 6.977 6.257 -7.055 1.00 44.10 H new ATOM 0 HH12 ARG A 16 8.453 6.495 -7.997 1.00 44.10 H new ATOM 0 HH21 ARG A 16 10.588 5.285 -5.465 1.00 14.40 H new ATOM 0 HH22 ARG A 16 10.490 5.947 -7.100 1.00 14.40 H new ATOM 241 N TRP A 17 4.317 1.415 -1.182 1.00 34.32 N ATOM 242 CA TRP A 17 3.977 0.007 -1.005 1.00 54.32 C ATOM 243 C TRP A 17 2.519 -0.250 -1.370 1.00 33.44 C ATOM 244 O TRP A 17 1.630 0.514 -0.993 1.00 61.10 O ATOM 245 CB TRP A 17 4.238 -0.425 0.439 1.00 44.45 C ATOM 246 CG TRP A 17 5.695 -0.553 0.765 1.00 25.02 C ATOM 247 CD1 TRP A 17 6.493 0.394 1.341 1.00 11.40 C ATOM 248 CD2 TRP A 17 6.528 -1.694 0.533 1.00 23.21 C ATOM 249 NE1 TRP A 17 7.772 -0.089 1.481 1.00 75.21 N ATOM 250 CE2 TRP A 17 7.819 -1.369 0.994 1.00 41.53 C ATOM 251 CE3 TRP A 17 6.309 -2.960 -0.017 1.00 21.02 C ATOM 252 CZ2 TRP A 17 8.884 -2.263 0.919 1.00 55.12 C ATOM 253 CZ3 TRP A 17 7.367 -3.846 -0.091 1.00 34.53 C ATOM 254 CH2 TRP A 17 8.640 -3.495 0.376 1.00 64.23 C ATOM 0 H TRP A 17 3.535 2.057 -1.054 1.00 34.32 H new ATOM 0 HA TRP A 17 4.608 -0.580 -1.672 1.00 54.32 H new ATOM 0 HB2 TRP A 17 3.784 0.299 1.115 1.00 44.45 H new ATOM 0 HB3 TRP A 17 3.747 -1.381 0.619 1.00 44.45 H new ATOM 0 HD1 TRP A 17 6.167 1.378 1.642 1.00 11.40 H new ATOM 0 HE1 TRP A 17 8.558 0.422 1.882 1.00 75.21 H new ATOM 0 HE3 TRP A 17 5.331 -3.241 -0.378 1.00 21.02 H new ATOM 0 HZ2 TRP A 17 9.867 -1.994 1.276 1.00 55.12 H new ATOM 0 HZ3 TRP A 17 7.210 -4.826 -0.516 1.00 34.53 H new ATOM 0 HH2 TRP A 17 9.445 -4.211 0.306 1.00 64.23 H new ATOM 265 N VAL A 18 2.279 -1.332 -2.104 1.00 50.15 N ATOM 266 CA VAL A 18 0.928 -1.691 -2.518 1.00 51.25 C ATOM 267 C VAL A 18 0.404 -2.877 -1.717 1.00 65.30 C ATOM 268 O VAL A 18 1.177 -3.619 -1.109 1.00 52.03 O ATOM 269 CB VAL A 18 0.873 -2.034 -4.019 1.00 22.51 C ATOM 270 CG1 VAL A 18 1.324 -0.847 -4.856 1.00 14.23 C ATOM 271 CG2 VAL A 18 1.725 -3.260 -4.316 1.00 14.34 C ATOM 0 H VAL A 18 3.003 -1.975 -2.424 1.00 50.15 H new ATOM 0 HA VAL A 18 0.298 -0.822 -2.328 1.00 51.25 H new ATOM 0 HB VAL A 18 -0.159 -2.263 -4.284 1.00 22.51 H new ATOM 0 HG11 VAL A 18 1.278 -1.109 -5.913 1.00 14.23 H new ATOM 0 HG12 VAL A 18 0.669 0.003 -4.664 1.00 14.23 H new ATOM 0 HG13 VAL A 18 2.348 -0.583 -4.592 1.00 14.23 H new ATOM 0 HG21 VAL A 18 1.675 -3.489 -5.381 1.00 14.34 H new ATOM 0 HG22 VAL A 18 2.759 -3.061 -4.036 1.00 14.34 H new ATOM 0 HG23 VAL A 18 1.352 -4.110 -3.745 1.00 14.34 H new ATOM 281 N PHE A 19 -0.913 -3.052 -1.720 1.00 41.35 N ATOM 282 CA PHE A 19 -1.541 -4.149 -0.993 1.00 42.41 C ATOM 283 C PHE A 19 -2.615 -4.820 -1.843 1.00 73.32 C ATOM 284 O PHE A 19 -3.337 -4.159 -2.591 1.00 4.44 O ATOM 285 CB PHE A 19 -2.153 -3.638 0.313 1.00 70.30 C ATOM 286 CG PHE A 19 -3.001 -2.411 0.138 1.00 1.12 C ATOM 287 CD1 PHE A 19 -2.420 -1.155 0.076 1.00 11.54 C ATOM 288 CD2 PHE A 19 -4.379 -2.514 0.036 1.00 0.43 C ATOM 289 CE1 PHE A 19 -3.197 -0.023 -0.085 1.00 15.02 C ATOM 290 CE2 PHE A 19 -5.161 -1.386 -0.125 1.00 53.24 C ATOM 291 CZ PHE A 19 -4.570 -0.139 -0.185 1.00 10.12 C ATOM 0 H PHE A 19 -1.567 -2.448 -2.218 1.00 41.35 H new ATOM 0 HA PHE A 19 -0.772 -4.887 -0.762 1.00 42.41 H new ATOM 0 HB2 PHE A 19 -2.759 -4.429 0.755 1.00 70.30 H new ATOM 0 HB3 PHE A 19 -1.352 -3.419 1.019 1.00 70.30 H new ATOM 0 HD1 PHE A 19 -1.347 -1.059 0.154 1.00 11.54 H new ATOM 0 HD2 PHE A 19 -4.847 -3.486 0.083 1.00 0.43 H new ATOM 0 HE1 PHE A 19 -2.731 0.950 -0.133 1.00 15.02 H new ATOM 0 HE2 PHE A 19 -6.234 -1.479 -0.204 1.00 53.24 H new ATOM 0 HZ PHE A 19 -5.180 0.743 -0.310 1.00 10.12 H new ATOM 301 N THR A 20 -2.716 -6.141 -1.724 1.00 52.42 N ATOM 302 CA THR A 20 -3.700 -6.903 -2.482 1.00 32.32 C ATOM 303 C THR A 20 -4.124 -8.158 -1.726 1.00 50.33 C ATOM 304 O THR A 20 -3.284 -8.943 -1.285 1.00 3.43 O ATOM 305 CB THR A 20 -3.153 -7.310 -3.863 1.00 74.02 C ATOM 306 OG1 THR A 20 -2.037 -8.193 -3.708 1.00 1.04 O ATOM 307 CG2 THR A 20 -2.730 -6.085 -4.660 1.00 35.01 C ATOM 0 H THR A 20 -2.128 -6.704 -1.110 1.00 52.42 H new ATOM 0 HA THR A 20 -4.565 -6.254 -2.619 1.00 32.32 H new ATOM 0 HB THR A 20 -3.947 -7.822 -4.407 1.00 74.02 H new ATOM 0 HG1 THR A 20 -2.143 -8.713 -2.884 1.00 1.04 H new ATOM 0 HG21 THR A 20 -2.347 -6.397 -5.632 1.00 35.01 H new ATOM 0 HG22 THR A 20 -3.589 -5.429 -4.802 1.00 35.01 H new ATOM 0 HG23 THR A 20 -1.951 -5.550 -4.118 1.00 35.01 H new ATOM 315 N LEU A 21 -5.432 -8.342 -1.581 1.00 44.41 N ATOM 316 CA LEU A 21 -5.968 -9.503 -0.879 1.00 4.51 C ATOM 317 C LEU A 21 -7.211 -10.038 -1.582 1.00 12.34 C ATOM 318 O LEU A 21 -8.075 -9.271 -2.004 1.00 75.01 O ATOM 319 CB LEU A 21 -6.303 -9.138 0.568 1.00 2.14 C ATOM 320 CG LEU A 21 -6.868 -10.267 1.431 1.00 11.43 C ATOM 321 CD1 LEU A 21 -5.854 -10.695 2.481 1.00 54.11 C ATOM 322 CD2 LEU A 21 -8.170 -9.834 2.090 1.00 41.32 C ATOM 0 H LEU A 21 -6.141 -7.702 -1.940 1.00 44.41 H new ATOM 0 HA LEU A 21 -5.207 -10.283 -0.883 1.00 4.51 H new ATOM 0 HB2 LEU A 21 -5.399 -8.761 1.045 1.00 2.14 H new ATOM 0 HB3 LEU A 21 -7.023 -8.320 0.558 1.00 2.14 H new ATOM 0 HG LEU A 21 -7.076 -11.121 0.787 1.00 11.43 H new ATOM 0 HD11 LEU A 21 -6.274 -11.499 3.086 1.00 54.11 H new ATOM 0 HD12 LEU A 21 -4.947 -11.046 1.989 1.00 54.11 H new ATOM 0 HD13 LEU A 21 -5.614 -9.847 3.122 1.00 54.11 H new ATOM 0 HD21 LEU A 21 -8.558 -10.650 2.700 1.00 41.32 H new ATOM 0 HD22 LEU A 21 -7.987 -8.964 2.721 1.00 41.32 H new ATOM 0 HD23 LEU A 21 -8.899 -9.578 1.321 1.00 41.32 H new ATOM 334 N ASN A 22 -7.295 -11.359 -1.701 1.00 2.23 N ATOM 335 CA ASN A 22 -8.434 -11.997 -2.351 1.00 2.13 C ATOM 336 C ASN A 22 -9.598 -12.153 -1.377 1.00 71.42 C ATOM 337 O ASN A 22 -9.406 -12.515 -0.217 1.00 71.33 O ATOM 338 CB ASN A 22 -8.031 -13.365 -2.905 1.00 44.32 C ATOM 339 CG ASN A 22 -9.229 -14.197 -3.319 1.00 40.23 C ATOM 340 OD1 ASN A 22 -9.886 -13.905 -4.319 1.00 11.35 O ATOM 341 ND2 ASN A 22 -9.519 -15.240 -2.550 1.00 62.04 N ATOM 0 H ASN A 22 -6.588 -12.008 -1.356 1.00 2.23 H new ATOM 0 HA ASN A 22 -8.755 -11.359 -3.175 1.00 2.13 H new ATOM 0 HB2 ASN A 22 -7.374 -13.227 -3.764 1.00 44.32 H new ATOM 0 HB3 ASN A 22 -7.460 -13.906 -2.150 1.00 44.32 H new ATOM 0 HD21 ASN A 22 -10.314 -15.837 -2.779 1.00 62.04 H new ATOM 0 HD22 ASN A 22 -8.947 -15.444 -1.731 1.00 62.04 H new ATOM 348 N ASN A 23 -10.806 -11.879 -1.859 1.00 10.51 N ATOM 349 CA ASN A 23 -12.002 -11.989 -1.032 1.00 10.25 C ATOM 350 C ASN A 23 -11.827 -11.231 0.281 1.00 30.43 C ATOM 351 O ASN A 23 -11.781 -11.817 1.363 1.00 22.22 O ATOM 352 CB ASN A 23 -12.317 -13.459 -0.747 1.00 40.22 C ATOM 353 CG ASN A 23 -13.018 -14.135 -1.910 1.00 22.24 C ATOM 354 OD1 ASN A 23 -12.592 -14.019 -3.059 1.00 4.34 O ATOM 355 ND2 ASN A 23 -14.099 -14.847 -1.615 1.00 34.11 N ATOM 0 H ASN A 23 -10.982 -11.579 -2.818 1.00 10.51 H new ATOM 0 HA ASN A 23 -12.834 -11.546 -1.579 1.00 10.25 H new ATOM 0 HB2 ASN A 23 -11.391 -13.990 -0.526 1.00 40.22 H new ATOM 0 HB3 ASN A 23 -12.944 -13.528 0.142 1.00 40.22 H new ATOM 0 HD21 ASN A 23 -14.612 -15.325 -2.355 1.00 34.11 H new ATOM 0 HD22 ASN A 23 -14.416 -14.916 -0.648 1.00 34.11 H new ATOM 362 N PRO A 24 -11.728 -9.897 0.186 1.00 61.20 N ATOM 363 CA PRO A 24 -11.558 -9.030 1.356 1.00 63.51 C ATOM 364 C PRO A 24 -12.811 -8.974 2.222 1.00 12.54 C ATOM 365 O PRO A 24 -13.927 -8.879 1.711 1.00 1.21 O ATOM 366 CB PRO A 24 -11.269 -7.658 0.742 1.00 74.32 C ATOM 367 CG PRO A 24 -11.899 -7.707 -0.607 1.00 74.03 C ATOM 368 CD PRO A 24 -11.775 -9.132 -1.071 1.00 42.12 C ATOM 0 HA PRO A 24 -10.771 -9.389 2.019 1.00 63.51 H new ATOM 0 HB2 PRO A 24 -11.692 -6.856 1.348 1.00 74.32 H new ATOM 0 HB3 PRO A 24 -10.197 -7.473 0.672 1.00 74.32 H new ATOM 0 HG2 PRO A 24 -12.944 -7.401 -0.561 1.00 74.03 H new ATOM 0 HG3 PRO A 24 -11.398 -7.027 -1.296 1.00 74.03 H new ATOM 0 HD2 PRO A 24 -12.622 -9.428 -1.690 1.00 42.12 H new ATOM 0 HD3 PRO A 24 -10.875 -9.284 -1.668 1.00 42.12 H new ATOM 376 N SER A 25 -12.620 -9.031 3.536 1.00 22.44 N ATOM 377 CA SER A 25 -13.736 -8.990 4.474 1.00 41.30 C ATOM 378 C SER A 25 -14.025 -7.557 4.911 1.00 52.22 C ATOM 379 O SER A 25 -13.160 -6.685 4.828 1.00 75.43 O ATOM 380 CB SER A 25 -13.434 -9.857 5.698 1.00 52.13 C ATOM 381 OG SER A 25 -13.881 -11.188 5.502 1.00 2.55 O ATOM 0 H SER A 25 -11.703 -9.106 3.975 1.00 22.44 H new ATOM 0 HA SER A 25 -14.618 -9.383 3.968 1.00 41.30 H new ATOM 0 HB2 SER A 25 -12.362 -9.855 5.894 1.00 52.13 H new ATOM 0 HB3 SER A 25 -13.919 -9.433 6.577 1.00 52.13 H new ATOM 0 HG SER A 25 -13.675 -11.723 6.297 1.00 2.55 H new ATOM 387 N GLU A 26 -15.248 -7.322 5.376 1.00 31.23 N ATOM 388 CA GLU A 26 -15.652 -5.995 5.825 1.00 31.05 C ATOM 389 C GLU A 26 -14.751 -5.505 6.955 1.00 23.22 C ATOM 390 O GLU A 26 -14.531 -4.304 7.112 1.00 60.02 O ATOM 391 CB GLU A 26 -17.109 -6.012 6.292 1.00 53.22 C ATOM 392 CG GLU A 26 -18.045 -5.222 5.392 1.00 34.43 C ATOM 393 CD GLU A 26 -19.505 -5.424 5.749 1.00 74.31 C ATOM 394 OE1 GLU A 26 -19.937 -4.906 6.799 1.00 14.52 O ATOM 395 OE2 GLU A 26 -20.216 -6.101 4.976 1.00 21.45 O ATOM 0 H GLU A 26 -15.976 -8.033 5.452 1.00 31.23 H new ATOM 0 HA GLU A 26 -15.555 -5.310 4.983 1.00 31.05 H new ATOM 0 HB2 GLU A 26 -17.453 -7.045 6.343 1.00 53.22 H new ATOM 0 HB3 GLU A 26 -17.163 -5.607 7.303 1.00 53.22 H new ATOM 0 HG2 GLU A 26 -17.801 -4.162 5.461 1.00 34.43 H new ATOM 0 HG3 GLU A 26 -17.884 -5.519 4.356 1.00 34.43 H new ATOM 402 N ASP A 27 -14.233 -6.444 7.740 1.00 45.34 N ATOM 403 CA ASP A 27 -13.355 -6.109 8.855 1.00 65.01 C ATOM 404 C ASP A 27 -11.994 -5.636 8.352 1.00 21.44 C ATOM 405 O ASP A 27 -11.489 -4.600 8.783 1.00 70.11 O ATOM 406 CB ASP A 27 -13.180 -7.318 9.775 1.00 33.12 C ATOM 407 CG ASP A 27 -14.007 -7.206 11.041 1.00 74.22 C ATOM 408 OD1 ASP A 27 -13.747 -6.282 11.839 1.00 34.23 O ATOM 409 OD2 ASP A 27 -14.914 -8.043 11.233 1.00 33.33 O ATOM 0 H ASP A 27 -14.406 -7.443 7.625 1.00 45.34 H new ATOM 0 HA ASP A 27 -13.817 -5.298 9.418 1.00 65.01 H new ATOM 0 HB2 ASP A 27 -13.463 -8.223 9.238 1.00 33.12 H new ATOM 0 HB3 ASP A 27 -12.128 -7.420 10.040 1.00 33.12 H new ATOM 414 N GLU A 28 -11.406 -6.404 7.440 1.00 31.22 N ATOM 415 CA GLU A 28 -10.103 -6.064 6.881 1.00 1.04 C ATOM 416 C GLU A 28 -10.184 -4.787 6.050 1.00 51.10 C ATOM 417 O GLU A 28 -9.359 -3.885 6.197 1.00 53.24 O ATOM 418 CB GLU A 28 -9.577 -7.214 6.020 1.00 43.12 C ATOM 419 CG GLU A 28 -8.179 -7.671 6.402 1.00 10.24 C ATOM 420 CD GLU A 28 -8.142 -8.371 7.747 1.00 63.01 C ATOM 421 OE1 GLU A 28 -9.212 -8.506 8.376 1.00 3.32 O ATOM 422 OE2 GLU A 28 -7.042 -8.785 8.169 1.00 5.43 O ATOM 0 H GLU A 28 -11.811 -7.265 7.073 1.00 31.22 H new ATOM 0 HA GLU A 28 -9.414 -5.895 7.708 1.00 1.04 H new ATOM 0 HB2 GLU A 28 -10.261 -8.059 6.100 1.00 43.12 H new ATOM 0 HB3 GLU A 28 -9.576 -6.903 4.975 1.00 43.12 H new ATOM 0 HG2 GLU A 28 -7.799 -8.346 5.635 1.00 10.24 H new ATOM 0 HG3 GLU A 28 -7.513 -6.809 6.427 1.00 10.24 H new ATOM 429 N ARG A 29 -11.184 -4.719 5.177 1.00 43.12 N ATOM 430 CA ARG A 29 -11.372 -3.554 4.320 1.00 32.15 C ATOM 431 C ARG A 29 -11.585 -2.295 5.155 1.00 2.50 C ATOM 432 O ARG A 29 -11.129 -1.210 4.790 1.00 30.54 O ATOM 433 CB ARG A 29 -12.566 -3.768 3.388 1.00 65.25 C ATOM 434 CG ARG A 29 -12.180 -4.304 2.019 1.00 61.44 C ATOM 435 CD ARG A 29 -13.379 -4.896 1.294 1.00 41.21 C ATOM 436 NE ARG A 29 -14.165 -3.872 0.610 1.00 24.10 N ATOM 437 CZ ARG A 29 -15.276 -4.131 -0.069 1.00 55.21 C ATOM 438 NH1 ARG A 29 -15.731 -5.373 -0.154 1.00 74.32 N ATOM 439 NH2 ARG A 29 -15.936 -3.145 -0.665 1.00 31.45 N ATOM 0 H ARG A 29 -11.876 -5.456 5.044 1.00 43.12 H new ATOM 0 HA ARG A 29 -10.471 -3.425 3.721 1.00 32.15 H new ATOM 0 HB2 ARG A 29 -13.263 -4.462 3.858 1.00 65.25 H new ATOM 0 HB3 ARG A 29 -13.093 -2.822 3.263 1.00 65.25 H new ATOM 0 HG2 ARG A 29 -11.752 -3.500 1.420 1.00 61.44 H new ATOM 0 HG3 ARG A 29 -11.408 -5.065 2.130 1.00 61.44 H new ATOM 0 HD2 ARG A 29 -13.036 -5.634 0.569 1.00 41.21 H new ATOM 0 HD3 ARG A 29 -14.012 -5.421 2.009 1.00 41.21 H new ATOM 0 HE ARG A 29 -13.843 -2.905 0.657 1.00 24.10 H new ATOM 0 HH11 ARG A 29 -15.227 -6.133 0.303 1.00 74.32 H new ATOM 0 HH12 ARG A 29 -16.585 -5.569 -0.676 1.00 74.32 H new ATOM 0 HH21 ARG A 29 -15.589 -2.188 -0.601 1.00 31.45 H new ATOM 0 HH22 ARG A 29 -16.790 -3.345 -1.187 1.00 31.45 H new ATOM 453 N LYS A 30 -12.281 -2.445 6.277 1.00 43.11 N ATOM 454 CA LYS A 30 -12.554 -1.321 7.165 1.00 71.13 C ATOM 455 C LYS A 30 -11.281 -0.860 7.866 1.00 3.43 C ATOM 456 O LYS A 30 -11.082 0.334 8.093 1.00 11.11 O ATOM 457 CB LYS A 30 -13.609 -1.710 8.203 1.00 1.21 C ATOM 458 CG LYS A 30 -13.807 -0.666 9.289 1.00 21.30 C ATOM 459 CD LYS A 30 -14.872 -1.093 10.285 1.00 22.32 C ATOM 460 CE LYS A 30 -16.239 -1.203 9.627 1.00 3.11 C ATOM 461 NZ LYS A 30 -17.340 -0.890 10.580 1.00 63.12 N ATOM 0 H LYS A 30 -12.667 -3.335 6.593 1.00 43.11 H new ATOM 0 HA LYS A 30 -12.934 -0.497 6.561 1.00 71.13 H new ATOM 0 HB2 LYS A 30 -14.559 -1.880 7.697 1.00 1.21 H new ATOM 0 HB3 LYS A 30 -13.321 -2.654 8.666 1.00 1.21 H new ATOM 0 HG2 LYS A 30 -12.865 -0.500 9.811 1.00 21.30 H new ATOM 0 HG3 LYS A 30 -14.092 0.283 8.835 1.00 21.30 H new ATOM 0 HD2 LYS A 30 -14.599 -2.054 10.722 1.00 22.32 H new ATOM 0 HD3 LYS A 30 -14.917 -0.373 11.102 1.00 22.32 H new ATOM 0 HE2 LYS A 30 -16.289 -0.522 8.778 1.00 3.11 H new ATOM 0 HE3 LYS A 30 -16.373 -2.211 9.235 1.00 3.11 H new ATOM 0 HZ1 LYS A 30 -18.255 -0.976 10.094 1.00 63.12 H new ATOM 0 HZ2 LYS A 30 -17.308 -1.556 11.378 1.00 63.12 H new ATOM 0 HZ3 LYS A 30 -17.227 0.081 10.935 1.00 63.12 H new ATOM 475 N LYS A 31 -10.420 -1.813 8.207 1.00 43.54 N ATOM 476 CA LYS A 31 -9.164 -1.505 8.880 1.00 45.51 C ATOM 477 C LYS A 31 -8.276 -0.628 8.002 1.00 72.24 C ATOM 478 O LYS A 31 -7.803 0.423 8.435 1.00 63.31 O ATOM 479 CB LYS A 31 -8.425 -2.795 9.242 1.00 73.20 C ATOM 480 CG LYS A 31 -7.027 -2.563 9.789 1.00 34.40 C ATOM 481 CD LYS A 31 -5.970 -3.205 8.906 1.00 2.44 C ATOM 482 CE LYS A 31 -4.873 -3.857 9.735 1.00 54.05 C ATOM 483 NZ LYS A 31 -4.175 -2.871 10.605 1.00 32.34 N ATOM 0 H LYS A 31 -10.570 -2.806 8.028 1.00 43.54 H new ATOM 0 HA LYS A 31 -9.396 -0.958 9.794 1.00 45.51 H new ATOM 0 HB2 LYS A 31 -9.009 -3.343 9.982 1.00 73.20 H new ATOM 0 HB3 LYS A 31 -8.359 -3.427 8.356 1.00 73.20 H new ATOM 0 HG2 LYS A 31 -6.838 -1.492 9.865 1.00 34.40 H new ATOM 0 HG3 LYS A 31 -6.957 -2.971 10.797 1.00 34.40 H new ATOM 0 HD2 LYS A 31 -6.436 -3.953 8.264 1.00 2.44 H new ATOM 0 HD3 LYS A 31 -5.533 -2.450 8.252 1.00 2.44 H new ATOM 0 HE2 LYS A 31 -5.304 -4.645 10.353 1.00 54.05 H new ATOM 0 HE3 LYS A 31 -4.150 -4.332 9.072 1.00 54.05 H new ATOM 0 HZ1 LYS A 31 -3.214 -2.708 10.243 1.00 32.34 H new ATOM 0 HZ2 LYS A 31 -4.702 -1.974 10.606 1.00 32.34 H new ATOM 0 HZ3 LYS A 31 -4.121 -3.241 11.575 1.00 32.34 H new ATOM 497 N ILE A 32 -8.056 -1.066 6.767 1.00 75.44 N ATOM 498 CA ILE A 32 -7.228 -0.320 5.828 1.00 53.13 C ATOM 499 C ILE A 32 -7.880 1.007 5.454 1.00 12.13 C ATOM 500 O ILE A 32 -7.204 2.028 5.327 1.00 15.22 O ATOM 501 CB ILE A 32 -6.964 -1.128 4.544 1.00 72.52 C ATOM 502 CG1 ILE A 32 -5.882 -2.182 4.792 1.00 53.42 C ATOM 503 CG2 ILE A 32 -6.558 -0.201 3.408 1.00 32.31 C ATOM 504 CD1 ILE A 32 -5.646 -3.095 3.609 1.00 20.15 C ATOM 0 H ILE A 32 -8.440 -1.934 6.393 1.00 75.44 H new ATOM 0 HA ILE A 32 -6.279 -0.128 6.329 1.00 53.13 H new ATOM 0 HB ILE A 32 -7.884 -1.639 4.258 1.00 72.52 H new ATOM 0 HG12 ILE A 32 -4.948 -1.680 5.045 1.00 53.42 H new ATOM 0 HG13 ILE A 32 -6.164 -2.785 5.655 1.00 53.42 H new ATOM 0 HG21 ILE A 32 -6.375 -0.787 2.508 1.00 32.31 H new ATOM 0 HG22 ILE A 32 -7.358 0.514 3.219 1.00 32.31 H new ATOM 0 HG23 ILE A 32 -5.650 0.335 3.683 1.00 32.31 H new ATOM 0 HD11 ILE A 32 -4.867 -3.816 3.856 1.00 20.15 H new ATOM 0 HD12 ILE A 32 -6.568 -3.625 3.369 1.00 20.15 H new ATOM 0 HD13 ILE A 32 -5.333 -2.503 2.749 1.00 20.15 H new ATOM 516 N ARG A 33 -9.198 0.985 5.282 1.00 62.13 N ATOM 517 CA ARG A 33 -9.942 2.186 4.924 1.00 43.54 C ATOM 518 C ARG A 33 -10.012 3.154 6.102 1.00 73.43 C ATOM 519 O ARG A 33 -10.240 4.350 5.923 1.00 45.23 O ATOM 520 CB ARG A 33 -11.355 1.820 4.466 1.00 64.24 C ATOM 521 CG ARG A 33 -12.180 3.016 4.021 1.00 34.13 C ATOM 522 CD ARG A 33 -13.298 2.601 3.077 1.00 43.55 C ATOM 523 NE ARG A 33 -14.379 1.913 3.776 1.00 23.42 N ATOM 524 CZ ARG A 33 -15.319 2.539 4.474 1.00 11.43 C ATOM 525 NH1 ARG A 33 -15.311 3.862 4.565 1.00 54.12 N ATOM 526 NH2 ARG A 33 -16.270 1.843 5.083 1.00 33.22 N ATOM 0 H ARG A 33 -9.772 0.148 5.385 1.00 62.13 H new ATOM 0 HA ARG A 33 -9.418 2.676 4.104 1.00 43.54 H new ATOM 0 HB2 ARG A 33 -11.288 1.109 3.643 1.00 64.24 H new ATOM 0 HB3 ARG A 33 -11.873 1.315 5.282 1.00 64.24 H new ATOM 0 HG2 ARG A 33 -12.605 3.512 4.894 1.00 34.13 H new ATOM 0 HG3 ARG A 33 -11.534 3.741 3.526 1.00 34.13 H new ATOM 0 HD2 ARG A 33 -13.695 3.484 2.576 1.00 43.55 H new ATOM 0 HD3 ARG A 33 -12.895 1.949 2.302 1.00 43.55 H new ATOM 0 HE ARG A 33 -14.414 0.895 3.725 1.00 23.42 H new ATOM 0 HH11 ARG A 33 -14.582 4.401 4.098 1.00 54.12 H new ATOM 0 HH12 ARG A 33 -16.034 4.341 5.102 1.00 54.12 H new ATOM 0 HH21 ARG A 33 -16.280 0.825 5.015 1.00 33.22 H new ATOM 0 HH22 ARG A 33 -16.991 2.326 5.619 1.00 33.22 H new ATOM 540 N ASP A 34 -9.817 2.627 7.305 1.00 23.44 N ATOM 541 CA ASP A 34 -9.858 3.443 8.513 1.00 25.22 C ATOM 542 C ASP A 34 -8.449 3.808 8.970 1.00 24.22 C ATOM 543 O ASP A 34 -8.260 4.359 10.055 1.00 3.24 O ATOM 544 CB ASP A 34 -10.594 2.702 9.631 1.00 65.35 C ATOM 545 CG ASP A 34 -10.845 3.580 10.840 1.00 12.31 C ATOM 546 OD1 ASP A 34 -11.644 4.533 10.726 1.00 55.34 O ATOM 547 OD2 ASP A 34 -10.243 3.315 11.901 1.00 35.44 O ATOM 0 H ASP A 34 -9.629 1.638 7.470 1.00 23.44 H new ATOM 0 HA ASP A 34 -10.396 4.363 8.282 1.00 25.22 H new ATOM 0 HB2 ASP A 34 -11.546 2.331 9.251 1.00 65.35 H new ATOM 0 HB3 ASP A 34 -10.010 1.832 9.932 1.00 65.35 H new ATOM 552 N LEU A 35 -7.462 3.496 8.137 1.00 55.15 N ATOM 553 CA LEU A 35 -6.070 3.790 8.455 1.00 44.30 C ATOM 554 C LEU A 35 -5.829 5.296 8.507 1.00 71.31 C ATOM 555 O LEU A 35 -6.599 6.091 7.968 1.00 41.02 O ATOM 556 CB LEU A 35 -5.143 3.150 7.420 1.00 20.31 C ATOM 557 CG LEU A 35 -4.790 1.680 7.653 1.00 13.24 C ATOM 558 CD1 LEU A 35 -4.018 1.122 6.468 1.00 74.10 C ATOM 559 CD2 LEU A 35 -3.988 1.521 8.937 1.00 55.51 C ATOM 0 H LEU A 35 -7.601 3.039 7.236 1.00 55.15 H new ATOM 0 HA LEU A 35 -5.852 3.371 9.437 1.00 44.30 H new ATOM 0 HB2 LEU A 35 -5.610 3.240 6.439 1.00 20.31 H new ATOM 0 HB3 LEU A 35 -4.217 3.724 7.386 1.00 20.31 H new ATOM 0 HG LEU A 35 -5.717 1.116 7.755 1.00 13.24 H new ATOM 0 HD11 LEU A 35 -3.776 0.075 6.652 1.00 74.10 H new ATOM 0 HD12 LEU A 35 -4.627 1.201 5.567 1.00 74.10 H new ATOM 0 HD13 LEU A 35 -3.097 1.689 6.334 1.00 74.10 H new ATOM 0 HD21 LEU A 35 -3.746 0.469 9.087 1.00 55.51 H new ATOM 0 HD22 LEU A 35 -3.067 2.099 8.864 1.00 55.51 H new ATOM 0 HD23 LEU A 35 -4.577 1.881 9.781 1.00 55.51 H new ATOM 571 N PRO A 36 -4.734 5.698 9.169 1.00 33.23 N ATOM 572 CA PRO A 36 -4.365 7.110 9.305 1.00 72.01 C ATOM 573 C PRO A 36 -3.909 7.720 7.984 1.00 73.53 C ATOM 574 O PRO A 36 -2.920 7.282 7.396 1.00 24.43 O ATOM 575 CB PRO A 36 -3.209 7.080 10.307 1.00 24.42 C ATOM 576 CG PRO A 36 -2.624 5.717 10.169 1.00 24.53 C ATOM 577 CD PRO A 36 -3.772 4.805 9.836 1.00 20.33 C ATOM 0 HA PRO A 36 -5.208 7.722 9.625 1.00 72.01 H new ATOM 0 HB2 PRO A 36 -2.472 7.852 10.084 1.00 24.42 H new ATOM 0 HB3 PRO A 36 -3.561 7.259 11.323 1.00 24.42 H new ATOM 0 HG2 PRO A 36 -1.868 5.695 9.384 1.00 24.53 H new ATOM 0 HG3 PRO A 36 -2.135 5.407 11.092 1.00 24.53 H new ATOM 0 HD2 PRO A 36 -3.461 3.990 9.183 1.00 20.33 H new ATOM 0 HD3 PRO A 36 -4.198 4.352 10.731 1.00 20.33 H new ATOM 585 N ILE A 37 -4.636 8.731 7.522 1.00 13.41 N ATOM 586 CA ILE A 37 -4.305 9.401 6.271 1.00 43.41 C ATOM 587 C ILE A 37 -3.010 10.197 6.400 1.00 53.23 C ATOM 588 O ILE A 37 -2.242 10.311 5.445 1.00 51.53 O ATOM 589 CB ILE A 37 -5.434 10.348 5.823 1.00 42.12 C ATOM 590 CG1 ILE A 37 -5.845 11.268 6.974 1.00 32.45 C ATOM 591 CG2 ILE A 37 -6.628 9.549 5.323 1.00 31.03 C ATOM 592 CD1 ILE A 37 -6.827 12.344 6.567 1.00 32.33 C ATOM 0 H ILE A 37 -5.459 9.104 7.996 1.00 13.41 H new ATOM 0 HA ILE A 37 -4.177 8.622 5.520 1.00 43.41 H new ATOM 0 HB ILE A 37 -5.066 10.966 5.004 1.00 42.12 H new ATOM 0 HG12 ILE A 37 -6.286 10.667 7.769 1.00 32.45 H new ATOM 0 HG13 ILE A 37 -4.953 11.739 7.388 1.00 32.45 H new ATOM 0 HG21 ILE A 37 -7.418 10.232 5.010 1.00 31.03 H new ATOM 0 HG22 ILE A 37 -6.325 8.933 4.477 1.00 31.03 H new ATOM 0 HG23 ILE A 37 -6.998 8.909 6.124 1.00 31.03 H new ATOM 0 HD11 ILE A 37 -7.073 12.958 7.433 1.00 32.33 H new ATOM 0 HD12 ILE A 37 -6.381 12.970 5.794 1.00 32.33 H new ATOM 0 HD13 ILE A 37 -7.735 11.881 6.181 1.00 32.33 H new ATOM 604 N SER A 38 -2.774 10.744 7.588 1.00 53.52 N ATOM 605 CA SER A 38 -1.573 11.532 7.842 1.00 74.41 C ATOM 606 C SER A 38 -0.327 10.653 7.789 1.00 41.41 C ATOM 607 O SER A 38 0.784 11.144 7.583 1.00 22.21 O ATOM 608 CB SER A 38 -1.668 12.220 9.205 1.00 52.44 C ATOM 609 OG SER A 38 -2.633 13.258 9.186 1.00 72.04 O ATOM 0 H SER A 38 -3.398 10.656 8.390 1.00 53.52 H new ATOM 0 HA SER A 38 -1.495 12.292 7.064 1.00 74.41 H new ATOM 0 HB2 SER A 38 -1.932 11.488 9.968 1.00 52.44 H new ATOM 0 HB3 SER A 38 -0.695 12.629 9.478 1.00 52.44 H new ATOM 0 HG SER A 38 -2.676 13.681 10.069 1.00 72.04 H new ATOM 615 N LEU A 39 -0.519 9.352 7.976 1.00 54.40 N ATOM 616 CA LEU A 39 0.588 8.404 7.950 1.00 64.42 C ATOM 617 C LEU A 39 1.087 8.188 6.525 1.00 62.05 C ATOM 618 O LEU A 39 2.261 7.887 6.305 1.00 13.21 O ATOM 619 CB LEU A 39 0.157 7.068 8.559 1.00 54.44 C ATOM 620 CG LEU A 39 1.206 6.345 9.403 1.00 63.22 C ATOM 621 CD1 LEU A 39 0.551 5.637 10.578 1.00 33.22 C ATOM 622 CD2 LEU A 39 1.987 5.355 8.550 1.00 41.51 C ATOM 0 H LEU A 39 -1.432 8.930 8.147 1.00 54.40 H new ATOM 0 HA LEU A 39 1.403 8.820 8.542 1.00 64.42 H new ATOM 0 HB2 LEU A 39 -0.722 7.241 9.179 1.00 54.44 H new ATOM 0 HB3 LEU A 39 -0.149 6.405 7.750 1.00 54.44 H new ATOM 0 HG LEU A 39 1.903 7.086 9.795 1.00 63.22 H new ATOM 0 HD11 LEU A 39 1.314 5.128 11.167 1.00 33.22 H new ATOM 0 HD12 LEU A 39 0.038 6.368 11.203 1.00 33.22 H new ATOM 0 HD13 LEU A 39 -0.169 4.907 10.208 1.00 33.22 H new ATOM 0 HD21 LEU A 39 2.730 4.849 9.167 1.00 41.51 H new ATOM 0 HD22 LEU A 39 1.303 4.618 8.129 1.00 41.51 H new ATOM 0 HD23 LEU A 39 2.489 5.887 7.742 1.00 41.51 H new ATOM 634 N PHE A 40 0.188 8.346 5.558 1.00 24.35 N ATOM 635 CA PHE A 40 0.537 8.170 4.154 1.00 62.45 C ATOM 636 C PHE A 40 0.177 9.412 3.344 1.00 64.11 C ATOM 637 O PHE A 40 -0.996 9.756 3.204 1.00 74.05 O ATOM 638 CB PHE A 40 -0.179 6.946 3.578 1.00 53.54 C ATOM 639 CG PHE A 40 -0.237 5.783 4.526 1.00 3.54 C ATOM 640 CD1 PHE A 40 -1.268 5.672 5.444 1.00 34.45 C ATOM 641 CD2 PHE A 40 0.741 4.802 4.500 1.00 73.22 C ATOM 642 CE1 PHE A 40 -1.323 4.603 6.319 1.00 20.11 C ATOM 643 CE2 PHE A 40 0.691 3.730 5.372 1.00 42.43 C ATOM 644 CZ PHE A 40 -0.343 3.630 6.282 1.00 43.51 C ATOM 0 H PHE A 40 -0.787 8.596 5.722 1.00 24.35 H new ATOM 0 HA PHE A 40 1.614 8.016 4.090 1.00 62.45 H new ATOM 0 HB2 PHE A 40 -1.194 7.227 3.299 1.00 53.54 H new ATOM 0 HB3 PHE A 40 0.328 6.635 2.665 1.00 53.54 H new ATOM 0 HD1 PHE A 40 -2.038 6.429 5.477 1.00 34.45 H new ATOM 0 HD2 PHE A 40 1.552 4.875 3.790 1.00 73.22 H new ATOM 0 HE1 PHE A 40 -2.132 4.529 7.031 1.00 20.11 H new ATOM 0 HE2 PHE A 40 1.460 2.972 5.341 1.00 42.43 H new ATOM 0 HZ PHE A 40 -0.385 2.793 6.963 1.00 43.51 H new ATOM 654 N ASP A 41 1.196 10.081 2.814 1.00 35.32 N ATOM 655 CA ASP A 41 0.988 11.285 2.018 1.00 70.30 C ATOM 656 C ASP A 41 -0.012 11.028 0.895 1.00 15.03 C ATOM 657 O ASP A 41 -0.715 11.939 0.456 1.00 62.23 O ATOM 658 CB ASP A 41 2.315 11.771 1.434 1.00 63.32 C ATOM 659 CG ASP A 41 3.117 12.594 2.423 1.00 35.22 C ATOM 660 OD1 ASP A 41 2.520 13.466 3.088 1.00 5.25 O ATOM 661 OD2 ASP A 41 4.340 12.366 2.532 1.00 51.23 O ATOM 0 H ASP A 41 2.173 9.810 2.921 1.00 35.32 H new ATOM 0 HA ASP A 41 0.583 12.057 2.672 1.00 70.30 H new ATOM 0 HB2 ASP A 41 2.906 10.911 1.118 1.00 63.32 H new ATOM 0 HB3 ASP A 41 2.119 12.368 0.543 1.00 63.32 H new ATOM 666 N TYR A 42 -0.071 9.783 0.435 1.00 1.33 N ATOM 667 CA TYR A 42 -0.983 9.407 -0.639 1.00 3.43 C ATOM 668 C TYR A 42 -1.630 8.055 -0.355 1.00 53.54 C ATOM 669 O TYR A 42 -0.943 7.059 -0.133 1.00 65.33 O ATOM 670 CB TYR A 42 -0.239 9.359 -1.974 1.00 44.13 C ATOM 671 CG TYR A 42 -1.105 8.925 -3.135 1.00 20.53 C ATOM 672 CD1 TYR A 42 -2.452 9.262 -3.186 1.00 31.43 C ATOM 673 CD2 TYR A 42 -0.577 8.176 -4.180 1.00 11.25 C ATOM 674 CE1 TYR A 42 -3.248 8.866 -4.244 1.00 2.25 C ATOM 675 CE2 TYR A 42 -1.365 7.778 -5.242 1.00 60.20 C ATOM 676 CZ TYR A 42 -2.700 8.125 -5.269 1.00 64.04 C ATOM 677 OH TYR A 42 -3.488 7.729 -6.325 1.00 70.23 O ATOM 0 H TYR A 42 0.502 9.017 0.789 1.00 1.33 H new ATOM 0 HA TYR A 42 -1.769 10.161 -0.696 1.00 3.43 H new ATOM 0 HB2 TYR A 42 0.172 10.346 -2.187 1.00 44.13 H new ATOM 0 HB3 TYR A 42 0.605 8.675 -1.886 1.00 44.13 H new ATOM 0 HD1 TYR A 42 -2.884 9.843 -2.385 1.00 31.43 H new ATOM 0 HD2 TYR A 42 0.467 7.901 -4.161 1.00 11.25 H new ATOM 0 HE1 TYR A 42 -4.294 9.136 -4.268 1.00 2.25 H new ATOM 0 HE2 TYR A 42 -0.938 7.198 -6.047 1.00 60.20 H new ATOM 0 HH TYR A 42 -4.323 8.241 -6.320 1.00 70.23 H new ATOM 687 N PHE A 43 -2.959 8.030 -0.365 1.00 61.45 N ATOM 688 CA PHE A 43 -3.702 6.801 -0.110 1.00 24.05 C ATOM 689 C PHE A 43 -4.804 6.606 -1.146 1.00 53.00 C ATOM 690 O PHE A 43 -5.746 7.396 -1.222 1.00 44.34 O ATOM 691 CB PHE A 43 -4.306 6.829 1.296 1.00 72.22 C ATOM 692 CG PHE A 43 -4.306 5.489 1.975 1.00 1.21 C ATOM 693 CD1 PHE A 43 -4.268 4.321 1.232 1.00 62.32 C ATOM 694 CD2 PHE A 43 -4.344 5.399 3.357 1.00 32.33 C ATOM 695 CE1 PHE A 43 -4.267 3.086 1.854 1.00 50.32 C ATOM 696 CE2 PHE A 43 -4.343 4.167 3.985 1.00 52.32 C ATOM 697 CZ PHE A 43 -4.306 3.010 3.232 1.00 22.32 C ATOM 0 H PHE A 43 -3.543 8.846 -0.547 1.00 61.45 H new ATOM 0 HA PHE A 43 -3.008 5.964 -0.184 1.00 24.05 H new ATOM 0 HB2 PHE A 43 -3.748 7.538 1.908 1.00 72.22 H new ATOM 0 HB3 PHE A 43 -5.330 7.197 1.236 1.00 72.22 H new ATOM 0 HD1 PHE A 43 -4.239 4.375 0.154 1.00 62.32 H new ATOM 0 HD2 PHE A 43 -4.375 6.301 3.950 1.00 32.33 H new ATOM 0 HE1 PHE A 43 -4.236 2.183 1.263 1.00 50.32 H new ATOM 0 HE2 PHE A 43 -4.371 4.110 5.063 1.00 52.32 H new ATOM 0 HZ PHE A 43 -4.308 2.047 3.720 1.00 22.32 H new ATOM 707 N ILE A 44 -4.680 5.549 -1.942 1.00 2.23 N ATOM 708 CA ILE A 44 -5.665 5.250 -2.973 1.00 73.11 C ATOM 709 C ILE A 44 -5.990 3.760 -3.008 1.00 3.32 C ATOM 710 O ILE A 44 -5.120 2.930 -3.272 1.00 3.30 O ATOM 711 CB ILE A 44 -5.175 5.689 -4.365 1.00 45.42 C ATOM 712 CG1 ILE A 44 -6.120 5.170 -5.451 1.00 2.44 C ATOM 713 CG2 ILE A 44 -3.757 5.193 -4.608 1.00 50.21 C ATOM 714 CD1 ILE A 44 -6.454 6.203 -6.505 1.00 34.54 C ATOM 0 H ILE A 44 -3.907 4.886 -1.892 1.00 2.23 H new ATOM 0 HA ILE A 44 -6.565 5.810 -2.720 1.00 73.11 H new ATOM 0 HB ILE A 44 -5.170 6.778 -4.405 1.00 45.42 H new ATOM 0 HG12 ILE A 44 -5.666 4.304 -5.933 1.00 2.44 H new ATOM 0 HG13 ILE A 44 -7.043 4.827 -4.984 1.00 2.44 H new ATOM 0 HG21 ILE A 44 -3.425 5.511 -5.596 1.00 50.21 H new ATOM 0 HG22 ILE A 44 -3.092 5.607 -3.850 1.00 50.21 H new ATOM 0 HG23 ILE A 44 -3.738 4.105 -4.552 1.00 50.21 H new ATOM 0 HD11 ILE A 44 -7.128 5.766 -7.242 1.00 34.54 H new ATOM 0 HD12 ILE A 44 -6.937 7.060 -6.035 1.00 34.54 H new ATOM 0 HD13 ILE A 44 -5.538 6.529 -6.998 1.00 34.54 H new ATOM 726 N VAL A 45 -7.249 3.428 -2.741 1.00 2.12 N ATOM 727 CA VAL A 45 -7.690 2.038 -2.744 1.00 40.41 C ATOM 728 C VAL A 45 -8.844 1.831 -3.718 1.00 73.41 C ATOM 729 O VAL A 45 -9.701 2.700 -3.877 1.00 24.43 O ATOM 730 CB VAL A 45 -8.130 1.586 -1.339 1.00 73.13 C ATOM 731 CG1 VAL A 45 -8.054 0.072 -1.217 1.00 62.44 C ATOM 732 CG2 VAL A 45 -7.280 2.258 -0.272 1.00 43.54 C ATOM 0 H VAL A 45 -7.982 4.102 -2.520 1.00 2.12 H new ATOM 0 HA VAL A 45 -6.839 1.436 -3.061 1.00 40.41 H new ATOM 0 HB VAL A 45 -9.167 1.887 -1.188 1.00 73.13 H new ATOM 0 HG11 VAL A 45 -8.369 -0.229 -0.218 1.00 62.44 H new ATOM 0 HG12 VAL A 45 -8.710 -0.386 -1.957 1.00 62.44 H new ATOM 0 HG13 VAL A 45 -7.029 -0.256 -1.389 1.00 62.44 H new ATOM 0 HG21 VAL A 45 -7.605 1.927 0.714 1.00 43.54 H new ATOM 0 HG22 VAL A 45 -6.234 1.990 -0.418 1.00 43.54 H new ATOM 0 HG23 VAL A 45 -7.391 3.340 -0.346 1.00 43.54 H new ATOM 742 N GLY A 46 -8.861 0.671 -4.369 1.00 12.21 N ATOM 743 CA GLY A 46 -9.915 0.369 -5.319 1.00 54.35 C ATOM 744 C GLY A 46 -10.426 -1.052 -5.187 1.00 11.41 C ATOM 745 O GLY A 46 -9.642 -1.988 -5.041 1.00 23.33 O ATOM 0 H GLY A 46 -8.163 -0.064 -4.255 1.00 12.21 H new ATOM 0 HA2 GLY A 46 -10.742 1.064 -5.173 1.00 54.35 H new ATOM 0 HA3 GLY A 46 -9.543 0.525 -6.332 1.00 54.35 H new ATOM 749 N GLU A 47 -11.745 -1.212 -5.236 1.00 41.05 N ATOM 750 CA GLU A 47 -12.359 -2.529 -5.118 1.00 64.41 C ATOM 751 C GLU A 47 -12.642 -3.123 -6.495 1.00 33.10 C ATOM 752 O GLU A 47 -13.169 -2.446 -7.377 1.00 44.12 O ATOM 753 CB GLU A 47 -13.656 -2.442 -4.311 1.00 43.33 C ATOM 754 CG GLU A 47 -14.284 -3.794 -4.020 1.00 23.24 C ATOM 755 CD GLU A 47 -13.439 -4.640 -3.087 1.00 34.44 C ATOM 756 OE1 GLU A 47 -12.519 -4.084 -2.451 1.00 54.13 O ATOM 757 OE2 GLU A 47 -13.698 -5.858 -2.992 1.00 31.31 O ATOM 0 H GLU A 47 -12.408 -0.446 -5.357 1.00 41.05 H new ATOM 0 HA GLU A 47 -11.659 -3.182 -4.597 1.00 64.41 H new ATOM 0 HB2 GLU A 47 -13.454 -1.934 -3.368 1.00 43.33 H new ATOM 0 HB3 GLU A 47 -14.373 -1.828 -4.856 1.00 43.33 H new ATOM 0 HG2 GLU A 47 -15.269 -3.645 -3.578 1.00 23.24 H new ATOM 0 HG3 GLU A 47 -14.433 -4.331 -4.957 1.00 23.24 H new ATOM 875 N PRO A 56 -14.823 -10.860 -5.119 1.00 63.30 N ATOM 876 CA PRO A 56 -14.297 -9.550 -4.725 1.00 50.34 C ATOM 877 C PRO A 56 -12.822 -9.608 -4.344 1.00 42.41 C ATOM 878 O PRO A 56 -12.384 -10.529 -3.655 1.00 20.42 O ATOM 879 CB PRO A 56 -15.149 -9.176 -3.510 1.00 32.20 C ATOM 880 CG PRO A 56 -15.604 -10.480 -2.951 1.00 22.11 C ATOM 881 CD PRO A 56 -15.769 -11.401 -4.128 1.00 41.44 C ATOM 0 HA PRO A 56 -14.352 -8.828 -5.539 1.00 50.34 H new ATOM 0 HB2 PRO A 56 -14.570 -8.612 -2.779 1.00 32.20 H new ATOM 0 HB3 PRO A 56 -15.995 -8.551 -3.797 1.00 32.20 H new ATOM 0 HG2 PRO A 56 -14.875 -10.877 -2.244 1.00 22.11 H new ATOM 0 HG3 PRO A 56 -16.543 -10.366 -2.410 1.00 22.11 H new ATOM 0 HD2 PRO A 56 -15.532 -12.433 -3.868 1.00 41.44 H new ATOM 0 HD3 PRO A 56 -16.792 -11.394 -4.504 1.00 41.44 H new ATOM 889 N HIS A 57 -12.059 -8.617 -4.796 1.00 71.13 N ATOM 890 CA HIS A 57 -10.632 -8.555 -4.501 1.00 60.21 C ATOM 891 C HIS A 57 -10.200 -7.122 -4.207 1.00 2.04 C ATOM 892 O HIS A 57 -10.648 -6.180 -4.862 1.00 62.21 O ATOM 893 CB HIS A 57 -9.823 -9.114 -5.672 1.00 2.11 C ATOM 894 CG HIS A 57 -8.344 -8.939 -5.515 1.00 44.44 C ATOM 895 ND1 HIS A 57 -7.512 -9.936 -5.052 1.00 34.24 N ATOM 896 CD2 HIS A 57 -7.547 -7.873 -5.766 1.00 20.40 C ATOM 897 CE1 HIS A 57 -6.269 -9.492 -5.022 1.00 3.31 C ATOM 898 NE2 HIS A 57 -6.262 -8.243 -5.451 1.00 14.40 N ATOM 0 H HIS A 57 -12.405 -7.846 -5.368 1.00 71.13 H new ATOM 0 HA HIS A 57 -10.442 -9.162 -3.616 1.00 60.21 H new ATOM 0 HB2 HIS A 57 -10.045 -10.175 -5.783 1.00 2.11 H new ATOM 0 HB3 HIS A 57 -10.143 -8.624 -6.591 1.00 2.11 H new ATOM 0 HD1 HIS A 57 -7.810 -10.871 -4.776 1.00 34.24 H new ATOM 0 HD2 HIS A 57 -7.863 -6.912 -6.143 1.00 20.40 H new ATOM 0 HE1 HIS A 57 -5.405 -10.055 -4.701 1.00 3.31 H new ATOM 906 N LEU A 58 -9.328 -6.964 -3.217 1.00 0.31 N ATOM 907 CA LEU A 58 -8.835 -5.645 -2.835 1.00 15.23 C ATOM 908 C LEU A 58 -7.526 -5.325 -3.548 1.00 3.11 C ATOM 909 O LEU A 58 -6.625 -6.161 -3.615 1.00 51.12 O ATOM 910 CB LEU A 58 -8.635 -5.573 -1.320 1.00 14.32 C ATOM 911 CG LEU A 58 -9.236 -4.353 -0.621 1.00 10.42 C ATOM 912 CD1 LEU A 58 -8.852 -4.338 0.851 1.00 55.13 C ATOM 913 CD2 LEU A 58 -8.784 -3.070 -1.304 1.00 74.24 C ATOM 0 H LEU A 58 -8.948 -7.733 -2.664 1.00 0.31 H new ATOM 0 HA LEU A 58 -9.579 -4.906 -3.133 1.00 15.23 H new ATOM 0 HB2 LEU A 58 -9.064 -6.470 -0.874 1.00 14.32 H new ATOM 0 HB3 LEU A 58 -7.565 -5.595 -1.113 1.00 14.32 H new ATOM 0 HG LEU A 58 -10.322 -4.416 -0.692 1.00 10.42 H new ATOM 0 HD11 LEU A 58 -9.289 -3.463 1.332 1.00 55.13 H new ATOM 0 HD12 LEU A 58 -9.225 -5.241 1.334 1.00 55.13 H new ATOM 0 HD13 LEU A 58 -7.767 -4.299 0.944 1.00 55.13 H new ATOM 0 HD21 LEU A 58 -9.221 -2.212 -0.793 1.00 74.24 H new ATOM 0 HD22 LEU A 58 -7.697 -3.000 -1.264 1.00 74.24 H new ATOM 0 HD23 LEU A 58 -9.109 -3.077 -2.344 1.00 74.24 H new ATOM 925 N GLN A 59 -7.427 -4.109 -4.076 1.00 72.45 N ATOM 926 CA GLN A 59 -6.226 -3.679 -4.783 1.00 75.31 C ATOM 927 C GLN A 59 -6.059 -2.166 -4.700 1.00 3.31 C ATOM 928 O GLN A 59 -6.853 -1.411 -5.260 1.00 64.34 O ATOM 929 CB GLN A 59 -6.286 -4.118 -6.247 1.00 51.13 C ATOM 930 CG GLN A 59 -5.206 -3.492 -7.114 1.00 41.25 C ATOM 931 CD GLN A 59 -3.810 -3.917 -6.705 1.00 44.21 C ATOM 932 OE1 GLN A 59 -3.226 -3.196 -5.755 1.00 13.22 O flip ATOM 933 NE2 GLN A 59 -3.261 -4.883 -7.237 1.00 45.33 N flip ATOM 0 H GLN A 59 -8.163 -3.405 -4.028 1.00 72.45 H new ATOM 0 HA GLN A 59 -5.366 -4.148 -4.306 1.00 75.31 H new ATOM 0 HB2 GLN A 59 -6.196 -5.203 -6.296 1.00 51.13 H new ATOM 0 HB3 GLN A 59 -7.263 -3.860 -6.655 1.00 51.13 H new ATOM 0 HG2 GLN A 59 -5.375 -3.768 -8.155 1.00 41.25 H new ATOM 0 HG3 GLN A 59 -5.283 -2.406 -7.056 1.00 41.25 H new ATOM 0 HE21 GLN A 59 -3.747 -5.409 -7.963 1.00 45.33 H new ATOM 0 HE22 GLN A 59 -2.321 -5.157 -6.951 1.00 45.33 H new ATOM 942 N GLY A 60 -5.019 -1.728 -3.995 1.00 73.05 N ATOM 943 CA GLY A 60 -4.767 -0.306 -3.851 1.00 64.34 C ATOM 944 C GLY A 60 -3.305 -0.001 -3.590 1.00 51.31 C ATOM 945 O GLY A 60 -2.493 -0.911 -3.426 1.00 64.13 O ATOM 0 H GLY A 60 -4.347 -2.332 -3.522 1.00 73.05 H new ATOM 0 HA2 GLY A 60 -5.087 0.210 -4.756 1.00 64.34 H new ATOM 0 HA3 GLY A 60 -5.369 0.086 -3.031 1.00 64.34 H new ATOM 949 N PHE A 61 -2.968 1.284 -3.553 1.00 15.34 N ATOM 950 CA PHE A 61 -1.594 1.708 -3.312 1.00 61.23 C ATOM 951 C PHE A 61 -1.539 2.798 -2.246 1.00 32.11 C ATOM 952 O PHE A 61 -2.392 3.684 -2.205 1.00 42.30 O ATOM 953 CB PHE A 61 -0.960 2.215 -4.609 1.00 41.02 C ATOM 954 CG PHE A 61 0.314 2.981 -4.394 1.00 51.30 C ATOM 955 CD1 PHE A 61 1.406 2.379 -3.791 1.00 4.32 C ATOM 956 CD2 PHE A 61 0.419 4.303 -4.796 1.00 10.25 C ATOM 957 CE1 PHE A 61 2.579 3.082 -3.591 1.00 4.50 C ATOM 958 CE2 PHE A 61 1.590 5.011 -4.599 1.00 14.33 C ATOM 959 CZ PHE A 61 2.672 4.400 -3.997 1.00 35.45 C ATOM 0 H PHE A 61 -3.628 2.050 -3.687 1.00 15.34 H new ATOM 0 HA PHE A 61 -1.032 0.846 -2.953 1.00 61.23 H new ATOM 0 HB2 PHE A 61 -0.758 1.366 -5.262 1.00 41.02 H new ATOM 0 HB3 PHE A 61 -1.675 2.853 -5.128 1.00 41.02 H new ATOM 0 HD1 PHE A 61 1.340 1.349 -3.474 1.00 4.32 H new ATOM 0 HD2 PHE A 61 -0.424 4.786 -5.269 1.00 10.25 H new ATOM 0 HE1 PHE A 61 3.423 2.602 -3.118 1.00 4.50 H new ATOM 0 HE2 PHE A 61 1.658 6.041 -4.916 1.00 14.33 H new ATOM 0 HZ PHE A 61 3.589 4.950 -3.844 1.00 35.45 H new ATOM 969 N ALA A 62 -0.530 2.724 -1.384 1.00 51.22 N ATOM 970 CA ALA A 62 -0.362 3.704 -0.318 1.00 55.45 C ATOM 971 C ALA A 62 1.088 4.166 -0.220 1.00 74.03 C ATOM 972 O ALA A 62 2.001 3.351 -0.098 1.00 0.24 O ATOM 973 CB ALA A 62 -0.825 3.124 1.010 1.00 42.11 C ATOM 0 H ALA A 62 0.183 1.995 -1.403 1.00 51.22 H new ATOM 0 HA ALA A 62 -0.976 4.572 -0.556 1.00 55.45 H new ATOM 0 HB1 ALA A 62 -0.694 3.867 1.797 1.00 42.11 H new ATOM 0 HB2 ALA A 62 -1.878 2.851 0.941 1.00 42.11 H new ATOM 0 HB3 ALA A 62 -0.235 2.238 1.245 1.00 42.11 H new ATOM 979 N ASN A 63 1.291 5.478 -0.276 1.00 1.22 N ATOM 980 CA ASN A 63 2.631 6.048 -0.194 1.00 61.03 C ATOM 981 C ASN A 63 3.003 6.359 1.252 1.00 21.53 C ATOM 982 O ASN A 63 2.391 7.214 1.892 1.00 31.12 O ATOM 983 CB ASN A 63 2.719 7.320 -1.040 1.00 2.23 C ATOM 984 CG ASN A 63 4.130 7.873 -1.106 1.00 54.55 C ATOM 985 OD1 ASN A 63 4.788 8.051 -0.081 1.00 52.14 O ATOM 986 ND2 ASN A 63 4.600 8.149 -2.317 1.00 41.13 N ATOM 0 H ASN A 63 0.545 6.166 -0.378 1.00 1.22 H new ATOM 0 HA ASN A 63 3.336 5.312 -0.581 1.00 61.03 H new ATOM 0 HB2 ASN A 63 2.367 7.107 -2.049 1.00 2.23 H new ATOM 0 HB3 ASN A 63 2.054 8.077 -0.624 1.00 2.23 H new ATOM 0 HD21 ASN A 63 5.542 8.525 -2.425 1.00 41.13 H new ATOM 0 HD22 ASN A 63 4.019 7.985 -3.139 1.00 41.13 H new ATOM 993 N PHE A 64 4.011 5.658 1.762 1.00 41.13 N ATOM 994 CA PHE A 64 4.465 5.858 3.133 1.00 42.31 C ATOM 995 C PHE A 64 5.211 7.182 3.271 1.00 44.11 C ATOM 996 O PHE A 64 6.154 7.457 2.528 1.00 31.11 O ATOM 997 CB PHE A 64 5.369 4.703 3.567 1.00 22.31 C ATOM 998 CG PHE A 64 4.749 3.815 4.608 1.00 3.33 C ATOM 999 CD1 PHE A 64 4.617 4.249 5.917 1.00 14.34 C ATOM 1000 CD2 PHE A 64 4.299 2.547 4.278 1.00 51.41 C ATOM 1001 CE1 PHE A 64 4.047 3.434 6.878 1.00 43.35 C ATOM 1002 CE2 PHE A 64 3.728 1.728 5.234 1.00 63.03 C ATOM 1003 CZ PHE A 64 3.601 2.173 6.535 1.00 25.40 C ATOM 0 H PHE A 64 4.529 4.947 1.246 1.00 41.13 H new ATOM 0 HA PHE A 64 3.588 5.886 3.779 1.00 42.31 H new ATOM 0 HB2 PHE A 64 5.623 4.103 2.693 1.00 22.31 H new ATOM 0 HB3 PHE A 64 6.302 5.109 3.957 1.00 22.31 H new ATOM 0 HD1 PHE A 64 4.963 5.235 6.190 1.00 14.34 H new ATOM 0 HD2 PHE A 64 4.395 2.194 3.262 1.00 51.41 H new ATOM 0 HE1 PHE A 64 3.951 3.783 7.895 1.00 43.35 H new ATOM 0 HE2 PHE A 64 3.382 0.741 4.964 1.00 63.03 H new ATOM 0 HZ PHE A 64 3.153 1.536 7.283 1.00 25.40 H new ATOM 1013 N VAL A 65 4.782 8.000 4.227 1.00 30.31 N ATOM 1014 CA VAL A 65 5.409 9.295 4.464 1.00 74.30 C ATOM 1015 C VAL A 65 6.875 9.134 4.849 1.00 33.45 C ATOM 1016 O VAL A 65 7.678 10.051 4.680 1.00 53.35 O ATOM 1017 CB VAL A 65 4.680 10.076 5.574 1.00 42.13 C ATOM 1018 CG1 VAL A 65 5.409 11.376 5.878 1.00 21.13 C ATOM 1019 CG2 VAL A 65 3.237 10.345 5.176 1.00 51.23 C ATOM 0 H VAL A 65 4.003 7.789 4.850 1.00 30.31 H new ATOM 0 HA VAL A 65 5.342 9.855 3.531 1.00 74.30 H new ATOM 0 HB VAL A 65 4.676 9.469 6.479 1.00 42.13 H new ATOM 0 HG11 VAL A 65 4.880 11.915 6.664 1.00 21.13 H new ATOM 0 HG12 VAL A 65 6.424 11.155 6.209 1.00 21.13 H new ATOM 0 HG13 VAL A 65 5.446 11.991 4.979 1.00 21.13 H new ATOM 0 HG21 VAL A 65 2.737 10.897 5.972 1.00 51.23 H new ATOM 0 HG22 VAL A 65 3.216 10.932 4.258 1.00 51.23 H new ATOM 0 HG23 VAL A 65 2.722 9.398 5.013 1.00 51.23 H new ATOM 1029 N LYS A 66 7.218 7.960 5.370 1.00 44.15 N ATOM 1030 CA LYS A 66 8.589 7.676 5.778 1.00 33.24 C ATOM 1031 C LYS A 66 9.105 6.408 5.105 1.00 5.24 C ATOM 1032 O LYS A 66 8.420 5.810 4.276 1.00 64.23 O ATOM 1033 CB LYS A 66 8.669 7.527 7.299 1.00 15.24 C ATOM 1034 CG LYS A 66 8.780 8.851 8.035 1.00 50.40 C ATOM 1035 CD LYS A 66 7.413 9.458 8.301 1.00 14.13 C ATOM 1036 CE LYS A 66 6.713 8.768 9.463 1.00 43.44 C ATOM 1037 NZ LYS A 66 6.583 9.666 10.644 1.00 64.21 N ATOM 0 H LYS A 66 6.565 7.190 5.519 1.00 44.15 H new ATOM 0 HA LYS A 66 9.215 8.512 5.467 1.00 33.24 H new ATOM 0 HB2 LYS A 66 7.783 6.998 7.651 1.00 15.24 H new ATOM 0 HB3 LYS A 66 9.530 6.908 7.550 1.00 15.24 H new ATOM 0 HG2 LYS A 66 9.302 8.700 8.980 1.00 50.40 H new ATOM 0 HG3 LYS A 66 9.379 9.546 7.447 1.00 50.40 H new ATOM 0 HD2 LYS A 66 7.522 10.520 8.519 1.00 14.13 H new ATOM 0 HD3 LYS A 66 6.798 9.378 7.405 1.00 14.13 H new ATOM 0 HE2 LYS A 66 5.723 8.438 9.147 1.00 43.44 H new ATOM 0 HE3 LYS A 66 7.271 7.875 9.745 1.00 43.44 H new ATOM 0 HZ1 LYS A 66 6.101 9.159 11.414 1.00 64.21 H new ATOM 0 HZ2 LYS A 66 7.528 9.961 10.962 1.00 64.21 H new ATOM 0 HZ3 LYS A 66 6.028 10.506 10.382 1.00 64.21 H new ATOM 1051 N LYS A 67 10.317 6.003 5.469 1.00 65.21 N ATOM 1052 CA LYS A 67 10.926 4.805 4.903 1.00 73.41 C ATOM 1053 C LYS A 67 10.585 3.575 5.739 1.00 64.12 C ATOM 1054 O LYS A 67 10.913 3.509 6.923 1.00 1.11 O ATOM 1055 CB LYS A 67 12.445 4.971 4.816 1.00 15.11 C ATOM 1056 CG LYS A 67 12.878 6.209 4.051 1.00 50.33 C ATOM 1057 CD LYS A 67 13.638 5.846 2.786 1.00 24.44 C ATOM 1058 CE LYS A 67 15.075 5.451 3.094 1.00 33.21 C ATOM 1059 NZ LYS A 67 16.051 6.411 2.509 1.00 23.12 N ATOM 0 H LYS A 67 10.897 6.487 6.154 1.00 65.21 H new ATOM 0 HA LYS A 67 10.525 4.664 3.899 1.00 73.41 H new ATOM 0 HB2 LYS A 67 12.856 5.015 5.825 1.00 15.11 H new ATOM 0 HB3 LYS A 67 12.872 4.090 4.336 1.00 15.11 H new ATOM 0 HG2 LYS A 67 12.001 6.803 3.792 1.00 50.33 H new ATOM 0 HG3 LYS A 67 13.507 6.830 4.689 1.00 50.33 H new ATOM 0 HD2 LYS A 67 13.133 5.023 2.281 1.00 24.44 H new ATOM 0 HD3 LYS A 67 13.631 6.693 2.100 1.00 24.44 H new ATOM 0 HE2 LYS A 67 15.215 5.403 4.174 1.00 33.21 H new ATOM 0 HE3 LYS A 67 15.269 4.452 2.703 1.00 33.21 H new ATOM 0 HZ1 LYS A 67 17.018 6.107 2.741 1.00 23.12 H new ATOM 0 HZ2 LYS A 67 15.935 6.438 1.476 1.00 23.12 H new ATOM 0 HZ3 LYS A 67 15.883 7.359 2.901 1.00 23.12 H new ATOM 1073 N GLN A 68 9.928 2.603 5.114 1.00 41.53 N ATOM 1074 CA GLN A 68 9.545 1.376 5.801 1.00 31.01 C ATOM 1075 C GLN A 68 9.924 0.150 4.978 1.00 65.34 C ATOM 1076 O GLN A 68 10.014 0.215 3.751 1.00 11.00 O ATOM 1077 CB GLN A 68 8.041 1.371 6.081 1.00 1.41 C ATOM 1078 CG GLN A 68 7.537 2.657 6.715 1.00 15.45 C ATOM 1079 CD GLN A 68 8.338 3.059 7.938 1.00 32.53 C ATOM 1080 OE1 GLN A 68 8.848 2.207 8.667 1.00 44.22 O ATOM 1081 NE2 GLN A 68 8.453 4.361 8.170 1.00 34.01 N ATOM 0 H GLN A 68 9.650 2.642 4.133 1.00 41.53 H new ATOM 0 HA GLN A 68 10.084 1.337 6.748 1.00 31.01 H new ATOM 0 HB2 GLN A 68 7.506 1.202 5.146 1.00 1.41 H new ATOM 0 HB3 GLN A 68 7.805 0.534 6.739 1.00 1.41 H new ATOM 0 HG2 GLN A 68 7.577 3.460 5.979 1.00 15.45 H new ATOM 0 HG3 GLN A 68 6.491 2.534 6.995 1.00 15.45 H new ATOM 0 HE21 GLN A 68 8.014 5.032 7.540 1.00 34.01 H new ATOM 0 HE22 GLN A 68 8.980 4.690 8.979 1.00 34.01 H new ATOM 1090 N THR A 69 10.148 -0.969 5.660 1.00 74.43 N ATOM 1091 CA THR A 69 10.519 -2.210 4.992 1.00 61.41 C ATOM 1092 C THR A 69 9.291 -3.061 4.689 1.00 31.04 C ATOM 1093 O THR A 69 8.183 -2.746 5.125 1.00 71.54 O ATOM 1094 CB THR A 69 11.503 -3.034 5.844 1.00 31.21 C ATOM 1095 OG1 THR A 69 10.798 -3.706 6.894 1.00 71.11 O ATOM 1096 CG2 THR A 69 12.581 -2.142 6.441 1.00 52.25 C ATOM 0 H THR A 69 10.079 -1.041 6.675 1.00 74.43 H new ATOM 0 HA THR A 69 11.004 -1.932 4.056 1.00 61.41 H new ATOM 0 HB THR A 69 11.980 -3.770 5.197 1.00 31.21 H new ATOM 0 HG1 THR A 69 11.430 -4.229 7.430 1.00 71.11 H new ATOM 0 HG21 THR A 69 13.264 -2.746 7.038 1.00 52.25 H new ATOM 0 HG22 THR A 69 13.135 -1.654 5.639 1.00 52.25 H new ATOM 0 HG23 THR A 69 12.118 -1.385 7.074 1.00 52.25 H new ATOM 1104 N PHE A 70 9.494 -4.141 3.942 1.00 41.44 N ATOM 1105 CA PHE A 70 8.402 -5.037 3.581 1.00 62.24 C ATOM 1106 C PHE A 70 7.787 -5.673 4.824 1.00 61.22 C ATOM 1107 O PHE A 70 6.580 -5.587 5.045 1.00 20.32 O ATOM 1108 CB PHE A 70 8.902 -6.127 2.630 1.00 21.35 C ATOM 1109 CG PHE A 70 8.029 -7.349 2.607 1.00 14.01 C ATOM 1110 CD1 PHE A 70 6.831 -7.347 1.911 1.00 73.11 C ATOM 1111 CD2 PHE A 70 8.405 -8.499 3.282 1.00 61.00 C ATOM 1112 CE1 PHE A 70 6.025 -8.470 1.887 1.00 14.31 C ATOM 1113 CE2 PHE A 70 7.603 -9.625 3.261 1.00 5.33 C ATOM 1114 CZ PHE A 70 6.411 -9.610 2.564 1.00 2.41 C ATOM 0 H PHE A 70 10.405 -4.417 3.575 1.00 41.44 H new ATOM 0 HA PHE A 70 7.634 -4.450 3.078 1.00 62.24 H new ATOM 0 HB2 PHE A 70 8.966 -5.717 1.622 1.00 21.35 H new ATOM 0 HB3 PHE A 70 9.912 -6.417 2.921 1.00 21.35 H new ATOM 0 HD1 PHE A 70 6.523 -6.458 1.381 1.00 73.11 H new ATOM 0 HD2 PHE A 70 9.335 -8.516 3.831 1.00 61.00 H new ATOM 0 HE1 PHE A 70 5.094 -8.456 1.339 1.00 14.31 H new ATOM 0 HE2 PHE A 70 7.909 -10.516 3.789 1.00 5.33 H new ATOM 0 HZ PHE A 70 5.782 -10.488 2.548 1.00 2.41 H new ATOM 1124 N ASN A 71 8.627 -6.312 5.632 1.00 62.15 N ATOM 1125 CA ASN A 71 8.167 -6.964 6.852 1.00 31.22 C ATOM 1126 C ASN A 71 7.565 -5.948 7.818 1.00 71.01 C ATOM 1127 O ASN A 71 6.548 -6.211 8.460 1.00 73.43 O ATOM 1128 CB ASN A 71 9.324 -7.703 7.528 1.00 73.43 C ATOM 1129 CG ASN A 71 8.880 -8.998 8.181 1.00 73.14 C ATOM 1130 OD1 ASN A 71 8.368 -8.998 9.300 1.00 23.05 O ATOM 1131 ND2 ASN A 71 9.074 -10.110 7.481 1.00 22.24 N ATOM 0 H ASN A 71 9.630 -6.392 5.464 1.00 62.15 H new ATOM 0 HA ASN A 71 7.394 -7.683 6.580 1.00 31.22 H new ATOM 0 HB2 ASN A 71 10.096 -7.918 6.789 1.00 73.43 H new ATOM 0 HB3 ASN A 71 9.775 -7.056 8.280 1.00 73.43 H new ATOM 0 HD21 ASN A 71 8.795 -11.011 7.868 1.00 22.24 H new ATOM 0 HD22 ASN A 71 9.502 -10.062 6.557 1.00 22.24 H new ATOM 1138 N LYS A 72 8.200 -4.785 7.916 1.00 53.13 N ATOM 1139 CA LYS A 72 7.727 -3.727 8.801 1.00 44.00 C ATOM 1140 C LYS A 72 6.373 -3.196 8.341 1.00 65.34 C ATOM 1141 O LYS A 72 5.447 -3.053 9.139 1.00 63.40 O ATOM 1142 CB LYS A 72 8.744 -2.584 8.852 1.00 63.50 C ATOM 1143 CG LYS A 72 8.667 -1.758 10.124 1.00 43.11 C ATOM 1144 CD LYS A 72 7.643 -0.642 10.003 1.00 43.15 C ATOM 1145 CE LYS A 72 7.200 -0.141 11.369 1.00 44.24 C ATOM 1146 NZ LYS A 72 8.256 0.677 12.028 1.00 33.25 N ATOM 0 H LYS A 72 9.044 -4.551 7.393 1.00 53.13 H new ATOM 0 HA LYS A 72 7.612 -4.148 9.800 1.00 44.00 H new ATOM 0 HB2 LYS A 72 9.748 -2.998 8.758 1.00 63.50 H new ATOM 0 HB3 LYS A 72 8.587 -1.930 7.994 1.00 63.50 H new ATOM 0 HG2 LYS A 72 8.406 -2.403 10.963 1.00 43.11 H new ATOM 0 HG3 LYS A 72 9.646 -1.332 10.342 1.00 43.11 H new ATOM 0 HD2 LYS A 72 8.069 0.183 9.432 1.00 43.15 H new ATOM 0 HD3 LYS A 72 6.777 -1.001 9.447 1.00 43.15 H new ATOM 0 HE2 LYS A 72 6.293 0.455 11.261 1.00 44.24 H new ATOM 0 HE3 LYS A 72 6.949 -0.991 12.004 1.00 44.24 H new ATOM 0 HZ1 LYS A 72 7.916 1.000 12.956 1.00 33.25 H new ATOM 0 HZ2 LYS A 72 9.113 0.101 12.154 1.00 33.25 H new ATOM 0 HZ3 LYS A 72 8.477 1.502 11.434 1.00 33.25 H new ATOM 1160 N VAL A 73 6.265 -2.907 7.048 1.00 52.13 N ATOM 1161 CA VAL A 73 5.023 -2.395 6.481 1.00 41.43 C ATOM 1162 C VAL A 73 3.854 -3.322 6.791 1.00 14.00 C ATOM 1163 O VAL A 73 2.705 -2.886 6.869 1.00 33.22 O ATOM 1164 CB VAL A 73 5.134 -2.219 4.955 1.00 54.35 C ATOM 1165 CG1 VAL A 73 3.754 -2.065 4.333 1.00 33.42 C ATOM 1166 CG2 VAL A 73 6.014 -1.025 4.619 1.00 42.34 C ATOM 0 H VAL A 73 7.022 -3.019 6.374 1.00 52.13 H new ATOM 0 HA VAL A 73 4.843 -1.423 6.939 1.00 41.43 H new ATOM 0 HB VAL A 73 5.598 -3.113 4.537 1.00 54.35 H new ATOM 0 HG11 VAL A 73 3.853 -1.942 3.254 1.00 33.42 H new ATOM 0 HG12 VAL A 73 3.159 -2.953 4.544 1.00 33.42 H new ATOM 0 HG13 VAL A 73 3.261 -1.189 4.755 1.00 33.42 H new ATOM 0 HG21 VAL A 73 6.081 -0.916 3.537 1.00 42.34 H new ATOM 0 HG22 VAL A 73 5.581 -0.122 5.049 1.00 42.34 H new ATOM 0 HG23 VAL A 73 7.011 -1.181 5.031 1.00 42.34 H new ATOM 1176 N LYS A 74 4.153 -4.604 6.968 1.00 63.31 N ATOM 1177 CA LYS A 74 3.128 -5.595 7.272 1.00 71.30 C ATOM 1178 C LYS A 74 2.493 -5.322 8.632 1.00 41.23 C ATOM 1179 O LYS A 74 1.465 -5.905 8.976 1.00 62.43 O ATOM 1180 CB LYS A 74 3.728 -7.003 7.251 1.00 12.02 C ATOM 1181 CG LYS A 74 4.066 -7.499 5.856 1.00 25.32 C ATOM 1182 CD LYS A 74 4.037 -9.017 5.782 1.00 52.32 C ATOM 1183 CE LYS A 74 3.307 -9.500 4.538 1.00 42.54 C ATOM 1184 NZ LYS A 74 3.375 -10.980 4.394 1.00 22.22 N ATOM 0 H LYS A 74 5.098 -4.982 6.906 1.00 63.31 H new ATOM 0 HA LYS A 74 2.353 -5.525 6.508 1.00 71.30 H new ATOM 0 HB2 LYS A 74 4.632 -7.013 7.860 1.00 12.02 H new ATOM 0 HB3 LYS A 74 3.025 -7.696 7.713 1.00 12.02 H new ATOM 0 HG2 LYS A 74 3.356 -7.085 5.140 1.00 25.32 H new ATOM 0 HG3 LYS A 74 5.054 -7.139 5.570 1.00 25.32 H new ATOM 0 HD2 LYS A 74 5.057 -9.402 5.779 1.00 52.32 H new ATOM 0 HD3 LYS A 74 3.548 -9.416 6.670 1.00 52.32 H new ATOM 0 HE2 LYS A 74 2.264 -9.187 4.585 1.00 42.54 H new ATOM 0 HE3 LYS A 74 3.742 -9.029 3.656 1.00 42.54 H new ATOM 0 HZ1 LYS A 74 2.866 -11.269 3.534 1.00 22.22 H new ATOM 0 HZ2 LYS A 74 4.369 -11.277 4.324 1.00 22.22 H new ATOM 0 HZ3 LYS A 74 2.937 -11.430 5.223 1.00 22.22 H new ATOM 1198 N TRP A 75 3.111 -4.431 9.399 1.00 34.11 N ATOM 1199 CA TRP A 75 2.604 -4.080 10.721 1.00 2.30 C ATOM 1200 C TRP A 75 1.274 -3.343 10.616 1.00 54.31 C ATOM 1201 O TRP A 75 0.511 -3.278 11.581 1.00 61.35 O ATOM 1202 CB TRP A 75 3.622 -3.215 11.467 1.00 64.54 C ATOM 1203 CG TRP A 75 3.612 -1.780 11.035 1.00 25.22 C ATOM 1204 CD1 TRP A 75 3.468 -1.308 9.762 1.00 60.11 C ATOM 1205 CD2 TRP A 75 3.755 -0.631 11.877 1.00 33.25 C ATOM 1206 NE1 TRP A 75 3.512 0.065 9.762 1.00 51.31 N ATOM 1207 CE2 TRP A 75 3.686 0.505 11.047 1.00 22.14 C ATOM 1208 CE3 TRP A 75 3.931 -0.451 13.252 1.00 62.30 C ATOM 1209 CZ2 TRP A 75 3.789 1.800 11.548 1.00 24.25 C ATOM 1210 CZ3 TRP A 75 4.034 0.835 13.748 1.00 72.43 C ATOM 1211 CH2 TRP A 75 3.962 1.947 12.898 1.00 31.51 C ATOM 0 H TRP A 75 3.963 -3.939 9.129 1.00 34.11 H new ATOM 0 HA TRP A 75 2.444 -5.003 11.278 1.00 2.30 H new ATOM 0 HB2 TRP A 75 3.417 -3.266 12.536 1.00 64.54 H new ATOM 0 HB3 TRP A 75 4.620 -3.626 11.313 1.00 64.54 H new ATOM 0 HD1 TRP A 75 3.339 -1.924 8.884 1.00 60.11 H new ATOM 0 HE1 TRP A 75 3.429 0.660 8.938 1.00 51.31 H new ATOM 0 HE3 TRP A 75 3.986 -1.302 13.915 1.00 62.30 H new ATOM 0 HZ2 TRP A 75 3.734 2.658 10.895 1.00 24.25 H new ATOM 0 HZ3 TRP A 75 4.172 0.985 14.808 1.00 72.43 H new ATOM 0 HH2 TRP A 75 4.045 2.939 13.316 1.00 31.51 H new ATOM 1222 N TYR A 76 1.000 -2.789 9.440 1.00 44.30 N ATOM 1223 CA TYR A 76 -0.238 -2.054 9.210 1.00 30.24 C ATOM 1224 C TYR A 76 -1.129 -2.787 8.212 1.00 31.22 C ATOM 1225 O TYR A 76 -2.314 -3.007 8.465 1.00 75.24 O ATOM 1226 CB TYR A 76 0.067 -0.645 8.700 1.00 63.14 C ATOM 1227 CG TYR A 76 -0.066 0.425 9.759 1.00 11.31 C ATOM 1228 CD1 TYR A 76 -1.116 0.403 10.669 1.00 52.44 C ATOM 1229 CD2 TYR A 76 0.859 1.458 9.851 1.00 12.12 C ATOM 1230 CE1 TYR A 76 -1.242 1.380 11.638 1.00 73.33 C ATOM 1231 CE2 TYR A 76 0.741 2.438 10.818 1.00 24.00 C ATOM 1232 CZ TYR A 76 -0.311 2.395 11.709 1.00 60.35 C ATOM 1233 OH TYR A 76 -0.432 3.368 12.673 1.00 13.33 O ATOM 0 H TYR A 76 1.619 -2.835 8.631 1.00 44.30 H new ATOM 0 HA TYR A 76 -0.769 -1.982 10.159 1.00 30.24 H new ATOM 0 HB2 TYR A 76 1.081 -0.624 8.300 1.00 63.14 H new ATOM 0 HB3 TYR A 76 -0.606 -0.413 7.875 1.00 63.14 H new ATOM 0 HD1 TYR A 76 -1.846 -0.391 10.618 1.00 52.44 H new ATOM 0 HD2 TYR A 76 1.684 1.495 9.155 1.00 12.12 H new ATOM 0 HE1 TYR A 76 -2.065 1.349 12.336 1.00 73.33 H new ATOM 0 HE2 TYR A 76 1.469 3.234 10.876 1.00 24.00 H new ATOM 0 HH TYR A 76 0.411 3.862 12.747 1.00 13.33 H new ATOM 1243 N LEU A 77 -0.550 -3.164 7.078 1.00 42.54 N ATOM 1244 CA LEU A 77 -1.289 -3.873 6.039 1.00 35.15 C ATOM 1245 C LEU A 77 -1.556 -5.317 6.451 1.00 32.35 C ATOM 1246 O LEU A 77 -2.343 -6.019 5.818 1.00 61.24 O ATOM 1247 CB LEU A 77 -0.514 -3.842 4.721 1.00 11.32 C ATOM 1248 CG LEU A 77 -0.377 -2.472 4.056 1.00 50.13 C ATOM 1249 CD1 LEU A 77 0.665 -2.518 2.949 1.00 70.11 C ATOM 1250 CD2 LEU A 77 -1.719 -2.008 3.508 1.00 30.32 C ATOM 0 H LEU A 77 0.430 -2.991 6.854 1.00 42.54 H new ATOM 0 HA LEU A 77 -2.246 -3.370 5.901 1.00 35.15 H new ATOM 0 HB2 LEU A 77 0.485 -4.238 4.901 1.00 11.32 H new ATOM 0 HB3 LEU A 77 -1.003 -4.517 4.019 1.00 11.32 H new ATOM 0 HG LEU A 77 -0.047 -1.756 4.809 1.00 50.13 H new ATOM 0 HD11 LEU A 77 0.749 -1.534 2.487 1.00 70.11 H new ATOM 0 HD12 LEU A 77 1.629 -2.805 3.369 1.00 70.11 H new ATOM 0 HD13 LEU A 77 0.365 -3.248 2.197 1.00 70.11 H new ATOM 0 HD21 LEU A 77 -1.602 -1.031 3.038 1.00 30.32 H new ATOM 0 HD22 LEU A 77 -2.078 -2.725 2.770 1.00 30.32 H new ATOM 0 HD23 LEU A 77 -2.439 -1.935 4.323 1.00 30.32 H new ATOM 1262 N GLY A 78 -0.896 -5.754 7.520 1.00 72.21 N ATOM 1263 CA GLY A 78 -1.077 -7.112 8.000 1.00 52.23 C ATOM 1264 C GLY A 78 -0.482 -8.143 7.061 1.00 11.41 C ATOM 1265 O GLY A 78 -0.340 -7.894 5.864 1.00 15.43 O ATOM 0 H GLY A 78 -0.240 -5.192 8.062 1.00 72.21 H new ATOM 0 HA2 GLY A 78 -0.616 -7.211 8.983 1.00 52.23 H new ATOM 0 HA3 GLY A 78 -2.141 -7.311 8.126 1.00 52.23 H new ATOM 1269 N ALA A 79 -0.131 -9.303 7.605 1.00 30.22 N ATOM 1270 CA ALA A 79 0.452 -10.375 6.808 1.00 31.31 C ATOM 1271 C ALA A 79 -0.612 -11.077 5.970 1.00 24.25 C ATOM 1272 O ALA A 79 -0.320 -11.608 4.898 1.00 14.15 O ATOM 1273 CB ALA A 79 1.163 -11.375 7.708 1.00 72.41 C ATOM 0 H ALA A 79 -0.240 -9.525 8.595 1.00 30.22 H new ATOM 0 HA ALA A 79 1.180 -9.934 6.127 1.00 31.31 H new ATOM 0 HB1 ALA A 79 1.594 -12.170 7.099 1.00 72.41 H new ATOM 0 HB2 ALA A 79 1.956 -10.869 8.258 1.00 72.41 H new ATOM 0 HB3 ALA A 79 0.449 -11.803 8.412 1.00 72.41 H new ATOM 1279 N ARG A 80 -1.844 -11.077 6.467 1.00 55.23 N ATOM 1280 CA ARG A 80 -2.951 -11.716 5.764 1.00 1.43 C ATOM 1281 C ARG A 80 -3.048 -11.209 4.328 1.00 14.44 C ATOM 1282 O ARG A 80 -3.423 -11.953 3.421 1.00 10.51 O ATOM 1283 CB ARG A 80 -4.267 -11.455 6.499 1.00 74.41 C ATOM 1284 CG ARG A 80 -4.239 -11.863 7.963 1.00 43.50 C ATOM 1285 CD ARG A 80 -5.606 -12.330 8.438 1.00 4.52 C ATOM 1286 NE ARG A 80 -5.740 -13.782 8.375 1.00 31.41 N ATOM 1287 CZ ARG A 80 -5.139 -14.613 9.219 1.00 65.51 C ATOM 1288 NH1 ARG A 80 -4.366 -14.138 10.185 1.00 3.44 N ATOM 1289 NH2 ARG A 80 -5.310 -15.924 9.097 1.00 0.41 N ATOM 0 H ARG A 80 -2.101 -10.642 7.353 1.00 55.23 H new ATOM 0 HA ARG A 80 -2.763 -12.789 5.740 1.00 1.43 H new ATOM 0 HB2 ARG A 80 -4.507 -10.394 6.431 1.00 74.41 H new ATOM 0 HB3 ARG A 80 -5.068 -11.996 5.995 1.00 74.41 H new ATOM 0 HG2 ARG A 80 -3.511 -12.662 8.105 1.00 43.50 H new ATOM 0 HG3 ARG A 80 -3.910 -11.020 8.570 1.00 43.50 H new ATOM 0 HD2 ARG A 80 -5.768 -11.995 9.463 1.00 4.52 H new ATOM 0 HD3 ARG A 80 -6.380 -11.868 7.826 1.00 4.52 H new ATOM 0 HE ARG A 80 -6.327 -14.180 7.643 1.00 31.41 H new ATOM 0 HH11 ARG A 80 -4.231 -13.132 10.282 1.00 3.44 H new ATOM 0 HH12 ARG A 80 -3.906 -14.779 10.832 1.00 3.44 H new ATOM 0 HH21 ARG A 80 -5.903 -16.294 8.354 1.00 0.41 H new ATOM 0 HH22 ARG A 80 -4.848 -16.561 9.746 1.00 0.41 H new ATOM 1303 N CYS A 81 -2.710 -9.940 4.130 1.00 2.45 N ATOM 1304 CA CYS A 81 -2.760 -9.332 2.805 1.00 34.51 C ATOM 1305 C CYS A 81 -1.375 -9.304 2.167 1.00 14.30 C ATOM 1306 O CYS A 81 -0.373 -9.069 2.843 1.00 34.13 O ATOM 1307 CB CYS A 81 -3.325 -7.914 2.892 1.00 4.34 C ATOM 1308 SG CYS A 81 -3.305 -7.014 1.324 1.00 1.44 S ATOM 0 H CYS A 81 -2.398 -9.312 4.870 1.00 2.45 H new ATOM 0 HA CYS A 81 -3.416 -9.937 2.179 1.00 34.51 H new ATOM 0 HB2 CYS A 81 -4.351 -7.965 3.256 1.00 4.34 H new ATOM 0 HB3 CYS A 81 -2.753 -7.351 3.629 1.00 4.34 H new ATOM 0 HG CYS A 81 -4.156 -6.032 1.376 1.00 1.44 H new ATOM 1314 N HIS A 82 -1.326 -9.546 0.861 1.00 52.42 N ATOM 1315 CA HIS A 82 -0.063 -9.549 0.131 1.00 53.50 C ATOM 1316 C HIS A 82 0.354 -8.128 -0.239 1.00 33.31 C ATOM 1317 O HIS A 82 -0.419 -7.381 -0.839 1.00 13.33 O ATOM 1318 CB HIS A 82 -0.182 -10.403 -1.131 1.00 45.15 C ATOM 1319 CG HIS A 82 1.140 -10.822 -1.697 1.00 24.53 C ATOM 1320 ND1 HIS A 82 1.683 -12.074 -1.493 1.00 51.24 N ATOM 1321 CD2 HIS A 82 2.029 -10.149 -2.464 1.00 70.13 C ATOM 1322 CE1 HIS A 82 2.849 -12.151 -2.110 1.00 33.32 C ATOM 1323 NE2 HIS A 82 3.082 -10.997 -2.707 1.00 52.41 N ATOM 0 H HIS A 82 -2.146 -9.742 0.287 1.00 52.42 H new ATOM 0 HA HIS A 82 0.702 -9.976 0.779 1.00 53.50 H new ATOM 0 HB2 HIS A 82 -0.769 -11.293 -0.904 1.00 45.15 H new ATOM 0 HB3 HIS A 82 -0.731 -9.843 -1.888 1.00 45.15 H new ATOM 0 HD2 HIS A 82 1.929 -9.134 -2.819 1.00 70.13 H new ATOM 0 HE1 HIS A 82 3.501 -13.012 -2.124 1.00 33.32 H new ATOM 0 HE2 HIS A 82 3.910 -10.772 -3.259 1.00 52.41 H new ATOM 1331 N ILE A 83 1.579 -7.763 0.123 1.00 31.34 N ATOM 1332 CA ILE A 83 2.098 -6.433 -0.171 1.00 34.32 C ATOM 1333 C ILE A 83 3.322 -6.509 -1.077 1.00 0.24 C ATOM 1334 O ILE A 83 4.112 -7.449 -0.991 1.00 53.45 O ATOM 1335 CB ILE A 83 2.472 -5.677 1.118 1.00 61.33 C ATOM 1336 CG1 ILE A 83 3.577 -6.422 1.869 1.00 31.54 C ATOM 1337 CG2 ILE A 83 1.248 -5.501 2.003 1.00 15.21 C ATOM 1338 CD1 ILE A 83 4.057 -5.701 3.109 1.00 43.42 C ATOM 0 H ILE A 83 2.231 -8.370 0.620 1.00 31.34 H new ATOM 0 HA ILE A 83 1.304 -5.890 -0.683 1.00 34.32 H new ATOM 0 HB ILE A 83 2.845 -4.689 0.847 1.00 61.33 H new ATOM 0 HG12 ILE A 83 3.211 -7.409 2.151 1.00 31.54 H new ATOM 0 HG13 ILE A 83 4.422 -6.575 1.198 1.00 31.54 H new ATOM 0 HG21 ILE A 83 1.529 -4.965 2.910 1.00 15.21 H new ATOM 0 HG22 ILE A 83 0.489 -4.932 1.466 1.00 15.21 H new ATOM 0 HG23 ILE A 83 0.848 -6.479 2.269 1.00 15.21 H new ATOM 0 HD11 ILE A 83 4.840 -6.287 3.590 1.00 43.42 H new ATOM 0 HD12 ILE A 83 4.453 -4.724 2.831 1.00 43.42 H new ATOM 0 HD13 ILE A 83 3.224 -5.571 3.800 1.00 43.42 H new ATOM 1350 N GLU A 84 3.473 -5.511 -1.942 1.00 64.33 N ATOM 1351 CA GLU A 84 4.603 -5.465 -2.863 1.00 50.13 C ATOM 1352 C GLU A 84 4.998 -4.023 -3.168 1.00 11.43 C ATOM 1353 O GLU A 84 4.239 -3.090 -2.904 1.00 53.22 O ATOM 1354 CB GLU A 84 4.260 -6.196 -4.163 1.00 24.52 C ATOM 1355 CG GLU A 84 5.451 -6.891 -4.803 1.00 1.45 C ATOM 1356 CD GLU A 84 5.039 -7.949 -5.807 1.00 33.43 C ATOM 1357 OE1 GLU A 84 4.650 -9.056 -5.378 1.00 5.24 O ATOM 1358 OE2 GLU A 84 5.104 -7.671 -7.022 1.00 43.44 O ATOM 0 H GLU A 84 2.828 -4.725 -2.024 1.00 64.33 H new ATOM 0 HA GLU A 84 5.448 -5.962 -2.386 1.00 50.13 H new ATOM 0 HB2 GLU A 84 3.484 -6.935 -3.961 1.00 24.52 H new ATOM 0 HB3 GLU A 84 3.843 -5.482 -4.872 1.00 24.52 H new ATOM 0 HG2 GLU A 84 6.076 -6.149 -5.299 1.00 1.45 H new ATOM 0 HG3 GLU A 84 6.059 -7.352 -4.025 1.00 1.45 H new ATOM 1365 N LYS A 85 6.192 -3.847 -3.724 1.00 32.22 N ATOM 1366 CA LYS A 85 6.690 -2.520 -4.066 1.00 33.15 C ATOM 1367 C LYS A 85 6.013 -1.993 -5.327 1.00 21.30 C ATOM 1368 O LYS A 85 5.906 -2.702 -6.327 1.00 61.13 O ATOM 1369 CB LYS A 85 8.207 -2.558 -4.265 1.00 55.24 C ATOM 1370 CG LYS A 85 8.986 -2.727 -2.973 1.00 23.40 C ATOM 1371 CD LYS A 85 10.485 -2.684 -3.216 1.00 45.54 C ATOM 1372 CE LYS A 85 10.957 -3.891 -4.012 1.00 34.43 C ATOM 1373 NZ LYS A 85 11.549 -3.498 -5.320 1.00 11.50 N ATOM 0 H LYS A 85 6.833 -4.608 -3.948 1.00 32.22 H new ATOM 0 HA LYS A 85 6.455 -1.847 -3.241 1.00 33.15 H new ATOM 0 HB2 LYS A 85 8.456 -3.377 -4.939 1.00 55.24 H new ATOM 0 HB3 LYS A 85 8.524 -1.636 -4.753 1.00 55.24 H new ATOM 0 HG2 LYS A 85 8.707 -1.939 -2.273 1.00 23.40 H new ATOM 0 HG3 LYS A 85 8.719 -3.676 -2.508 1.00 23.40 H new ATOM 0 HD2 LYS A 85 10.741 -1.770 -3.753 1.00 45.54 H new ATOM 0 HD3 LYS A 85 11.008 -2.650 -2.261 1.00 45.54 H new ATOM 0 HE2 LYS A 85 11.696 -4.443 -3.431 1.00 34.43 H new ATOM 0 HE3 LYS A 85 10.117 -4.565 -4.182 1.00 34.43 H new ATOM 0 HZ1 LYS A 85 11.858 -4.349 -5.831 1.00 11.50 H new ATOM 0 HZ2 LYS A 85 10.837 -2.994 -5.886 1.00 11.50 H new ATOM 0 HZ3 LYS A 85 12.366 -2.876 -5.158 1.00 11.50 H new ATOM 1387 N ALA A 86 5.559 -0.745 -5.272 1.00 64.35 N ATOM 1388 CA ALA A 86 4.897 -0.123 -6.412 1.00 34.11 C ATOM 1389 C ALA A 86 5.908 0.538 -7.342 1.00 5.35 C ATOM 1390 O ALA A 86 7.024 0.862 -6.933 1.00 12.21 O ATOM 1391 CB ALA A 86 3.871 0.895 -5.935 1.00 24.13 C ATOM 0 H ALA A 86 5.638 -0.145 -4.451 1.00 64.35 H new ATOM 0 HA ALA A 86 4.385 -0.904 -6.973 1.00 34.11 H new ATOM 0 HB1 ALA A 86 3.384 1.352 -6.797 1.00 24.13 H new ATOM 0 HB2 ALA A 86 3.124 0.396 -5.318 1.00 24.13 H new ATOM 0 HB3 ALA A 86 4.370 1.667 -5.348 1.00 24.13 H new ATOM 1397 N LYS A 87 5.513 0.736 -8.595 1.00 32.45 N ATOM 1398 CA LYS A 87 6.384 1.359 -9.583 1.00 64.04 C ATOM 1399 C LYS A 87 5.589 2.271 -10.512 1.00 10.23 C ATOM 1400 O LYS A 87 4.419 2.016 -10.796 1.00 5.31 O ATOM 1401 CB LYS A 87 7.109 0.288 -10.402 1.00 4.14 C ATOM 1402 CG LYS A 87 6.177 -0.580 -11.229 1.00 23.22 C ATOM 1403 CD LYS A 87 6.794 -0.939 -12.570 1.00 72.43 C ATOM 1404 CE LYS A 87 7.706 -2.152 -12.458 1.00 55.30 C ATOM 1405 NZ LYS A 87 8.339 -2.492 -13.762 1.00 72.11 N ATOM 0 H LYS A 87 4.594 0.473 -8.950 1.00 32.45 H new ATOM 0 HA LYS A 87 7.120 1.963 -9.052 1.00 64.04 H new ATOM 0 HB2 LYS A 87 7.825 0.773 -11.066 1.00 4.14 H new ATOM 0 HB3 LYS A 87 7.681 -0.348 -9.727 1.00 4.14 H new ATOM 0 HG2 LYS A 87 5.944 -1.492 -10.679 1.00 23.22 H new ATOM 0 HG3 LYS A 87 5.236 -0.055 -11.389 1.00 23.22 H new ATOM 0 HD2 LYS A 87 6.004 -1.142 -13.292 1.00 72.43 H new ATOM 0 HD3 LYS A 87 7.362 -0.089 -12.949 1.00 72.43 H new ATOM 0 HE2 LYS A 87 8.482 -1.956 -11.718 1.00 55.30 H new ATOM 0 HE3 LYS A 87 7.132 -3.006 -12.099 1.00 55.30 H new ATOM 0 HZ1 LYS A 87 8.952 -3.323 -13.644 1.00 72.11 H new ATOM 0 HZ2 LYS A 87 7.600 -2.704 -14.462 1.00 72.11 H new ATOM 0 HZ3 LYS A 87 8.908 -1.686 -14.092 1.00 72.11 H new ATOM 1419 N GLY A 88 6.232 3.335 -10.983 1.00 3.44 N ATOM 1420 CA GLY A 88 5.569 4.268 -11.875 1.00 44.10 C ATOM 1421 C GLY A 88 5.351 5.625 -11.237 1.00 13.53 C ATOM 1422 O GLY A 88 5.750 5.855 -10.094 1.00 52.14 O ATOM 0 H GLY A 88 7.200 3.567 -10.763 1.00 3.44 H new ATOM 0 HA2 GLY A 88 6.165 4.387 -12.780 1.00 44.10 H new ATOM 0 HA3 GLY A 88 4.607 3.854 -12.179 1.00 44.10 H new ATOM 1426 N THR A 89 4.716 6.530 -11.976 1.00 11.13 N ATOM 1427 CA THR A 89 4.447 7.873 -11.477 1.00 24.25 C ATOM 1428 C THR A 89 3.145 7.915 -10.685 1.00 24.11 C ATOM 1429 O THR A 89 2.413 6.927 -10.623 1.00 3.02 O ATOM 1430 CB THR A 89 4.369 8.894 -12.627 1.00 10.54 C ATOM 1431 OG1 THR A 89 3.146 8.724 -13.351 1.00 74.40 O ATOM 1432 CG2 THR A 89 5.550 8.737 -13.572 1.00 23.10 C ATOM 0 H THR A 89 4.378 6.357 -12.923 1.00 11.13 H new ATOM 0 HA THR A 89 5.276 8.139 -10.821 1.00 24.25 H new ATOM 0 HB THR A 89 4.400 9.895 -12.197 1.00 10.54 H new ATOM 0 HG1 THR A 89 3.103 9.378 -14.079 1.00 74.40 H new ATOM 0 HG21 THR A 89 5.473 9.469 -14.376 1.00 23.10 H new ATOM 0 HG22 THR A 89 6.478 8.897 -13.024 1.00 23.10 H new ATOM 0 HG23 THR A 89 5.547 7.732 -13.995 1.00 23.10 H new ATOM 1440 N ASP A 90 2.862 9.064 -10.082 1.00 3.13 N ATOM 1441 CA ASP A 90 1.646 9.235 -9.295 1.00 5.42 C ATOM 1442 C ASP A 90 0.412 8.885 -10.119 1.00 53.44 C ATOM 1443 O ASP A 90 -0.526 8.266 -9.617 1.00 42.23 O ATOM 1444 CB ASP A 90 1.543 10.673 -8.783 1.00 52.14 C ATOM 1445 CG ASP A 90 1.717 11.695 -9.890 1.00 11.15 C ATOM 1446 OD1 ASP A 90 2.877 11.996 -10.243 1.00 34.21 O ATOM 1447 OD2 ASP A 90 0.694 12.194 -10.403 1.00 35.54 O ATOM 0 H ASP A 90 3.458 9.891 -10.123 1.00 3.13 H new ATOM 0 HA ASP A 90 1.695 8.557 -8.443 1.00 5.42 H new ATOM 0 HB2 ASP A 90 0.573 10.818 -8.308 1.00 52.14 H new ATOM 0 HB3 ASP A 90 2.301 10.838 -8.017 1.00 52.14 H new ATOM 1452 N GLN A 91 0.419 9.287 -11.386 1.00 50.33 N ATOM 1453 CA GLN A 91 -0.702 9.017 -12.279 1.00 44.33 C ATOM 1454 C GLN A 91 -0.797 7.529 -12.599 1.00 0.05 C ATOM 1455 O GLN A 91 -1.892 6.983 -12.733 1.00 44.25 O ATOM 1456 CB GLN A 91 -0.555 9.820 -13.573 1.00 50.20 C ATOM 1457 CG GLN A 91 -0.919 11.288 -13.423 1.00 14.34 C ATOM 1458 CD GLN A 91 -2.239 11.633 -14.084 1.00 34.34 C ATOM 1459 OE1 GLN A 91 -2.285 11.973 -15.266 1.00 64.02 O ATOM 1460 NE2 GLN A 91 -3.324 11.546 -13.322 1.00 23.01 N ATOM 0 H GLN A 91 1.188 9.800 -11.817 1.00 50.33 H new ATOM 0 HA GLN A 91 -1.618 9.321 -11.773 1.00 44.33 H new ATOM 0 HB2 GLN A 91 0.474 9.744 -13.923 1.00 50.20 H new ATOM 0 HB3 GLN A 91 -1.187 9.374 -14.341 1.00 50.20 H new ATOM 0 HG2 GLN A 91 -0.971 11.539 -12.364 1.00 14.34 H new ATOM 0 HG3 GLN A 91 -0.129 11.900 -13.857 1.00 14.34 H new ATOM 0 HE21 GLN A 91 -3.241 11.260 -12.346 1.00 23.01 H new ATOM 0 HE22 GLN A 91 -4.240 11.765 -13.713 1.00 23.01 H new ATOM 1469 N GLN A 92 0.356 6.879 -12.718 1.00 44.41 N ATOM 1470 CA GLN A 92 0.402 5.454 -13.023 1.00 12.23 C ATOM 1471 C GLN A 92 -0.220 4.636 -11.895 1.00 45.52 C ATOM 1472 O GLN A 92 -0.892 3.636 -12.139 1.00 72.11 O ATOM 1473 CB GLN A 92 1.846 5.007 -13.257 1.00 53.02 C ATOM 1474 CG GLN A 92 2.208 4.866 -14.727 1.00 11.02 C ATOM 1475 CD GLN A 92 3.010 3.612 -15.013 1.00 34.55 C ATOM 1476 OE1 GLN A 92 2.448 2.535 -15.219 1.00 11.43 O ATOM 1477 NE2 GLN A 92 4.331 3.743 -15.026 1.00 51.55 N ATOM 0 H GLN A 92 1.271 7.316 -12.608 1.00 44.41 H new ATOM 0 HA GLN A 92 -0.175 5.284 -13.932 1.00 12.23 H new ATOM 0 HB2 GLN A 92 2.520 5.727 -12.793 1.00 53.02 H new ATOM 0 HB3 GLN A 92 2.007 4.051 -12.758 1.00 53.02 H new ATOM 0 HG2 GLN A 92 1.295 4.852 -15.322 1.00 11.02 H new ATOM 0 HG3 GLN A 92 2.781 5.739 -15.042 1.00 11.02 H new ATOM 0 HE21 GLN A 92 4.755 4.654 -14.850 1.00 51.55 H new ATOM 0 HE22 GLN A 92 4.922 2.933 -15.212 1.00 51.55 H new ATOM 1486 N ASN A 93 0.011 5.070 -10.660 1.00 64.30 N ATOM 1487 CA ASN A 93 -0.525 4.377 -9.494 1.00 72.23 C ATOM 1488 C ASN A 93 -2.001 4.708 -9.296 1.00 11.30 C ATOM 1489 O ASN A 93 -2.818 3.825 -9.034 1.00 62.01 O ATOM 1490 CB ASN A 93 0.267 4.755 -8.241 1.00 72.10 C ATOM 1491 CG ASN A 93 1.601 4.038 -8.162 1.00 35.54 C ATOM 1492 OD1 ASN A 93 2.319 4.000 -9.278 1.00 71.21 O flip ATOM 1493 ND2 ASN A 93 1.980 3.524 -7.109 1.00 22.34 N flip ATOM 0 H ASN A 93 0.565 5.898 -10.441 1.00 64.30 H new ATOM 0 HA ASN A 93 -0.431 3.305 -9.665 1.00 72.23 H new ATOM 0 HB2 ASN A 93 0.435 5.832 -8.232 1.00 72.10 H new ATOM 0 HB3 ASN A 93 -0.323 4.517 -7.356 1.00 72.10 H new ATOM 0 HD21 ASN A 93 1.395 3.578 -6.275 1.00 22.34 H new ATOM 0 HD22 ASN A 93 2.879 3.044 -7.070 1.00 22.34 H new ATOM 1500 N LYS A 94 -2.337 5.988 -9.423 1.00 63.43 N ATOM 1501 CA LYS A 94 -3.714 6.438 -9.260 1.00 70.34 C ATOM 1502 C LYS A 94 -4.622 5.801 -10.307 1.00 70.44 C ATOM 1503 O LYS A 94 -5.716 5.335 -9.992 1.00 33.14 O ATOM 1504 CB LYS A 94 -3.790 7.963 -9.364 1.00 64.43 C ATOM 1505 CG LYS A 94 -5.185 8.519 -9.138 1.00 44.31 C ATOM 1506 CD LYS A 94 -5.222 10.026 -9.330 1.00 43.14 C ATOM 1507 CE LYS A 94 -6.633 10.517 -9.614 1.00 40.23 C ATOM 1508 NZ LYS A 94 -6.646 11.935 -10.071 1.00 23.42 N ATOM 0 H LYS A 94 -1.673 6.732 -9.638 1.00 63.43 H new ATOM 0 HA LYS A 94 -4.056 6.130 -8.272 1.00 70.34 H new ATOM 0 HB2 LYS A 94 -3.110 8.403 -8.634 1.00 64.43 H new ATOM 0 HB3 LYS A 94 -3.441 8.269 -10.350 1.00 64.43 H new ATOM 0 HG2 LYS A 94 -5.883 8.046 -9.829 1.00 44.31 H new ATOM 0 HG3 LYS A 94 -5.518 8.271 -8.130 1.00 44.31 H new ATOM 0 HD2 LYS A 94 -4.838 10.517 -8.436 1.00 43.14 H new ATOM 0 HD3 LYS A 94 -4.566 10.305 -10.154 1.00 43.14 H new ATOM 0 HE2 LYS A 94 -7.091 9.886 -10.376 1.00 40.23 H new ATOM 0 HE3 LYS A 94 -7.239 10.420 -8.713 1.00 40.23 H new ATOM 0 HZ1 LYS A 94 -7.626 12.232 -10.254 1.00 23.42 H new ATOM 0 HZ2 LYS A 94 -6.233 12.541 -9.334 1.00 23.42 H new ATOM 0 HZ3 LYS A 94 -6.089 12.023 -10.945 1.00 23.42 H new ATOM 1522 N GLU A 95 -4.159 5.783 -11.554 1.00 33.24 N ATOM 1523 CA GLU A 95 -4.931 5.202 -12.646 1.00 21.30 C ATOM 1524 C GLU A 95 -4.999 3.683 -12.516 1.00 63.23 C ATOM 1525 O GLU A 95 -6.015 3.066 -12.838 1.00 44.13 O ATOM 1526 CB GLU A 95 -4.315 5.582 -13.994 1.00 1.41 C ATOM 1527 CG GLU A 95 -4.519 7.041 -14.366 1.00 51.40 C ATOM 1528 CD GLU A 95 -5.974 7.378 -14.632 1.00 24.34 C ATOM 1529 OE1 GLU A 95 -6.464 7.064 -15.736 1.00 63.32 O ATOM 1530 OE2 GLU A 95 -6.622 7.955 -13.734 1.00 2.14 O ATOM 0 H GLU A 95 -3.254 6.164 -11.832 1.00 33.24 H new ATOM 0 HA GLU A 95 -5.944 5.600 -12.592 1.00 21.30 H new ATOM 0 HB2 GLU A 95 -3.247 5.368 -13.969 1.00 1.41 H new ATOM 0 HB3 GLU A 95 -4.748 4.953 -14.772 1.00 1.41 H new ATOM 0 HG2 GLU A 95 -4.145 7.673 -13.561 1.00 51.40 H new ATOM 0 HG3 GLU A 95 -3.929 7.272 -15.253 1.00 51.40 H new ATOM 1537 N TYR A 96 -3.910 3.086 -12.043 1.00 52.33 N ATOM 1538 CA TYR A 96 -3.844 1.640 -11.874 1.00 20.34 C ATOM 1539 C TYR A 96 -4.950 1.149 -10.944 1.00 4.02 C ATOM 1540 O TYR A 96 -5.660 0.192 -11.256 1.00 44.30 O ATOM 1541 CB TYR A 96 -2.478 1.232 -11.319 1.00 41.22 C ATOM 1542 CG TYR A 96 -2.358 -0.248 -11.033 1.00 4.44 C ATOM 1543 CD1 TYR A 96 -2.742 -0.771 -9.804 1.00 11.50 C ATOM 1544 CD2 TYR A 96 -1.859 -1.122 -11.990 1.00 24.54 C ATOM 1545 CE1 TYR A 96 -2.633 -2.122 -9.537 1.00 54.32 C ATOM 1546 CE2 TYR A 96 -1.748 -2.475 -11.732 1.00 62.12 C ATOM 1547 CZ TYR A 96 -2.136 -2.970 -10.505 1.00 12.14 C ATOM 1548 OH TYR A 96 -2.026 -4.317 -10.244 1.00 10.52 O ATOM 0 H TYR A 96 -3.061 3.582 -11.770 1.00 52.33 H new ATOM 0 HA TYR A 96 -3.984 1.179 -12.852 1.00 20.34 H new ATOM 0 HB2 TYR A 96 -1.705 1.520 -12.032 1.00 41.22 H new ATOM 0 HB3 TYR A 96 -2.288 1.788 -10.401 1.00 41.22 H new ATOM 0 HD1 TYR A 96 -3.132 -0.110 -9.045 1.00 11.50 H new ATOM 0 HD2 TYR A 96 -1.553 -0.738 -12.952 1.00 24.54 H new ATOM 0 HE1 TYR A 96 -2.935 -2.512 -8.576 1.00 54.32 H new ATOM 0 HE2 TYR A 96 -1.359 -3.141 -12.488 1.00 62.12 H new ATOM 0 HH TYR A 96 -1.660 -4.774 -11.030 1.00 10.52 H new ATOM 1558 N CYS A 97 -5.089 1.811 -9.801 1.00 14.41 N ATOM 1559 CA CYS A 97 -6.108 1.444 -8.824 1.00 33.11 C ATOM 1560 C CYS A 97 -7.507 1.708 -9.372 1.00 31.23 C ATOM 1561 O CYS A 97 -8.447 0.966 -9.086 1.00 23.23 O ATOM 1562 CB CYS A 97 -5.902 2.222 -7.523 1.00 64.25 C ATOM 1563 SG CYS A 97 -4.244 2.056 -6.820 1.00 34.15 S ATOM 0 H CYS A 97 -4.509 2.604 -9.528 1.00 14.41 H new ATOM 0 HA CYS A 97 -6.012 0.378 -8.620 1.00 33.11 H new ATOM 0 HB2 CYS A 97 -6.103 3.277 -7.707 1.00 64.25 H new ATOM 0 HB3 CYS A 97 -6.632 1.882 -6.789 1.00 64.25 H new ATOM 0 HG CYS A 97 -3.391 2.693 -7.566 1.00 34.15 H new ATOM 1569 N SER A 98 -7.638 2.770 -10.159 1.00 42.44 N ATOM 1570 CA SER A 98 -8.923 3.136 -10.743 1.00 72.21 C ATOM 1571 C SER A 98 -9.245 2.252 -11.944 1.00 52.03 C ATOM 1572 O SER A 98 -10.375 2.235 -12.432 1.00 75.43 O ATOM 1573 CB SER A 98 -8.916 4.606 -11.165 1.00 11.42 C ATOM 1574 OG SER A 98 -8.352 4.764 -12.455 1.00 52.23 O ATOM 0 H SER A 98 -6.869 3.393 -10.407 1.00 42.44 H new ATOM 0 HA SER A 98 -9.693 2.987 -9.986 1.00 72.21 H new ATOM 0 HB2 SER A 98 -9.935 4.994 -11.160 1.00 11.42 H new ATOM 0 HB3 SER A 98 -8.348 5.192 -10.442 1.00 11.42 H new ATOM 0 HG SER A 98 -7.570 4.180 -12.544 1.00 52.23 H new ATOM 1580 N LYS A 99 -8.243 1.519 -12.417 1.00 31.42 N ATOM 1581 CA LYS A 99 -8.417 0.631 -13.560 1.00 61.50 C ATOM 1582 C LYS A 99 -9.525 -0.384 -13.297 1.00 60.21 C ATOM 1583 O LYS A 99 -10.116 -0.927 -14.230 1.00 43.43 O ATOM 1584 CB LYS A 99 -7.107 -0.098 -13.870 1.00 51.42 C ATOM 1585 CG LYS A 99 -7.186 -0.998 -15.091 1.00 41.42 C ATOM 1586 CD LYS A 99 -5.893 -1.769 -15.300 1.00 14.22 C ATOM 1587 CE LYS A 99 -5.609 -2.705 -14.136 1.00 31.54 C ATOM 1588 NZ LYS A 99 -5.153 -4.045 -14.600 1.00 43.20 N ATOM 0 H LYS A 99 -7.301 1.523 -12.026 1.00 31.42 H new ATOM 0 HA LYS A 99 -8.701 1.238 -14.420 1.00 61.50 H new ATOM 0 HB2 LYS A 99 -6.318 0.639 -14.023 1.00 51.42 H new ATOM 0 HB3 LYS A 99 -6.821 -0.697 -13.005 1.00 51.42 H new ATOM 0 HG2 LYS A 99 -8.013 -1.698 -14.975 1.00 41.42 H new ATOM 0 HG3 LYS A 99 -7.399 -0.396 -15.975 1.00 41.42 H new ATOM 0 HD2 LYS A 99 -5.956 -2.344 -16.224 1.00 14.22 H new ATOM 0 HD3 LYS A 99 -5.065 -1.069 -15.416 1.00 14.22 H new ATOM 0 HE2 LYS A 99 -4.847 -2.264 -13.493 1.00 31.54 H new ATOM 0 HE3 LYS A 99 -6.509 -2.817 -13.532 1.00 31.54 H new ATOM 0 HZ1 LYS A 99 -4.970 -4.654 -13.777 1.00 43.20 H new ATOM 0 HZ2 LYS A 99 -5.891 -4.477 -15.193 1.00 43.20 H new ATOM 0 HZ3 LYS A 99 -4.280 -3.941 -15.155 1.00 43.20 H new ATOM 1602 N GLU A 100 -9.802 -0.634 -12.021 1.00 62.31 N ATOM 1603 CA GLU A 100 -10.840 -1.584 -11.637 1.00 41.32 C ATOM 1604 C GLU A 100 -12.228 -1.009 -11.904 1.00 72.33 C ATOM 1605 O GLU A 100 -13.202 -1.749 -12.040 1.00 51.53 O ATOM 1606 CB GLU A 100 -10.704 -1.952 -10.158 1.00 40.42 C ATOM 1607 CG GLU A 100 -9.322 -2.458 -9.781 1.00 42.15 C ATOM 1608 CD GLU A 100 -9.068 -2.403 -8.288 1.00 24.14 C ATOM 1609 OE1 GLU A 100 -9.971 -2.789 -7.517 1.00 21.41 O ATOM 1610 OE2 GLU A 100 -7.964 -1.974 -7.890 1.00 13.05 O ATOM 0 H GLU A 100 -9.323 -0.192 -11.236 1.00 62.31 H new ATOM 0 HA GLU A 100 -10.715 -2.483 -12.240 1.00 41.32 H new ATOM 0 HB2 GLU A 100 -10.939 -1.077 -9.552 1.00 40.42 H new ATOM 0 HB3 GLU A 100 -11.441 -2.717 -9.913 1.00 40.42 H new ATOM 0 HG2 GLU A 100 -9.208 -3.485 -10.127 1.00 42.15 H new ATOM 0 HG3 GLU A 100 -8.568 -1.863 -10.296 1.00 42.15 H new ATOM 1617 N GLY A 101 -12.310 0.316 -11.977 1.00 71.23 N ATOM 1618 CA GLY A 101 -13.582 0.968 -12.227 1.00 34.22 C ATOM 1619 C GLY A 101 -14.367 1.214 -10.954 1.00 34.44 C ATOM 1620 O GLY A 101 -15.446 1.805 -10.986 1.00 22.31 O ATOM 0 H GLY A 101 -11.518 0.949 -11.867 1.00 71.23 H new ATOM 0 HA2 GLY A 101 -13.407 1.918 -12.732 1.00 34.22 H new ATOM 0 HA3 GLY A 101 -14.176 0.353 -12.903 1.00 34.22 H new ATOM 1624 N ASN A 102 -13.826 0.757 -9.829 1.00 1.21 N ATOM 1625 CA ASN A 102 -14.484 0.929 -8.539 1.00 33.10 C ATOM 1626 C ASN A 102 -13.496 1.416 -7.484 1.00 43.42 C ATOM 1627 O ASN A 102 -12.466 0.784 -7.243 1.00 14.31 O ATOM 1628 CB ASN A 102 -15.120 -0.388 -8.088 1.00 52.33 C ATOM 1629 CG ASN A 102 -16.629 -0.383 -8.242 1.00 20.42 C ATOM 1630 OD1 ASN A 102 -17.161 0.098 -9.242 1.00 41.41 O ATOM 1631 ND2 ASN A 102 -17.326 -0.922 -7.248 1.00 11.41 N ATOM 0 H ASN A 102 -12.934 0.265 -9.785 1.00 1.21 H new ATOM 0 HA ASN A 102 -15.264 1.681 -8.655 1.00 33.10 H new ATOM 0 HB2 ASN A 102 -14.701 -1.209 -8.670 1.00 52.33 H new ATOM 0 HB3 ASN A 102 -14.864 -0.573 -7.045 1.00 52.33 H new ATOM 0 HD21 ASN A 102 -18.345 -0.949 -7.295 1.00 11.41 H new ATOM 0 HD22 ASN A 102 -16.843 -1.309 -6.438 1.00 11.41 H new ATOM 1638 N LEU A 103 -13.815 2.544 -6.858 1.00 71.32 N ATOM 1639 CA LEU A 103 -12.956 3.117 -5.828 1.00 22.41 C ATOM 1640 C LEU A 103 -13.441 2.727 -4.435 1.00 55.53 C ATOM 1641 O LEU A 103 -14.633 2.813 -4.135 1.00 71.02 O ATOM 1642 CB LEU A 103 -12.915 4.640 -5.959 1.00 53.21 C ATOM 1643 CG LEU A 103 -11.562 5.246 -6.332 1.00 23.02 C ATOM 1644 CD1 LEU A 103 -10.590 5.138 -5.167 1.00 65.43 C ATOM 1645 CD2 LEU A 103 -10.994 4.564 -7.568 1.00 32.30 C ATOM 0 H LEU A 103 -14.662 3.080 -7.046 1.00 71.32 H new ATOM 0 HA LEU A 103 -11.950 2.720 -5.966 1.00 22.41 H new ATOM 0 HB2 LEU A 103 -13.644 4.940 -6.712 1.00 53.21 H new ATOM 0 HB3 LEU A 103 -13.237 5.075 -5.013 1.00 53.21 H new ATOM 0 HG LEU A 103 -11.709 6.302 -6.560 1.00 23.02 H new ATOM 0 HD11 LEU A 103 -9.632 5.574 -5.451 1.00 65.43 H new ATOM 0 HD12 LEU A 103 -10.992 5.673 -4.307 1.00 65.43 H new ATOM 0 HD13 LEU A 103 -10.448 4.089 -4.908 1.00 65.43 H new ATOM 0 HD21 LEU A 103 -10.031 5.008 -7.819 1.00 32.30 H new ATOM 0 HD22 LEU A 103 -10.862 3.501 -7.369 1.00 32.30 H new ATOM 0 HD23 LEU A 103 -11.682 4.694 -8.404 1.00 32.30 H new ATOM 1657 N LEU A 104 -12.511 2.302 -3.588 1.00 34.23 N ATOM 1658 CA LEU A 104 -12.844 1.902 -2.225 1.00 21.52 C ATOM 1659 C LEU A 104 -12.516 3.015 -1.235 1.00 73.10 C ATOM 1660 O LEU A 104 -13.208 3.191 -0.233 1.00 31.24 O ATOM 1661 CB LEU A 104 -12.085 0.628 -1.847 1.00 12.11 C ATOM 1662 CG LEU A 104 -12.367 0.068 -0.452 1.00 61.13 C ATOM 1663 CD1 LEU A 104 -13.836 -0.300 -0.311 1.00 41.34 C ATOM 1664 CD2 LEU A 104 -11.484 -1.140 -0.174 1.00 41.13 C ATOM 0 H LEU A 104 -11.521 2.225 -3.820 1.00 34.23 H new ATOM 0 HA LEU A 104 -13.915 1.706 -2.181 1.00 21.52 H new ATOM 0 HB2 LEU A 104 -12.321 -0.143 -2.581 1.00 12.11 H new ATOM 0 HB3 LEU A 104 -11.017 0.828 -1.927 1.00 12.11 H new ATOM 0 HG LEU A 104 -12.135 0.840 0.282 1.00 61.13 H new ATOM 0 HD11 LEU A 104 -14.017 -0.697 0.688 1.00 41.34 H new ATOM 0 HD12 LEU A 104 -14.450 0.587 -0.466 1.00 41.34 H new ATOM 0 HD13 LEU A 104 -14.095 -1.055 -1.054 1.00 41.34 H new ATOM 0 HD21 LEU A 104 -11.698 -1.525 0.823 1.00 41.13 H new ATOM 0 HD22 LEU A 104 -11.685 -1.915 -0.914 1.00 41.13 H new ATOM 0 HD23 LEU A 104 -10.436 -0.846 -0.232 1.00 41.13 H new ATOM 1676 N MET A 105 -11.458 3.765 -1.525 1.00 53.10 N ATOM 1677 CA MET A 105 -11.042 4.864 -0.662 1.00 5.12 C ATOM 1678 C MET A 105 -10.198 5.873 -1.435 1.00 23.32 C ATOM 1679 O MET A 105 -9.327 5.495 -2.218 1.00 52.22 O ATOM 1680 CB MET A 105 -10.251 4.330 0.534 1.00 65.11 C ATOM 1681 CG MET A 105 -9.312 5.356 1.149 1.00 35.42 C ATOM 1682 SD MET A 105 -9.121 5.142 2.929 1.00 11.13 S ATOM 1683 CE MET A 105 -7.614 4.176 2.994 1.00 11.34 C ATOM 0 H MET A 105 -10.874 3.632 -2.350 1.00 53.10 H new ATOM 0 HA MET A 105 -11.938 5.368 -0.300 1.00 5.12 H new ATOM 0 HB2 MET A 105 -10.950 3.986 1.297 1.00 65.11 H new ATOM 0 HB3 MET A 105 -9.671 3.463 0.218 1.00 65.11 H new ATOM 0 HG2 MET A 105 -8.335 5.282 0.671 1.00 35.42 H new ATOM 0 HG3 MET A 105 -9.691 6.358 0.946 1.00 35.42 H new ATOM 0 HE1 MET A 105 -7.199 4.216 4.001 1.00 11.34 H new ATOM 0 HE2 MET A 105 -7.834 3.141 2.733 1.00 11.34 H new ATOM 0 HE3 MET A 105 -6.890 4.583 2.287 1.00 11.34 H new ATOM 1693 N GLU A 106 -10.462 7.156 -1.209 1.00 34.31 N ATOM 1694 CA GLU A 106 -9.727 8.217 -1.886 1.00 51.40 C ATOM 1695 C GLU A 106 -9.214 9.248 -0.885 1.00 15.44 C ATOM 1696 O GLU A 106 -9.983 10.054 -0.358 1.00 74.40 O ATOM 1697 CB GLU A 106 -10.616 8.900 -2.927 1.00 55.03 C ATOM 1698 CG GLU A 106 -9.892 9.236 -4.220 1.00 72.11 C ATOM 1699 CD GLU A 106 -10.699 10.152 -5.120 1.00 30.31 C ATOM 1700 OE1 GLU A 106 -11.741 10.665 -4.662 1.00 34.24 O ATOM 1701 OE2 GLU A 106 -10.289 10.355 -6.282 1.00 1.14 O ATOM 0 H GLU A 106 -11.179 7.485 -0.563 1.00 34.31 H new ATOM 0 HA GLU A 106 -8.871 7.767 -2.389 1.00 51.40 H new ATOM 0 HB2 GLU A 106 -11.462 8.250 -3.152 1.00 55.03 H new ATOM 0 HB3 GLU A 106 -11.023 9.816 -2.500 1.00 55.03 H new ATOM 0 HG2 GLU A 106 -8.939 9.711 -3.986 1.00 72.11 H new ATOM 0 HG3 GLU A 106 -9.666 8.314 -4.755 1.00 72.11 H new ATOM 1708 N CYS A 107 -7.912 9.217 -0.626 1.00 61.44 N ATOM 1709 CA CYS A 107 -7.296 10.147 0.313 1.00 64.01 C ATOM 1710 C CYS A 107 -5.894 10.534 -0.146 1.00 44.01 C ATOM 1711 O CYS A 107 -5.394 10.024 -1.148 1.00 55.23 O ATOM 1712 CB CYS A 107 -7.235 9.528 1.710 1.00 14.32 C ATOM 1713 SG CYS A 107 -8.856 9.220 2.451 1.00 24.14 S ATOM 0 H CYS A 107 -7.262 8.557 -1.053 1.00 61.44 H new ATOM 0 HA CYS A 107 -7.909 11.048 0.349 1.00 64.01 H new ATOM 0 HB2 CYS A 107 -6.687 8.587 1.655 1.00 14.32 H new ATOM 0 HB3 CYS A 107 -6.668 10.190 2.365 1.00 14.32 H new ATOM 0 HG CYS A 107 -9.788 9.537 1.602 1.00 24.14 H new ATOM 1719 N GLY A 108 -5.263 11.441 0.594 1.00 13.13 N ATOM 1720 CA GLY A 108 -3.925 11.883 0.246 1.00 34.24 C ATOM 1721 C GLY A 108 -3.878 12.590 -1.094 1.00 33.34 C ATOM 1722 O GLY A 108 -4.912 12.810 -1.723 1.00 73.35 O ATOM 0 H GLY A 108 -5.655 11.878 1.428 1.00 13.13 H new ATOM 0 HA2 GLY A 108 -3.555 12.554 1.021 1.00 34.24 H new ATOM 0 HA3 GLY A 108 -3.256 11.023 0.223 1.00 34.24 H new