USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 785 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 13 LYS NZ :NH3+ 173:sc= 0.549 (180deg=-0.138) USER MOD Set 1.2: A 39 TYR OH : rot 165:sc= 0 USER MOD Single : A 8 THR OG1 : rot 27:sc= 0.0377 USER MOD Single : A 9 SER OG : rot 180:sc= -0.239 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.451 K(o=0.45,f=-4.8!) USER MOD Single : A 27 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.7) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 160:sc= 0.772 USER MOD Single : A 38 SER OG : rot 180:sc= -0.12 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.109 F(o=-1.2,f=-0.11) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0169 F(o=-1.4,f=-0.017) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 1.03 (180deg=1.03) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0106) USER MOD Single : A 59 HIS : no HD1:sc=-0.00176 X(o=-0.0018,f=-0.19) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 71 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.82) USER MOD Single : A 72 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 74 THR OG1 : rot 70:sc= 0.989 USER MOD Single : A 78 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.75) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 84 LYS NZ :NH3+ 139:sc= -1.13 (180deg=-3.34!) USER MOD Single : A 85 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.9!) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.89! C(o=-3.6!,f=-1.9!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc=-0.00628 (180deg=-0.152) USER MOD Single : A 89 GLN : amide:sc= -0.0085 X(o=-0.0085,f=-0.44) USER MOD Single : A 91 SER OG : rot 81:sc= 0.209 USER MOD Single : A 92 MET CE :methyl 164:sc=-0.00945 (180deg=-0.259) USER MOD Single : A 96 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.18) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 1.548 -18.502 -4.966 1.00 60.43 N ATOM 100 CA THR A 8 1.774 -17.167 -5.545 1.00 4.23 C ATOM 101 C THR A 8 1.959 -16.102 -4.455 1.00 15.23 C ATOM 102 O THR A 8 1.123 -15.959 -3.564 1.00 41.44 O ATOM 103 CB THR A 8 0.595 -16.750 -6.460 1.00 20.30 C ATOM 104 OG1 THR A 8 0.468 -17.678 -7.551 1.00 10.23 O ATOM 105 CG2 THR A 8 0.782 -15.340 -7.016 1.00 52.41 C ATOM 0 HA THR A 8 2.688 -17.232 -6.135 1.00 4.23 H new ATOM 0 HB THR A 8 -0.311 -16.760 -5.854 1.00 20.30 H new ATOM 0 HG1 THR A 8 0.821 -18.551 -7.280 1.00 10.23 H new ATOM 0 HG21 THR A 8 -0.065 -15.085 -7.653 1.00 52.41 H new ATOM 0 HG22 THR A 8 0.844 -14.629 -6.192 1.00 52.41 H new ATOM 0 HG23 THR A 8 1.701 -15.298 -7.601 1.00 52.41 H new ATOM 113 N SER A 9 3.054 -15.346 -4.540 1.00 63.32 N ATOM 114 CA SER A 9 3.361 -14.304 -3.545 1.00 30.35 C ATOM 115 C SER A 9 2.795 -12.935 -3.955 1.00 1.10 C ATOM 116 O SER A 9 2.357 -12.744 -5.091 1.00 73.42 O ATOM 117 CB SER A 9 4.876 -14.195 -3.334 1.00 53.53 C ATOM 118 OG SER A 9 5.193 -13.195 -2.377 1.00 74.12 O ATOM 0 H SER A 9 3.746 -15.431 -5.285 1.00 63.32 H new ATOM 0 HA SER A 9 2.883 -14.599 -2.611 1.00 30.35 H new ATOM 0 HB2 SER A 9 5.269 -15.156 -3.003 1.00 53.53 H new ATOM 0 HB3 SER A 9 5.361 -13.961 -4.282 1.00 53.53 H new ATOM 0 HG SER A 9 6.165 -13.149 -2.262 1.00 74.12 H new ATOM 124 N PHE A 10 2.821 -11.980 -3.024 1.00 45.11 N ATOM 125 CA PHE A 10 2.261 -10.640 -3.256 1.00 50.00 C ATOM 126 C PHE A 10 3.221 -9.537 -2.782 1.00 35.24 C ATOM 127 O PHE A 10 3.890 -9.678 -1.757 1.00 2.33 O ATOM 128 CB PHE A 10 0.910 -10.495 -2.535 1.00 73.34 C ATOM 129 CG PHE A 10 -0.146 -11.463 -3.014 1.00 41.21 C ATOM 130 CD1 PHE A 10 -0.964 -11.143 -4.089 1.00 11.31 C ATOM 131 CD2 PHE A 10 -0.318 -12.692 -2.391 1.00 4.43 C ATOM 132 CE1 PHE A 10 -1.929 -12.028 -4.532 1.00 75.33 C ATOM 133 CE2 PHE A 10 -1.283 -13.579 -2.830 1.00 72.25 C ATOM 134 CZ PHE A 10 -2.087 -13.247 -3.901 1.00 43.31 C ATOM 0 H PHE A 10 3.225 -12.107 -2.096 1.00 45.11 H new ATOM 0 HA PHE A 10 2.115 -10.526 -4.330 1.00 50.00 H new ATOM 0 HB2 PHE A 10 1.063 -10.639 -1.465 1.00 73.34 H new ATOM 0 HB3 PHE A 10 0.544 -9.477 -2.670 1.00 73.34 H new ATOM 0 HD1 PHE A 10 -0.845 -10.191 -4.585 1.00 11.31 H new ATOM 0 HD2 PHE A 10 0.310 -12.958 -1.553 1.00 4.43 H new ATOM 0 HE1 PHE A 10 -2.558 -11.767 -5.370 1.00 75.33 H new ATOM 0 HE2 PHE A 10 -1.407 -14.531 -2.335 1.00 72.25 H new ATOM 0 HZ PHE A 10 -2.840 -13.940 -4.246 1.00 43.31 H new ATOM 144 N ILE A 11 3.280 -8.441 -3.539 1.00 75.22 N ATOM 145 CA ILE A 11 4.134 -7.290 -3.209 1.00 12.21 C ATOM 146 C ILE A 11 3.288 -6.016 -3.051 1.00 23.24 C ATOM 147 O ILE A 11 2.256 -5.869 -3.705 1.00 2.54 O ATOM 148 CB ILE A 11 5.198 -7.051 -4.316 1.00 45.53 C ATOM 149 CG1 ILE A 11 5.994 -8.339 -4.589 1.00 31.21 C ATOM 150 CG2 ILE A 11 6.139 -5.907 -3.934 1.00 53.12 C ATOM 151 CD1 ILE A 11 7.013 -8.202 -5.701 1.00 54.42 C ATOM 0 H ILE A 11 2.741 -8.322 -4.396 1.00 75.22 H new ATOM 0 HA ILE A 11 4.637 -7.515 -2.269 1.00 12.21 H new ATOM 0 HB ILE A 11 4.676 -6.768 -5.230 1.00 45.53 H new ATOM 0 HG12 ILE A 11 6.506 -8.640 -3.675 1.00 31.21 H new ATOM 0 HG13 ILE A 11 5.298 -9.139 -4.843 1.00 31.21 H new ATOM 0 HG21 ILE A 11 6.874 -5.761 -4.726 1.00 53.12 H new ATOM 0 HG22 ILE A 11 5.563 -4.991 -3.800 1.00 53.12 H new ATOM 0 HG23 ILE A 11 6.652 -6.153 -3.004 1.00 53.12 H new ATOM 0 HD11 ILE A 11 7.534 -9.150 -5.835 1.00 54.42 H new ATOM 0 HD12 ILE A 11 6.506 -7.932 -6.628 1.00 54.42 H new ATOM 0 HD13 ILE A 11 7.733 -7.426 -5.441 1.00 54.42 H new ATOM 163 N LEU A 12 3.712 -5.101 -2.180 1.00 4.04 N ATOM 164 CA LEU A 12 3.014 -3.818 -2.018 1.00 74.44 C ATOM 165 C LEU A 12 3.856 -2.649 -2.556 1.00 63.14 C ATOM 166 O LEU A 12 4.963 -2.388 -2.069 1.00 63.54 O ATOM 167 CB LEU A 12 2.677 -3.565 -0.541 1.00 24.31 C ATOM 168 CG LEU A 12 1.905 -2.262 -0.262 1.00 1.14 C ATOM 169 CD1 LEU A 12 0.486 -2.331 -0.825 1.00 74.23 C ATOM 170 CD2 LEU A 12 1.882 -1.953 1.231 1.00 23.13 C ATOM 0 H LEU A 12 4.528 -5.219 -1.579 1.00 4.04 H new ATOM 0 HA LEU A 12 2.091 -3.878 -2.595 1.00 74.44 H new ATOM 0 HB2 LEU A 12 2.089 -4.404 -0.169 1.00 24.31 H new ATOM 0 HB3 LEU A 12 3.605 -3.549 0.030 1.00 24.31 H new ATOM 0 HG LEU A 12 2.427 -1.450 -0.769 1.00 1.14 H new ATOM 0 HD11 LEU A 12 -0.035 -1.397 -0.613 1.00 74.23 H new ATOM 0 HD12 LEU A 12 0.529 -2.486 -1.903 1.00 74.23 H new ATOM 0 HD13 LEU A 12 -0.050 -3.159 -0.361 1.00 74.23 H new ATOM 0 HD21 LEU A 12 1.331 -1.028 1.403 1.00 23.13 H new ATOM 0 HD22 LEU A 12 1.395 -2.770 1.764 1.00 23.13 H new ATOM 0 HD23 LEU A 12 2.903 -1.840 1.595 1.00 23.13 H new ATOM 182 N LYS A 13 3.334 -1.949 -3.563 1.00 64.23 N ATOM 183 CA LYS A 13 3.979 -0.734 -4.072 1.00 23.32 C ATOM 184 C LYS A 13 3.206 0.522 -3.638 1.00 51.15 C ATOM 185 O LYS A 13 1.974 0.538 -3.628 1.00 31.31 O ATOM 186 CB LYS A 13 4.096 -0.751 -5.605 1.00 50.12 C ATOM 187 CG LYS A 13 4.856 -1.953 -6.171 1.00 3.04 C ATOM 188 CD LYS A 13 5.394 -1.681 -7.579 1.00 44.12 C ATOM 189 CE LYS A 13 4.326 -1.127 -8.521 1.00 41.55 C ATOM 190 NZ LYS A 13 3.232 -2.096 -8.776 1.00 71.20 N ATOM 0 H LYS A 13 2.469 -2.199 -4.043 1.00 64.23 H new ATOM 0 HA LYS A 13 4.982 -0.708 -3.646 1.00 23.32 H new ATOM 0 HB2 LYS A 13 3.094 -0.737 -6.033 1.00 50.12 H new ATOM 0 HB3 LYS A 13 4.594 0.163 -5.929 1.00 50.12 H new ATOM 0 HG2 LYS A 13 5.685 -2.203 -5.508 1.00 3.04 H new ATOM 0 HG3 LYS A 13 4.196 -2.820 -6.196 1.00 3.04 H new ATOM 0 HD2 LYS A 13 6.221 -0.973 -7.517 1.00 44.12 H new ATOM 0 HD3 LYS A 13 5.796 -2.605 -7.995 1.00 44.12 H new ATOM 0 HE2 LYS A 13 3.907 -0.216 -8.094 1.00 41.55 H new ATOM 0 HE3 LYS A 13 4.790 -0.851 -9.468 1.00 41.55 H new ATOM 0 HZ1 LYS A 13 2.478 -1.633 -9.322 1.00 71.20 H new ATOM 0 HZ2 LYS A 13 3.603 -2.904 -9.315 1.00 71.20 H new ATOM 0 HZ3 LYS A 13 2.847 -2.431 -7.870 1.00 71.20 H new ATOM 204 N VAL A 14 3.939 1.573 -3.286 1.00 11.40 N ATOM 205 CA VAL A 14 3.333 2.847 -2.884 1.00 1.02 C ATOM 206 C VAL A 14 3.866 4.015 -3.728 1.00 2.11 C ATOM 207 O VAL A 14 5.068 4.291 -3.746 1.00 11.03 O ATOM 208 CB VAL A 14 3.580 3.142 -1.382 1.00 10.43 C ATOM 209 CG1 VAL A 14 3.056 4.526 -0.999 1.00 2.40 C ATOM 210 CG2 VAL A 14 2.942 2.064 -0.506 1.00 61.41 C ATOM 0 H VAL A 14 4.959 1.572 -3.270 1.00 11.40 H new ATOM 0 HA VAL A 14 2.261 2.751 -3.054 1.00 1.02 H new ATOM 0 HB VAL A 14 4.657 3.130 -1.212 1.00 10.43 H new ATOM 0 HG11 VAL A 14 3.243 4.706 0.060 1.00 2.40 H new ATOM 0 HG12 VAL A 14 3.567 5.285 -1.591 1.00 2.40 H new ATOM 0 HG13 VAL A 14 1.984 4.575 -1.192 1.00 2.40 H new ATOM 0 HG21 VAL A 14 3.128 2.291 0.544 1.00 61.41 H new ATOM 0 HG22 VAL A 14 1.867 2.037 -0.687 1.00 61.41 H new ATOM 0 HG23 VAL A 14 3.375 1.094 -0.749 1.00 61.41 H new ATOM 220 N LEU A 15 2.963 4.700 -4.427 1.00 65.54 N ATOM 221 CA LEU A 15 3.323 5.867 -5.231 1.00 14.12 C ATOM 222 C LEU A 15 3.405 7.113 -4.330 1.00 61.31 C ATOM 223 O LEU A 15 2.389 7.597 -3.829 1.00 41.20 O ATOM 224 CB LEU A 15 2.290 6.075 -6.358 1.00 20.33 C ATOM 225 CG LEU A 15 2.855 6.549 -7.714 1.00 22.33 C ATOM 226 CD1 LEU A 15 1.732 6.704 -8.740 1.00 44.30 C ATOM 227 CD2 LEU A 15 3.634 7.856 -7.569 1.00 14.05 C ATOM 0 H LEU A 15 1.971 4.465 -4.453 1.00 65.54 H new ATOM 0 HA LEU A 15 4.298 5.702 -5.689 1.00 14.12 H new ATOM 0 HB2 LEU A 15 1.760 5.136 -6.516 1.00 20.33 H new ATOM 0 HB3 LEU A 15 1.554 6.804 -6.019 1.00 20.33 H new ATOM 0 HG LEU A 15 3.549 5.787 -8.069 1.00 22.33 H new ATOM 0 HD11 LEU A 15 2.150 7.039 -9.689 1.00 44.30 H new ATOM 0 HD12 LEU A 15 1.233 5.745 -8.881 1.00 44.30 H new ATOM 0 HD13 LEU A 15 1.011 7.439 -8.382 1.00 44.30 H new ATOM 0 HD21 LEU A 15 4.018 8.161 -8.543 1.00 14.05 H new ATOM 0 HD22 LEU A 15 2.974 8.632 -7.180 1.00 14.05 H new ATOM 0 HD23 LEU A 15 4.466 7.709 -6.881 1.00 14.05 H new ATOM 239 N TRP A 16 4.618 7.607 -4.121 1.00 30.01 N ATOM 240 CA TRP A 16 4.872 8.755 -3.242 1.00 0.42 C ATOM 241 C TRP A 16 4.910 10.066 -4.052 1.00 33.13 C ATOM 242 O TRP A 16 5.825 10.286 -4.847 1.00 64.21 O ATOM 243 CB TRP A 16 6.210 8.532 -2.512 1.00 34.10 C ATOM 244 CG TRP A 16 6.432 9.417 -1.319 1.00 11.34 C ATOM 245 CD1 TRP A 16 7.101 10.608 -1.286 1.00 73.31 C ATOM 246 CD2 TRP A 16 5.999 9.163 0.024 1.00 1.14 C ATOM 247 NE1 TRP A 16 7.112 11.107 -0.006 1.00 43.13 N ATOM 248 CE2 TRP A 16 6.440 10.240 0.815 1.00 62.43 C ATOM 249 CE3 TRP A 16 5.280 8.130 0.632 1.00 14.12 C ATOM 250 CZ2 TRP A 16 6.184 10.312 2.183 1.00 60.42 C ATOM 251 CZ3 TRP A 16 5.028 8.201 1.989 1.00 54.42 C ATOM 252 CH2 TRP A 16 5.478 9.286 2.752 1.00 52.33 C ATOM 0 H TRP A 16 5.459 7.227 -4.554 1.00 30.01 H new ATOM 0 HA TRP A 16 4.065 8.840 -2.514 1.00 0.42 H new ATOM 0 HB2 TRP A 16 6.263 7.492 -2.190 1.00 34.10 H new ATOM 0 HB3 TRP A 16 7.024 8.689 -3.219 1.00 34.10 H new ATOM 0 HD1 TRP A 16 7.555 11.087 -2.141 1.00 73.31 H new ATOM 0 HE1 TRP A 16 7.549 11.981 0.286 1.00 43.13 H new ATOM 0 HE3 TRP A 16 4.927 7.291 0.051 1.00 14.12 H new ATOM 0 HZ2 TRP A 16 6.530 11.147 2.773 1.00 60.42 H new ATOM 0 HZ3 TRP A 16 4.475 7.407 2.469 1.00 54.42 H new ATOM 0 HH2 TRP A 16 5.264 9.314 3.810 1.00 52.33 H new ATOM 263 N LEU A 17 3.904 10.924 -3.866 1.00 14.15 N ATOM 264 CA LEU A 17 3.827 12.195 -4.603 1.00 63.12 C ATOM 265 C LEU A 17 3.993 13.409 -3.669 1.00 73.52 C ATOM 266 O LEU A 17 4.140 13.263 -2.456 1.00 1.24 O ATOM 267 CB LEU A 17 2.492 12.317 -5.364 1.00 73.23 C ATOM 268 CG LEU A 17 2.154 11.165 -6.333 1.00 3.12 C ATOM 269 CD1 LEU A 17 1.517 9.991 -5.596 1.00 41.00 C ATOM 270 CD2 LEU A 17 1.247 11.656 -7.459 1.00 43.41 C ATOM 0 H LEU A 17 3.134 10.766 -3.216 1.00 14.15 H new ATOM 0 HA LEU A 17 4.650 12.191 -5.318 1.00 63.12 H new ATOM 0 HB2 LEU A 17 1.687 12.398 -4.633 1.00 73.23 H new ATOM 0 HB3 LEU A 17 2.504 13.249 -5.930 1.00 73.23 H new ATOM 0 HG LEU A 17 3.087 10.813 -6.773 1.00 3.12 H new ATOM 0 HD11 LEU A 17 1.290 9.195 -6.306 1.00 41.00 H new ATOM 0 HD12 LEU A 17 2.208 9.617 -4.841 1.00 41.00 H new ATOM 0 HD13 LEU A 17 0.596 10.320 -5.114 1.00 41.00 H new ATOM 0 HD21 LEU A 17 1.021 10.828 -8.131 1.00 43.41 H new ATOM 0 HD22 LEU A 17 0.320 12.044 -7.037 1.00 43.41 H new ATOM 0 HD23 LEU A 17 1.752 12.447 -8.014 1.00 43.41 H new ATOM 282 N ASP A 18 3.939 14.607 -4.252 1.00 12.42 N ATOM 283 CA ASP A 18 4.104 15.860 -3.502 1.00 55.44 C ATOM 284 C ASP A 18 2.974 16.061 -2.469 1.00 15.15 C ATOM 285 O ASP A 18 3.226 16.328 -1.291 1.00 15.20 O ATOM 286 CB ASP A 18 4.144 17.034 -4.493 1.00 44.44 C ATOM 287 CG ASP A 18 4.382 18.376 -3.821 1.00 34.11 C ATOM 288 OD1 ASP A 18 5.496 18.596 -3.306 1.00 74.31 O ATOM 289 OD2 ASP A 18 3.464 19.222 -3.826 1.00 54.11 O ATOM 0 H ASP A 18 3.781 14.740 -5.251 1.00 12.42 H new ATOM 0 HA ASP A 18 5.040 15.813 -2.946 1.00 55.44 H new ATOM 0 HB2 ASP A 18 4.932 16.857 -5.225 1.00 44.44 H new ATOM 0 HB3 ASP A 18 3.202 17.071 -5.041 1.00 44.44 H new ATOM 294 N GLN A 19 1.727 15.936 -2.922 1.00 51.25 N ATOM 295 CA GLN A 19 0.554 16.073 -2.040 1.00 14.43 C ATOM 296 C GLN A 19 -0.393 14.871 -2.189 1.00 74.14 C ATOM 297 O GLN A 19 -1.595 14.969 -1.918 1.00 52.32 O ATOM 298 CB GLN A 19 -0.191 17.378 -2.360 1.00 45.24 C ATOM 299 CG GLN A 19 0.668 18.628 -2.209 1.00 70.35 C ATOM 300 CD GLN A 19 -0.082 19.903 -2.547 1.00 42.32 C ATOM 301 OE1 GLN A 19 -0.672 20.542 -1.681 1.00 51.03 O ATOM 302 NE2 GLN A 19 -0.081 20.275 -3.809 1.00 4.32 N ATOM 0 H GLN A 19 1.496 15.740 -3.896 1.00 51.25 H new ATOM 0 HA GLN A 19 0.903 16.102 -1.008 1.00 14.43 H new ATOM 0 HB2 GLN A 19 -0.569 17.329 -3.381 1.00 45.24 H new ATOM 0 HB3 GLN A 19 -1.057 17.462 -1.703 1.00 45.24 H new ATOM 0 HG2 GLN A 19 1.035 18.689 -1.185 1.00 70.35 H new ATOM 0 HG3 GLN A 19 1.541 18.543 -2.856 1.00 70.35 H new ATOM 0 HE21 GLN A 19 0.420 19.721 -4.504 1.00 4.32 H new ATOM 0 HE22 GLN A 19 -0.581 21.118 -4.093 1.00 4.32 H new ATOM 311 N ASN A 20 0.161 13.734 -2.609 1.00 53.22 N ATOM 312 CA ASN A 20 -0.622 12.511 -2.826 1.00 65.14 C ATOM 313 C ASN A 20 0.178 11.255 -2.450 1.00 25.11 C ATOM 314 O ASN A 20 1.409 11.275 -2.412 1.00 35.13 O ATOM 315 CB ASN A 20 -1.060 12.403 -4.296 1.00 31.11 C ATOM 316 CG ASN A 20 -1.970 13.534 -4.724 1.00 52.22 C ATOM 317 OD1 ASN A 20 -3.182 13.457 -4.581 1.00 2.43 O ATOM 318 ND2 ASN A 20 -1.398 14.591 -5.263 1.00 40.30 N ATOM 0 H ASN A 20 1.156 13.631 -2.808 1.00 53.22 H new ATOM 0 HA ASN A 20 -1.500 12.574 -2.183 1.00 65.14 H new ATOM 0 HB2 ASN A 20 -0.176 12.394 -4.934 1.00 31.11 H new ATOM 0 HB3 ASN A 20 -1.573 11.453 -4.448 1.00 31.11 H new ATOM 0 HD21 ASN A 20 -1.969 15.376 -5.575 1.00 40.30 H new ATOM 0 HD22 ASN A 20 -0.384 14.624 -5.368 1.00 40.30 H new ATOM 325 N VAL A 21 -0.533 10.167 -2.176 1.00 70.24 N ATOM 326 CA VAL A 21 0.090 8.866 -1.923 1.00 23.31 C ATOM 327 C VAL A 21 -0.851 7.724 -2.357 1.00 71.53 C ATOM 328 O VAL A 21 -2.013 7.677 -1.956 1.00 63.22 O ATOM 329 CB VAL A 21 0.476 8.708 -0.430 1.00 30.42 C ATOM 330 CG1 VAL A 21 -0.731 8.923 0.473 1.00 44.33 C ATOM 331 CG2 VAL A 21 1.112 7.345 -0.164 1.00 23.25 C ATOM 0 H VAL A 21 -1.552 10.158 -2.122 1.00 70.24 H new ATOM 0 HA VAL A 21 1.004 8.813 -2.514 1.00 23.31 H new ATOM 0 HB VAL A 21 1.215 9.475 -0.198 1.00 30.42 H new ATOM 0 HG11 VAL A 21 -0.432 8.806 1.515 1.00 44.33 H new ATOM 0 HG12 VAL A 21 -1.126 9.927 0.319 1.00 44.33 H new ATOM 0 HG13 VAL A 21 -1.501 8.190 0.232 1.00 44.33 H new ATOM 0 HG21 VAL A 21 1.372 7.264 0.892 1.00 23.25 H new ATOM 0 HG22 VAL A 21 0.406 6.557 -0.425 1.00 23.25 H new ATOM 0 HG23 VAL A 21 2.013 7.240 -0.768 1.00 23.25 H new ATOM 341 N ALA A 22 -0.354 6.820 -3.194 1.00 32.31 N ATOM 342 CA ALA A 22 -1.186 5.738 -3.739 1.00 2.44 C ATOM 343 C ALA A 22 -0.651 4.354 -3.363 1.00 21.31 C ATOM 344 O ALA A 22 0.555 4.133 -3.345 1.00 44.12 O ATOM 345 CB ALA A 22 -1.282 5.867 -5.254 1.00 51.52 C ATOM 0 H ALA A 22 0.615 6.809 -3.512 1.00 32.31 H new ATOM 0 HA ALA A 22 -2.179 5.835 -3.299 1.00 2.44 H new ATOM 0 HB1 ALA A 22 -1.900 5.061 -5.649 1.00 51.52 H new ATOM 0 HB2 ALA A 22 -1.730 6.827 -5.510 1.00 51.52 H new ATOM 0 HB3 ALA A 22 -0.284 5.805 -5.688 1.00 51.52 H new ATOM 351 N ILE A 23 -1.556 3.425 -3.072 1.00 74.05 N ATOM 352 CA ILE A 23 -1.175 2.046 -2.738 1.00 40.23 C ATOM 353 C ILE A 23 -1.672 1.047 -3.798 1.00 1.24 C ATOM 354 O ILE A 23 -2.756 1.213 -4.368 1.00 74.34 O ATOM 355 CB ILE A 23 -1.719 1.633 -1.344 1.00 63.52 C ATOM 356 CG1 ILE A 23 -3.249 1.812 -1.280 1.00 60.10 C ATOM 357 CG2 ILE A 23 -1.025 2.434 -0.238 1.00 4.11 C ATOM 358 CD1 ILE A 23 -3.855 1.453 0.062 1.00 15.24 C ATOM 0 H ILE A 23 -2.561 3.597 -3.059 1.00 74.05 H new ATOM 0 HA ILE A 23 -0.086 2.019 -2.717 1.00 40.23 H new ATOM 0 HB ILE A 23 -1.499 0.577 -1.187 1.00 63.52 H new ATOM 0 HG12 ILE A 23 -3.493 2.849 -1.512 1.00 60.10 H new ATOM 0 HG13 ILE A 23 -3.709 1.195 -2.052 1.00 60.10 H new ATOM 0 HG21 ILE A 23 -1.419 2.131 0.732 1.00 4.11 H new ATOM 0 HG22 ILE A 23 0.048 2.244 -0.270 1.00 4.11 H new ATOM 0 HG23 ILE A 23 -1.209 3.498 -0.389 1.00 4.11 H new ATOM 0 HD11 ILE A 23 -4.934 1.606 0.027 1.00 15.24 H new ATOM 0 HD12 ILE A 23 -3.644 0.408 0.289 1.00 15.24 H new ATOM 0 HD13 ILE A 23 -3.424 2.087 0.837 1.00 15.24 H new ATOM 370 N ALA A 24 -0.866 0.019 -4.063 1.00 12.30 N ATOM 371 CA ALA A 24 -1.219 -1.030 -5.031 1.00 72.03 C ATOM 372 C ALA A 24 -0.482 -2.344 -4.726 1.00 42.13 C ATOM 373 O ALA A 24 0.629 -2.331 -4.199 1.00 11.01 O ATOM 374 CB ALA A 24 -0.907 -0.565 -6.450 1.00 45.14 C ATOM 0 H ALA A 24 0.043 -0.114 -3.619 1.00 12.30 H new ATOM 0 HA ALA A 24 -2.289 -1.219 -4.946 1.00 72.03 H new ATOM 0 HB1 ALA A 24 -1.173 -1.351 -7.157 1.00 45.14 H new ATOM 0 HB2 ALA A 24 -1.482 0.334 -6.673 1.00 45.14 H new ATOM 0 HB3 ALA A 24 0.157 -0.345 -6.535 1.00 45.14 H new ATOM 380 N VAL A 25 -1.106 -3.475 -5.054 1.00 22.44 N ATOM 381 CA VAL A 25 -0.504 -4.795 -4.816 1.00 52.24 C ATOM 382 C VAL A 25 -0.163 -5.506 -6.138 1.00 52.31 C ATOM 383 O VAL A 25 -0.926 -5.447 -7.104 1.00 31.54 O ATOM 384 CB VAL A 25 -1.443 -5.703 -3.976 1.00 32.14 C ATOM 385 CG1 VAL A 25 -0.830 -7.089 -3.761 1.00 3.20 C ATOM 386 CG2 VAL A 25 -1.771 -5.048 -2.634 1.00 25.32 C ATOM 0 H VAL A 25 -2.029 -3.508 -5.486 1.00 22.44 H new ATOM 0 HA VAL A 25 0.417 -4.622 -4.259 1.00 52.24 H new ATOM 0 HB VAL A 25 -2.370 -5.829 -4.536 1.00 32.14 H new ATOM 0 HG11 VAL A 25 -1.512 -7.701 -3.170 1.00 3.20 H new ATOM 0 HG12 VAL A 25 -0.660 -7.565 -4.727 1.00 3.20 H new ATOM 0 HG13 VAL A 25 0.119 -6.989 -3.233 1.00 3.20 H new ATOM 0 HG21 VAL A 25 -2.430 -5.701 -2.062 1.00 25.32 H new ATOM 0 HG22 VAL A 25 -0.850 -4.882 -2.075 1.00 25.32 H new ATOM 0 HG23 VAL A 25 -2.267 -4.093 -2.807 1.00 25.32 H new ATOM 396 N ASP A 26 0.988 -6.176 -6.168 1.00 4.33 N ATOM 397 CA ASP A 26 1.435 -6.931 -7.344 1.00 11.14 C ATOM 398 C ASP A 26 1.507 -8.440 -7.047 1.00 1.34 C ATOM 399 O ASP A 26 2.058 -8.860 -6.028 1.00 32.02 O ATOM 400 CB ASP A 26 2.805 -6.420 -7.799 1.00 62.15 C ATOM 401 CG ASP A 26 2.767 -4.950 -8.178 1.00 23.32 C ATOM 402 OD1 ASP A 26 2.683 -4.099 -7.270 1.00 43.10 O ATOM 403 OD2 ASP A 26 2.811 -4.636 -9.388 1.00 51.03 O ATOM 0 H ASP A 26 1.637 -6.213 -5.382 1.00 4.33 H new ATOM 0 HA ASP A 26 0.707 -6.780 -8.141 1.00 11.14 H new ATOM 0 HB2 ASP A 26 3.531 -6.570 -7.000 1.00 62.15 H new ATOM 0 HB3 ASP A 26 3.145 -7.006 -8.653 1.00 62.15 H new ATOM 408 N GLN A 27 0.945 -9.251 -7.941 1.00 64.44 N ATOM 409 CA GLN A 27 0.964 -10.710 -7.790 1.00 72.12 C ATOM 410 C GLN A 27 2.180 -11.327 -8.511 1.00 75.12 C ATOM 411 O GLN A 27 2.389 -11.113 -9.710 1.00 13.20 O ATOM 412 CB GLN A 27 -0.351 -11.314 -8.326 1.00 41.52 C ATOM 413 CG GLN A 27 -0.598 -11.059 -9.812 1.00 54.20 C ATOM 414 CD GLN A 27 -1.922 -11.618 -10.309 1.00 14.35 C ATOM 415 OE1 GLN A 27 -2.937 -10.930 -10.335 1.00 55.42 O ATOM 416 NE2 GLN A 27 -1.923 -12.877 -10.692 1.00 63.40 N ATOM 0 H GLN A 27 0.469 -8.924 -8.781 1.00 64.44 H new ATOM 0 HA GLN A 27 1.053 -10.945 -6.729 1.00 72.12 H new ATOM 0 HB2 GLN A 27 -0.342 -12.390 -8.150 1.00 41.52 H new ATOM 0 HB3 GLN A 27 -1.185 -10.905 -7.755 1.00 41.52 H new ATOM 0 HG2 GLN A 27 -0.573 -9.985 -9.998 1.00 54.20 H new ATOM 0 HG3 GLN A 27 0.214 -11.501 -10.389 1.00 54.20 H new ATOM 0 HE21 GLN A 27 -1.061 -13.421 -10.658 1.00 63.40 H new ATOM 0 HE22 GLN A 27 -2.786 -13.309 -11.023 1.00 63.40 H new ATOM 425 N ILE A 28 2.996 -12.073 -7.771 1.00 34.15 N ATOM 426 CA ILE A 28 4.162 -12.747 -8.351 1.00 20.22 C ATOM 427 C ILE A 28 3.746 -14.057 -9.041 1.00 34.11 C ATOM 428 O ILE A 28 3.635 -15.104 -8.400 1.00 44.10 O ATOM 429 CB ILE A 28 5.242 -13.039 -7.275 1.00 65.52 C ATOM 430 CG1 ILE A 28 5.671 -11.734 -6.582 1.00 41.05 C ATOM 431 CG2 ILE A 28 6.448 -13.742 -7.899 1.00 72.53 C ATOM 432 CD1 ILE A 28 6.768 -11.916 -5.553 1.00 3.33 C ATOM 0 H ILE A 28 2.875 -12.228 -6.770 1.00 34.15 H new ATOM 0 HA ILE A 28 4.591 -12.074 -9.093 1.00 20.22 H new ATOM 0 HB ILE A 28 4.813 -13.704 -6.525 1.00 65.52 H new ATOM 0 HG12 ILE A 28 6.010 -11.027 -7.339 1.00 41.05 H new ATOM 0 HG13 ILE A 28 4.802 -11.289 -6.097 1.00 41.05 H new ATOM 0 HG21 ILE A 28 7.194 -13.938 -7.129 1.00 72.53 H new ATOM 0 HG22 ILE A 28 6.130 -14.685 -8.344 1.00 72.53 H new ATOM 0 HG23 ILE A 28 6.882 -13.105 -8.670 1.00 72.53 H new ATOM 0 HD11 ILE A 28 7.015 -10.951 -5.109 1.00 3.33 H new ATOM 0 HD12 ILE A 28 6.426 -12.597 -4.774 1.00 3.33 H new ATOM 0 HD13 ILE A 28 7.653 -12.331 -6.035 1.00 3.33 H new ATOM 444 N VAL A 29 3.504 -13.986 -10.351 1.00 2.40 N ATOM 445 CA VAL A 29 3.005 -15.141 -11.106 1.00 24.35 C ATOM 446 C VAL A 29 4.146 -16.070 -11.548 1.00 3.10 C ATOM 447 O VAL A 29 4.671 -15.935 -12.654 1.00 52.22 O ATOM 448 CB VAL A 29 2.207 -14.692 -12.359 1.00 10.40 C ATOM 449 CG1 VAL A 29 1.604 -15.894 -13.087 1.00 54.11 C ATOM 450 CG2 VAL A 29 1.127 -13.680 -11.980 1.00 63.41 C ATOM 0 H VAL A 29 3.644 -13.145 -10.911 1.00 2.40 H new ATOM 0 HA VAL A 29 2.345 -15.688 -10.433 1.00 24.35 H new ATOM 0 HB VAL A 29 2.901 -14.204 -13.044 1.00 10.40 H new ATOM 0 HG11 VAL A 29 1.050 -15.550 -13.961 1.00 54.11 H new ATOM 0 HG12 VAL A 29 2.402 -16.565 -13.404 1.00 54.11 H new ATOM 0 HG13 VAL A 29 0.929 -16.425 -12.416 1.00 54.11 H new ATOM 0 HG21 VAL A 29 0.580 -13.379 -12.874 1.00 63.41 H new ATOM 0 HG22 VAL A 29 0.437 -14.133 -11.268 1.00 63.41 H new ATOM 0 HG23 VAL A 29 1.592 -12.804 -11.527 1.00 63.41 H new ATOM 460 N GLY A 30 4.516 -17.003 -10.666 1.00 44.41 N ATOM 461 CA GLY A 30 5.523 -18.021 -10.976 1.00 3.23 C ATOM 462 C GLY A 30 6.773 -17.491 -11.679 1.00 5.54 C ATOM 463 O GLY A 30 7.795 -17.223 -11.043 1.00 2.45 O ATOM 0 H GLY A 30 4.130 -17.074 -9.725 1.00 44.41 H new ATOM 0 HA2 GLY A 30 5.824 -18.509 -10.049 1.00 3.23 H new ATOM 0 HA3 GLY A 30 5.066 -18.785 -11.605 1.00 3.23 H new ATOM 467 N LYS A 31 6.672 -17.332 -12.997 1.00 1.21 N ATOM 468 CA LYS A 31 7.804 -16.933 -13.842 1.00 35.23 C ATOM 469 C LYS A 31 8.143 -15.441 -13.684 1.00 35.52 C ATOM 470 O LYS A 31 9.305 -15.045 -13.791 1.00 62.14 O ATOM 471 CB LYS A 31 7.506 -17.238 -15.325 1.00 71.24 C ATOM 472 CG LYS A 31 7.233 -18.715 -15.636 1.00 10.42 C ATOM 473 CD LYS A 31 5.845 -19.167 -15.182 1.00 70.43 C ATOM 474 CE LYS A 31 4.733 -18.394 -15.886 1.00 62.43 C ATOM 475 NZ LYS A 31 3.386 -18.809 -15.413 1.00 50.21 N ATOM 0 H LYS A 31 5.804 -17.475 -13.513 1.00 1.21 H new ATOM 0 HA LYS A 31 8.667 -17.513 -13.514 1.00 35.23 H new ATOM 0 HB2 LYS A 31 6.642 -16.650 -15.636 1.00 71.24 H new ATOM 0 HB3 LYS A 31 8.351 -16.905 -15.927 1.00 71.24 H new ATOM 0 HG2 LYS A 31 7.331 -18.880 -16.709 1.00 10.42 H new ATOM 0 HG3 LYS A 31 7.989 -19.330 -15.148 1.00 10.42 H new ATOM 0 HD2 LYS A 31 5.728 -20.232 -15.381 1.00 70.43 H new ATOM 0 HD3 LYS A 31 5.754 -19.032 -14.104 1.00 70.43 H new ATOM 0 HE2 LYS A 31 4.866 -17.326 -15.712 1.00 62.43 H new ATOM 0 HE3 LYS A 31 4.805 -18.553 -16.962 1.00 62.43 H new ATOM 0 HZ1 LYS A 31 2.658 -18.261 -15.915 1.00 50.21 H new ATOM 0 HZ2 LYS A 31 3.249 -19.822 -15.602 1.00 50.21 H new ATOM 0 HZ3 LYS A 31 3.308 -18.634 -14.391 1.00 50.21 H new ATOM 489 N GLY A 32 7.127 -14.612 -13.440 1.00 64.32 N ATOM 490 CA GLY A 32 7.344 -13.172 -13.312 1.00 44.35 C ATOM 491 C GLY A 32 6.401 -12.498 -12.316 1.00 21.35 C ATOM 492 O GLY A 32 5.991 -13.102 -11.323 1.00 50.20 O ATOM 0 H GLY A 32 6.158 -14.909 -13.328 1.00 64.32 H new ATOM 0 HA2 GLY A 32 8.374 -12.994 -13.002 1.00 44.35 H new ATOM 0 HA3 GLY A 32 7.220 -12.706 -14.290 1.00 44.35 H new ATOM 496 N THR A 33 6.069 -11.233 -12.581 1.00 34.45 N ATOM 497 CA THR A 33 5.172 -10.451 -11.715 1.00 53.03 C ATOM 498 C THR A 33 4.114 -9.703 -12.539 1.00 1.23 C ATOM 499 O THR A 33 4.332 -9.379 -13.710 1.00 60.51 O ATOM 500 CB THR A 33 5.952 -9.417 -10.862 1.00 5.51 C ATOM 501 OG1 THR A 33 6.729 -8.553 -11.708 1.00 1.43 O ATOM 502 CG2 THR A 33 6.872 -10.105 -9.858 1.00 62.53 C ATOM 0 H THR A 33 6.409 -10.721 -13.395 1.00 34.45 H new ATOM 0 HA THR A 33 4.685 -11.167 -11.053 1.00 53.03 H new ATOM 0 HB THR A 33 5.219 -8.826 -10.312 1.00 5.51 H new ATOM 0 HG1 THR A 33 7.214 -7.905 -11.156 1.00 1.43 H new ATOM 0 HG21 THR A 33 7.404 -9.352 -9.276 1.00 62.53 H new ATOM 0 HG22 THR A 33 6.279 -10.728 -9.189 1.00 62.53 H new ATOM 0 HG23 THR A 33 7.591 -10.727 -10.391 1.00 62.53 H new ATOM 510 N SER A 34 2.967 -9.435 -11.918 1.00 20.43 N ATOM 511 CA SER A 34 1.867 -8.707 -12.574 1.00 32.54 C ATOM 512 C SER A 34 1.075 -7.867 -11.560 1.00 33.42 C ATOM 513 O SER A 34 0.753 -8.345 -10.476 1.00 13.12 O ATOM 514 CB SER A 34 0.915 -9.689 -13.275 1.00 21.33 C ATOM 515 OG SER A 34 -0.214 -9.019 -13.822 1.00 62.12 O ATOM 0 H SER A 34 2.768 -9.710 -10.956 1.00 20.43 H new ATOM 0 HA SER A 34 2.309 -8.039 -13.313 1.00 32.54 H new ATOM 0 HB2 SER A 34 1.449 -10.212 -14.069 1.00 21.33 H new ATOM 0 HB3 SER A 34 0.582 -10.445 -12.564 1.00 21.33 H new ATOM 0 HG SER A 34 -0.799 -9.670 -14.262 1.00 62.12 H new ATOM 521 N PRO A 35 0.756 -6.598 -11.890 1.00 72.03 N ATOM 522 CA PRO A 35 -0.050 -5.731 -11.008 1.00 33.45 C ATOM 523 C PRO A 35 -1.422 -6.343 -10.660 1.00 61.21 C ATOM 524 O PRO A 35 -2.296 -6.473 -11.523 1.00 44.41 O ATOM 525 CB PRO A 35 -0.218 -4.439 -11.828 1.00 65.53 C ATOM 526 CG PRO A 35 0.917 -4.450 -12.797 1.00 42.43 C ATOM 527 CD PRO A 35 1.160 -5.899 -13.126 1.00 54.14 C ATOM 0 HA PRO A 35 0.433 -5.576 -10.043 1.00 33.45 H new ATOM 0 HB2 PRO A 35 -1.178 -4.420 -12.344 1.00 65.53 H new ATOM 0 HB3 PRO A 35 -0.183 -3.557 -11.188 1.00 65.53 H new ATOM 0 HG2 PRO A 35 0.671 -3.881 -13.694 1.00 42.43 H new ATOM 0 HG3 PRO A 35 1.806 -3.993 -12.363 1.00 42.43 H new ATOM 0 HD2 PRO A 35 0.569 -6.222 -13.983 1.00 54.14 H new ATOM 0 HD3 PRO A 35 2.205 -6.086 -13.371 1.00 54.14 H new ATOM 535 N LEU A 36 -1.607 -6.707 -9.392 1.00 0.44 N ATOM 536 CA LEU A 36 -2.847 -7.338 -8.930 1.00 70.20 C ATOM 537 C LEU A 36 -3.988 -6.315 -8.853 1.00 33.33 C ATOM 538 O LEU A 36 -5.090 -6.553 -9.347 1.00 5.11 O ATOM 539 CB LEU A 36 -2.625 -7.979 -7.551 1.00 31.11 C ATOM 540 CG LEU A 36 -3.843 -8.702 -6.948 1.00 31.23 C ATOM 541 CD1 LEU A 36 -4.166 -9.968 -7.732 1.00 64.23 C ATOM 542 CD2 LEU A 36 -3.608 -9.026 -5.477 1.00 21.34 C ATOM 0 H LEU A 36 -0.909 -6.575 -8.660 1.00 0.44 H new ATOM 0 HA LEU A 36 -3.127 -8.109 -9.647 1.00 70.20 H new ATOM 0 HB2 LEU A 36 -1.804 -8.692 -7.630 1.00 31.11 H new ATOM 0 HB3 LEU A 36 -2.306 -7.202 -6.856 1.00 31.11 H new ATOM 0 HG LEU A 36 -4.700 -8.032 -7.017 1.00 31.23 H new ATOM 0 HD11 LEU A 36 -5.030 -10.461 -7.287 1.00 64.23 H new ATOM 0 HD12 LEU A 36 -4.390 -9.708 -8.767 1.00 64.23 H new ATOM 0 HD13 LEU A 36 -3.310 -10.642 -7.704 1.00 64.23 H new ATOM 0 HD21 LEU A 36 -4.482 -9.537 -5.073 1.00 21.34 H new ATOM 0 HD22 LEU A 36 -2.735 -9.671 -5.382 1.00 21.34 H new ATOM 0 HD23 LEU A 36 -3.439 -8.102 -4.923 1.00 21.34 H new ATOM 554 N THR A 37 -3.716 -5.179 -8.215 1.00 21.40 N ATOM 555 CA THR A 37 -4.704 -4.095 -8.081 1.00 22.20 C ATOM 556 C THR A 37 -4.246 -2.832 -8.820 1.00 21.13 C ATOM 557 O THR A 37 -3.172 -2.806 -9.423 1.00 24.11 O ATOM 558 CB THR A 37 -4.956 -3.728 -6.595 1.00 43.23 C ATOM 559 OG1 THR A 37 -3.786 -3.120 -6.028 1.00 64.53 O ATOM 560 CG2 THR A 37 -5.333 -4.959 -5.777 1.00 70.25 C ATOM 0 H THR A 37 -2.816 -4.978 -7.778 1.00 21.40 H new ATOM 0 HA THR A 37 -5.629 -4.467 -8.522 1.00 22.20 H new ATOM 0 HB THR A 37 -5.787 -3.023 -6.565 1.00 43.23 H new ATOM 0 HG1 THR A 37 -4.036 -2.612 -5.228 1.00 64.53 H new ATOM 0 HG21 THR A 37 -5.503 -4.669 -4.740 1.00 70.25 H new ATOM 0 HG22 THR A 37 -6.242 -5.402 -6.184 1.00 70.25 H new ATOM 0 HG23 THR A 37 -4.523 -5.687 -5.822 1.00 70.25 H new ATOM 568 N SER A 38 -5.073 -1.788 -8.788 1.00 53.04 N ATOM 569 CA SER A 38 -4.701 -0.488 -9.364 1.00 20.42 C ATOM 570 C SER A 38 -4.205 0.469 -8.268 1.00 13.12 C ATOM 571 O SER A 38 -4.207 0.126 -7.086 1.00 54.21 O ATOM 572 CB SER A 38 -5.893 0.136 -10.107 1.00 0.04 C ATOM 573 OG SER A 38 -5.523 1.347 -10.756 1.00 20.12 O ATOM 0 H SER A 38 -6.004 -1.812 -8.371 1.00 53.04 H new ATOM 0 HA SER A 38 -3.892 -0.653 -10.076 1.00 20.42 H new ATOM 0 HB2 SER A 38 -6.276 -0.571 -10.843 1.00 0.04 H new ATOM 0 HB3 SER A 38 -6.701 0.331 -9.402 1.00 0.04 H new ATOM 0 HG SER A 38 -6.301 1.720 -11.221 1.00 20.12 H new ATOM 579 N TYR A 39 -3.780 1.667 -8.663 1.00 4.52 N ATOM 580 CA TYR A 39 -3.270 2.662 -7.709 1.00 1.11 C ATOM 581 C TYR A 39 -4.414 3.453 -7.053 1.00 20.15 C ATOM 582 O TYR A 39 -5.155 4.176 -7.724 1.00 25.15 O ATOM 583 CB TYR A 39 -2.300 3.629 -8.405 1.00 0.21 C ATOM 584 CG TYR A 39 -0.995 2.983 -8.840 1.00 74.14 C ATOM 585 CD1 TYR A 39 -0.904 2.281 -10.039 1.00 53.21 C ATOM 586 CD2 TYR A 39 0.147 3.077 -8.048 1.00 35.51 C ATOM 587 CE1 TYR A 39 0.284 1.696 -10.435 1.00 4.05 C ATOM 588 CE2 TYR A 39 1.338 2.494 -8.439 1.00 62.20 C ATOM 589 CZ TYR A 39 1.401 1.804 -9.631 1.00 14.45 C ATOM 590 OH TYR A 39 2.589 1.226 -10.029 1.00 13.32 O ATOM 0 H TYR A 39 -3.777 1.977 -9.635 1.00 4.52 H new ATOM 0 HA TYR A 39 -2.738 2.121 -6.927 1.00 1.11 H new ATOM 0 HB2 TYR A 39 -2.792 4.056 -9.279 1.00 0.21 H new ATOM 0 HB3 TYR A 39 -2.078 4.455 -7.729 1.00 0.21 H new ATOM 0 HD1 TYR A 39 -1.776 2.192 -10.670 1.00 53.21 H new ATOM 0 HD2 TYR A 39 0.101 3.615 -7.112 1.00 35.51 H new ATOM 0 HE1 TYR A 39 0.338 1.157 -11.369 1.00 4.05 H new ATOM 0 HE2 TYR A 39 2.215 2.579 -7.814 1.00 62.20 H new ATOM 0 HH TYR A 39 3.324 1.586 -9.491 1.00 13.32 H new ATOM 600 N PHE A 40 -4.557 3.305 -5.738 1.00 62.34 N ATOM 601 CA PHE A 40 -5.591 4.022 -4.978 1.00 71.02 C ATOM 602 C PHE A 40 -4.978 5.191 -4.184 1.00 1.13 C ATOM 603 O PHE A 40 -4.175 4.981 -3.275 1.00 43.53 O ATOM 604 CB PHE A 40 -6.310 3.047 -4.038 1.00 31.20 C ATOM 605 CG PHE A 40 -6.851 1.827 -4.747 1.00 41.44 C ATOM 606 CD1 PHE A 40 -7.866 1.948 -5.687 1.00 41.14 C ATOM 607 CD2 PHE A 40 -6.341 0.561 -4.481 1.00 12.32 C ATOM 608 CE1 PHE A 40 -8.360 0.836 -6.344 1.00 12.53 C ATOM 609 CE2 PHE A 40 -6.834 -0.552 -5.136 1.00 3.30 C ATOM 610 CZ PHE A 40 -7.845 -0.414 -6.068 1.00 11.40 C ATOM 0 H PHE A 40 -3.970 2.694 -5.170 1.00 62.34 H new ATOM 0 HA PHE A 40 -6.315 4.439 -5.678 1.00 71.02 H new ATOM 0 HB2 PHE A 40 -5.619 2.729 -3.257 1.00 31.20 H new ATOM 0 HB3 PHE A 40 -7.131 3.567 -3.545 1.00 31.20 H new ATOM 0 HD1 PHE A 40 -8.275 2.923 -5.908 1.00 41.14 H new ATOM 0 HD2 PHE A 40 -5.550 0.446 -3.754 1.00 12.32 H new ATOM 0 HE1 PHE A 40 -9.149 0.946 -7.073 1.00 12.53 H new ATOM 0 HE2 PHE A 40 -6.429 -1.529 -4.919 1.00 3.30 H new ATOM 0 HZ PHE A 40 -8.231 -1.283 -6.580 1.00 11.40 H new ATOM 620 N PHE A 41 -5.367 6.422 -4.535 1.00 53.12 N ATOM 621 CA PHE A 41 -4.754 7.635 -3.965 1.00 42.13 C ATOM 622 C PHE A 41 -5.463 8.134 -2.688 1.00 50.15 C ATOM 623 O PHE A 41 -6.638 8.499 -2.709 1.00 35.00 O ATOM 624 CB PHE A 41 -4.744 8.763 -5.013 1.00 52.20 C ATOM 625 CG PHE A 41 -3.843 8.502 -6.197 1.00 44.20 C ATOM 626 CD1 PHE A 41 -4.240 7.649 -7.217 1.00 32.32 C ATOM 627 CD2 PHE A 41 -2.598 9.113 -6.289 1.00 33.15 C ATOM 628 CE1 PHE A 41 -3.417 7.412 -8.303 1.00 51.25 C ATOM 629 CE2 PHE A 41 -1.773 8.879 -7.373 1.00 52.45 C ATOM 630 CZ PHE A 41 -2.182 8.027 -8.381 1.00 24.24 C ATOM 0 H PHE A 41 -6.106 6.608 -5.213 1.00 53.12 H new ATOM 0 HA PHE A 41 -3.737 7.362 -3.684 1.00 42.13 H new ATOM 0 HB2 PHE A 41 -5.761 8.918 -5.372 1.00 52.20 H new ATOM 0 HB3 PHE A 41 -4.431 9.689 -4.530 1.00 52.20 H new ATOM 0 HD1 PHE A 41 -5.204 7.164 -7.162 1.00 32.32 H new ATOM 0 HD2 PHE A 41 -2.271 9.779 -5.504 1.00 33.15 H new ATOM 0 HE1 PHE A 41 -3.740 6.746 -9.090 1.00 51.25 H new ATOM 0 HE2 PHE A 41 -0.809 9.362 -7.432 1.00 52.45 H new ATOM 0 HZ PHE A 41 -1.538 7.842 -9.228 1.00 24.24 H new ATOM 640 N TRP A 42 -4.720 8.159 -1.588 1.00 43.31 N ATOM 641 CA TRP A 42 -5.165 8.771 -0.328 1.00 21.14 C ATOM 642 C TRP A 42 -4.571 10.193 -0.191 1.00 54.34 C ATOM 643 O TRP A 42 -3.421 10.426 -0.572 1.00 33.25 O ATOM 644 CB TRP A 42 -4.743 7.862 0.849 1.00 23.52 C ATOM 645 CG TRP A 42 -4.506 8.569 2.160 1.00 63.21 C ATOM 646 CD1 TRP A 42 -3.322 9.086 2.601 1.00 72.22 C ATOM 647 CD2 TRP A 42 -5.457 8.814 3.208 1.00 64.23 C ATOM 648 NE1 TRP A 42 -3.475 9.645 3.840 1.00 73.44 N ATOM 649 CE2 TRP A 42 -4.774 9.496 4.238 1.00 0.13 C ATOM 650 CE3 TRP A 42 -6.814 8.533 3.374 1.00 62.53 C ATOM 651 CZ2 TRP A 42 -5.400 9.897 5.412 1.00 42.25 C ATOM 652 CZ3 TRP A 42 -7.436 8.931 4.544 1.00 32.20 C ATOM 653 CH2 TRP A 42 -6.729 9.609 5.548 1.00 32.24 C ATOM 0 H TRP A 42 -3.785 7.754 -1.538 1.00 43.31 H new ATOM 0 HA TRP A 42 -6.251 8.868 -0.320 1.00 21.14 H new ATOM 0 HB2 TRP A 42 -5.515 7.107 0.997 1.00 23.52 H new ATOM 0 HB3 TRP A 42 -3.831 7.335 0.570 1.00 23.52 H new ATOM 0 HD1 TRP A 42 -2.394 9.058 2.049 1.00 72.22 H new ATOM 0 HE1 TRP A 42 -2.739 10.100 4.380 1.00 73.44 H new ATOM 0 HE3 TRP A 42 -7.367 8.015 2.605 1.00 62.53 H new ATOM 0 HZ2 TRP A 42 -4.857 10.417 6.188 1.00 42.25 H new ATOM 0 HZ3 TRP A 42 -8.485 8.716 4.687 1.00 32.20 H new ATOM 0 HH2 TRP A 42 -7.246 9.910 6.447 1.00 32.24 H new ATOM 664 N PRO A 43 -5.338 11.184 0.326 1.00 43.42 N ATOM 665 CA PRO A 43 -6.737 11.023 0.753 1.00 53.44 C ATOM 666 C PRO A 43 -7.758 11.382 -0.343 1.00 4.44 C ATOM 667 O PRO A 43 -8.877 11.807 -0.048 1.00 65.01 O ATOM 668 CB PRO A 43 -6.812 12.023 1.909 1.00 3.13 C ATOM 669 CG PRO A 43 -5.932 13.156 1.478 1.00 31.22 C ATOM 670 CD PRO A 43 -4.869 12.563 0.572 1.00 72.23 C ATOM 0 HA PRO A 43 -6.984 9.992 1.008 1.00 53.44 H new ATOM 0 HB2 PRO A 43 -7.835 12.357 2.080 1.00 3.13 H new ATOM 0 HB3 PRO A 43 -6.462 11.580 2.841 1.00 3.13 H new ATOM 0 HG2 PRO A 43 -6.510 13.916 0.951 1.00 31.22 H new ATOM 0 HG3 PRO A 43 -5.477 13.643 2.341 1.00 31.22 H new ATOM 0 HD2 PRO A 43 -4.778 13.125 -0.357 1.00 72.23 H new ATOM 0 HD3 PRO A 43 -3.888 12.572 1.048 1.00 72.23 H new ATOM 678 N ARG A 44 -7.374 11.195 -1.604 1.00 40.05 N ATOM 679 CA ARG A 44 -8.250 11.521 -2.741 1.00 73.32 C ATOM 680 C ARG A 44 -9.433 10.542 -2.839 1.00 50.35 C ATOM 681 O ARG A 44 -10.496 10.884 -3.357 1.00 15.15 O ATOM 682 CB ARG A 44 -7.442 11.507 -4.048 1.00 11.41 C ATOM 683 CG ARG A 44 -6.173 12.352 -3.988 1.00 21.32 C ATOM 684 CD ARG A 44 -6.472 13.818 -3.689 1.00 35.23 C ATOM 685 NE ARG A 44 -5.262 14.564 -3.349 1.00 21.43 N ATOM 686 CZ ARG A 44 -5.244 15.821 -3.013 1.00 14.54 C ATOM 687 NH1 ARG A 44 -6.323 16.532 -3.065 1.00 15.22 N ATOM 688 NH2 ARG A 44 -4.133 16.376 -2.656 1.00 20.24 N ATOM 0 H ARG A 44 -6.464 10.820 -1.870 1.00 40.05 H new ATOM 0 HA ARG A 44 -8.656 12.519 -2.578 1.00 73.32 H new ATOM 0 HB2 ARG A 44 -7.173 10.478 -4.289 1.00 11.41 H new ATOM 0 HB3 ARG A 44 -8.073 11.870 -4.860 1.00 11.41 H new ATOM 0 HG2 ARG A 44 -5.509 11.954 -3.220 1.00 21.32 H new ATOM 0 HG3 ARG A 44 -5.643 12.277 -4.938 1.00 21.32 H new ATOM 0 HD2 ARG A 44 -6.948 14.275 -4.556 1.00 35.23 H new ATOM 0 HD3 ARG A 44 -7.182 13.883 -2.864 1.00 35.23 H new ATOM 0 HE ARG A 44 -4.372 14.066 -3.377 1.00 21.43 H new ATOM 0 HH11 ARG A 44 -7.199 16.108 -3.372 1.00 15.22 H new ATOM 0 HH12 ARG A 44 -6.298 17.517 -2.799 1.00 15.22 H new ATOM 0 HH21 ARG A 44 -3.272 15.829 -2.638 1.00 20.24 H new ATOM 0 HH22 ARG A 44 -4.117 17.361 -2.392 1.00 20.24 H new ATOM 702 N ALA A 45 -9.230 9.324 -2.349 1.00 50.15 N ATOM 703 CA ALA A 45 -10.273 8.297 -2.334 1.00 24.11 C ATOM 704 C ALA A 45 -10.048 7.300 -1.189 1.00 14.40 C ATOM 705 O ALA A 45 -9.011 7.331 -0.522 1.00 63.14 O ATOM 706 CB ALA A 45 -10.307 7.567 -3.671 1.00 3.32 C ATOM 0 H ALA A 45 -8.342 9.018 -1.951 1.00 50.15 H new ATOM 0 HA ALA A 45 -11.233 8.787 -2.171 1.00 24.11 H new ATOM 0 HB1 ALA A 45 -11.086 6.805 -3.650 1.00 3.32 H new ATOM 0 HB2 ALA A 45 -10.517 8.279 -4.469 1.00 3.32 H new ATOM 0 HB3 ALA A 45 -9.342 7.094 -3.852 1.00 3.32 H new ATOM 712 N ASP A 46 -11.020 6.419 -0.965 1.00 5.25 N ATOM 713 CA ASP A 46 -10.899 5.373 0.055 1.00 34.03 C ATOM 714 C ASP A 46 -9.850 4.322 -0.345 1.00 54.34 C ATOM 715 O ASP A 46 -10.186 3.217 -0.775 1.00 63.43 O ATOM 716 CB ASP A 46 -12.258 4.711 0.287 1.00 72.11 C ATOM 717 CG ASP A 46 -13.289 5.699 0.796 1.00 60.33 C ATOM 718 OD1 ASP A 46 -13.915 6.389 -0.033 1.00 1.12 O ATOM 719 OD2 ASP A 46 -13.466 5.798 2.029 1.00 62.11 O ATOM 0 H ASP A 46 -11.903 6.406 -1.476 1.00 5.25 H new ATOM 0 HA ASP A 46 -10.566 5.838 0.983 1.00 34.03 H new ATOM 0 HB2 ASP A 46 -12.609 4.267 -0.645 1.00 72.11 H new ATOM 0 HB3 ASP A 46 -12.148 3.899 1.005 1.00 72.11 H new ATOM 724 N ALA A 47 -8.579 4.687 -0.208 1.00 10.21 N ATOM 725 CA ALA A 47 -7.461 3.824 -0.609 1.00 21.55 C ATOM 726 C ALA A 47 -7.537 2.427 0.029 1.00 61.21 C ATOM 727 O ALA A 47 -7.523 1.413 -0.671 1.00 23.02 O ATOM 728 CB ALA A 47 -6.133 4.494 -0.263 1.00 22.05 C ATOM 0 H ALA A 47 -8.290 5.584 0.182 1.00 10.21 H new ATOM 0 HA ALA A 47 -7.530 3.685 -1.688 1.00 21.55 H new ATOM 0 HB1 ALA A 47 -5.309 3.846 -0.564 1.00 22.05 H new ATOM 0 HB2 ALA A 47 -6.058 5.446 -0.789 1.00 22.05 H new ATOM 0 HB3 ALA A 47 -6.083 4.669 0.812 1.00 22.05 H new ATOM 734 N TRP A 48 -7.636 2.383 1.354 1.00 25.33 N ATOM 735 CA TRP A 48 -7.645 1.115 2.092 1.00 63.40 C ATOM 736 C TRP A 48 -8.880 0.260 1.746 1.00 24.22 C ATOM 737 O TRP A 48 -8.763 -0.939 1.481 1.00 23.23 O ATOM 738 CB TRP A 48 -7.591 1.393 3.602 1.00 75.31 C ATOM 739 CG TRP A 48 -7.356 0.167 4.436 1.00 72.13 C ATOM 740 CD1 TRP A 48 -6.183 -0.522 4.560 1.00 65.31 C ATOM 741 CD2 TRP A 48 -8.310 -0.508 5.266 1.00 4.42 C ATOM 742 NE1 TRP A 48 -6.350 -1.586 5.410 1.00 51.15 N ATOM 743 CE2 TRP A 48 -7.645 -1.600 5.859 1.00 34.14 C ATOM 744 CE3 TRP A 48 -9.661 -0.298 5.566 1.00 23.14 C ATOM 745 CZ2 TRP A 48 -8.285 -2.476 6.733 1.00 30.12 C ATOM 746 CZ3 TRP A 48 -10.295 -1.168 6.434 1.00 15.20 C ATOM 747 CH2 TRP A 48 -9.606 -2.245 7.009 1.00 23.22 C ATOM 0 H TRP A 48 -7.712 3.211 1.944 1.00 25.33 H new ATOM 0 HA TRP A 48 -6.764 0.546 1.796 1.00 63.40 H new ATOM 0 HB2 TRP A 48 -6.798 2.114 3.801 1.00 75.31 H new ATOM 0 HB3 TRP A 48 -8.528 1.857 3.910 1.00 75.31 H new ATOM 0 HD1 TRP A 48 -5.259 -0.267 4.062 1.00 65.31 H new ATOM 0 HE1 TRP A 48 -5.627 -2.258 5.666 1.00 51.15 H new ATOM 0 HE3 TRP A 48 -10.199 0.529 5.127 1.00 23.14 H new ATOM 0 HZ2 TRP A 48 -7.758 -3.308 7.177 1.00 30.12 H new ATOM 0 HZ3 TRP A 48 -11.337 -1.015 6.673 1.00 15.20 H new ATOM 0 HH2 TRP A 48 -10.128 -2.907 7.684 1.00 23.22 H new ATOM 758 N GLN A 49 -10.062 0.885 1.741 1.00 1.10 N ATOM 759 CA GLN A 49 -11.311 0.182 1.412 1.00 42.04 C ATOM 760 C GLN A 49 -11.280 -0.393 -0.014 1.00 3.43 C ATOM 761 O GLN A 49 -11.599 -1.561 -0.228 1.00 11.41 O ATOM 762 CB GLN A 49 -12.518 1.122 1.578 1.00 73.13 C ATOM 763 CG GLN A 49 -13.855 0.509 1.148 1.00 31.30 C ATOM 764 CD GLN A 49 -14.211 -0.767 1.901 1.00 40.35 C ATOM 765 OE1 GLN A 49 -13.806 -0.868 3.150 1.00 14.20 O flip ATOM 766 NE2 GLN A 49 -14.866 -1.654 1.364 1.00 15.34 N flip ATOM 0 H GLN A 49 -10.182 1.874 1.960 1.00 1.10 H new ATOM 0 HA GLN A 49 -11.410 -0.652 2.107 1.00 42.04 H new ATOM 0 HB2 GLN A 49 -12.589 1.423 2.623 1.00 73.13 H new ATOM 0 HB3 GLN A 49 -12.342 2.027 0.996 1.00 73.13 H new ATOM 0 HG2 GLN A 49 -14.647 1.243 1.299 1.00 31.30 H new ATOM 0 HG3 GLN A 49 -13.820 0.293 0.080 1.00 31.30 H new ATOM 0 HE21 GLN A 49 -15.167 -1.550 0.395 1.00 15.34 H new ATOM 0 HE22 GLN A 49 -15.110 -2.495 1.886 1.00 15.34 H new ATOM 775 N GLN A 50 -10.893 0.431 -0.984 1.00 53.53 N ATOM 776 CA GLN A 50 -10.805 -0.009 -2.381 1.00 20.33 C ATOM 777 C GLN A 50 -9.784 -1.150 -2.555 1.00 44.12 C ATOM 778 O GLN A 50 -10.035 -2.112 -3.281 1.00 73.40 O ATOM 779 CB GLN A 50 -10.439 1.176 -3.282 1.00 74.14 C ATOM 780 CG GLN A 50 -11.526 2.249 -3.360 1.00 73.21 C ATOM 781 CD GLN A 50 -11.088 3.494 -4.122 1.00 32.14 C ATOM 782 OE1 GLN A 50 -9.819 3.841 -4.031 1.00 61.41 O flip ATOM 783 NE2 GLN A 50 -11.890 4.155 -4.769 1.00 2.21 N flip ATOM 0 H GLN A 50 -10.635 1.406 -0.833 1.00 53.53 H new ATOM 0 HA GLN A 50 -11.782 -0.395 -2.673 1.00 20.33 H new ATOM 0 HB2 GLN A 50 -9.519 1.630 -2.914 1.00 74.14 H new ATOM 0 HB3 GLN A 50 -10.233 0.807 -4.287 1.00 74.14 H new ATOM 0 HG2 GLN A 50 -12.409 1.828 -3.841 1.00 73.21 H new ATOM 0 HG3 GLN A 50 -11.819 2.534 -2.350 1.00 73.21 H new ATOM 0 HE21 GLN A 50 -12.866 3.863 -4.822 1.00 2.21 H new ATOM 0 HE22 GLN A 50 -11.582 4.997 -5.255 1.00 2.21 H new ATOM 792 N LEU A 51 -8.640 -1.041 -1.878 1.00 44.13 N ATOM 793 CA LEU A 51 -7.610 -2.085 -1.936 1.00 33.41 C ATOM 794 C LEU A 51 -8.130 -3.422 -1.383 1.00 33.12 C ATOM 795 O LEU A 51 -8.051 -4.457 -2.053 1.00 32.14 O ATOM 796 CB LEU A 51 -6.358 -1.650 -1.162 1.00 25.20 C ATOM 797 CG LEU A 51 -5.202 -2.668 -1.172 1.00 4.40 C ATOM 798 CD1 LEU A 51 -4.752 -2.961 -2.601 1.00 23.04 C ATOM 799 CD2 LEU A 51 -4.028 -2.177 -0.324 1.00 33.11 C ATOM 0 H LEU A 51 -8.402 -0.246 -1.285 1.00 44.13 H new ATOM 0 HA LEU A 51 -7.350 -2.230 -2.984 1.00 33.41 H new ATOM 0 HB2 LEU A 51 -5.998 -0.710 -1.581 1.00 25.20 H new ATOM 0 HB3 LEU A 51 -6.639 -1.452 -0.128 1.00 25.20 H new ATOM 0 HG LEU A 51 -5.568 -3.595 -0.732 1.00 4.40 H new ATOM 0 HD11 LEU A 51 -3.935 -3.682 -2.584 1.00 23.04 H new ATOM 0 HD12 LEU A 51 -5.587 -3.372 -3.168 1.00 23.04 H new ATOM 0 HD13 LEU A 51 -4.412 -2.039 -3.072 1.00 23.04 H new ATOM 0 HD21 LEU A 51 -3.227 -2.916 -0.349 1.00 33.11 H new ATOM 0 HD22 LEU A 51 -3.662 -1.231 -0.722 1.00 33.11 H new ATOM 0 HD23 LEU A 51 -4.357 -2.034 0.705 1.00 33.11 H new ATOM 811 N LYS A 52 -8.663 -3.398 -0.162 1.00 20.12 N ATOM 812 CA LYS A 52 -9.171 -4.621 0.475 1.00 1.53 C ATOM 813 C LYS A 52 -10.335 -5.223 -0.323 1.00 30.31 C ATOM 814 O LYS A 52 -10.455 -6.440 -0.430 1.00 53.42 O ATOM 815 CB LYS A 52 -9.607 -4.348 1.924 1.00 40.54 C ATOM 816 CG LYS A 52 -10.891 -3.535 2.061 1.00 33.34 C ATOM 817 CD LYS A 52 -11.183 -3.175 3.515 1.00 24.23 C ATOM 818 CE LYS A 52 -11.303 -4.408 4.406 1.00 24.01 C ATOM 819 NZ LYS A 52 -12.487 -5.244 4.063 1.00 71.32 N ATOM 0 H LYS A 52 -8.756 -2.555 0.405 1.00 20.12 H new ATOM 0 HA LYS A 52 -8.355 -5.344 0.488 1.00 1.53 H new ATOM 0 HB2 LYS A 52 -9.741 -5.302 2.435 1.00 40.54 H new ATOM 0 HB3 LYS A 52 -8.803 -3.821 2.438 1.00 40.54 H new ATOM 0 HG2 LYS A 52 -10.808 -2.623 1.471 1.00 33.34 H new ATOM 0 HG3 LYS A 52 -11.726 -4.104 1.653 1.00 33.34 H new ATOM 0 HD2 LYS A 52 -10.389 -2.532 3.894 1.00 24.23 H new ATOM 0 HD3 LYS A 52 -12.109 -2.602 3.566 1.00 24.23 H new ATOM 0 HE2 LYS A 52 -10.398 -5.009 4.314 1.00 24.01 H new ATOM 0 HE3 LYS A 52 -11.372 -4.095 5.448 1.00 24.01 H new ATOM 0 HZ1 LYS A 52 -12.563 -6.031 4.738 1.00 71.32 H new ATOM 0 HZ2 LYS A 52 -13.348 -4.663 4.110 1.00 71.32 H new ATOM 0 HZ3 LYS A 52 -12.378 -5.623 3.101 1.00 71.32 H new ATOM 833 N ASP A 53 -11.180 -4.363 -0.896 1.00 60.13 N ATOM 834 CA ASP A 53 -12.316 -4.811 -1.702 1.00 21.13 C ATOM 835 C ASP A 53 -11.843 -5.641 -2.909 1.00 10.22 C ATOM 836 O ASP A 53 -12.421 -6.686 -3.215 1.00 34.14 O ATOM 837 CB ASP A 53 -13.138 -3.606 -2.168 1.00 33.15 C ATOM 838 CG ASP A 53 -14.429 -4.020 -2.848 1.00 64.15 C ATOM 839 OD1 ASP A 53 -15.327 -4.540 -2.150 1.00 42.20 O ATOM 840 OD2 ASP A 53 -14.558 -3.821 -4.072 1.00 64.31 O ATOM 0 H ASP A 53 -11.098 -3.349 -0.816 1.00 60.13 H new ATOM 0 HA ASP A 53 -12.946 -5.449 -1.083 1.00 21.13 H new ATOM 0 HB2 ASP A 53 -13.368 -2.972 -1.311 1.00 33.15 H new ATOM 0 HB3 ASP A 53 -12.543 -3.007 -2.857 1.00 33.15 H new ATOM 845 N GLU A 54 -10.794 -5.164 -3.585 1.00 34.35 N ATOM 846 CA GLU A 54 -10.158 -5.919 -4.671 1.00 62.41 C ATOM 847 C GLU A 54 -9.646 -7.280 -4.171 1.00 33.34 C ATOM 848 O GLU A 54 -9.886 -8.313 -4.793 1.00 11.11 O ATOM 849 CB GLU A 54 -8.985 -5.119 -5.261 1.00 35.34 C ATOM 850 CG GLU A 54 -9.394 -3.834 -5.972 1.00 0.11 C ATOM 851 CD GLU A 54 -10.166 -4.092 -7.256 1.00 42.25 C ATOM 852 OE1 GLU A 54 -9.526 -4.377 -8.290 1.00 74.05 O ATOM 853 OE2 GLU A 54 -11.412 -4.018 -7.240 1.00 1.31 O ATOM 0 H GLU A 54 -10.366 -4.257 -3.400 1.00 34.35 H new ATOM 0 HA GLU A 54 -10.909 -6.089 -5.443 1.00 62.41 H new ATOM 0 HB2 GLU A 54 -8.290 -4.871 -4.459 1.00 35.34 H new ATOM 0 HB3 GLU A 54 -8.446 -5.753 -5.964 1.00 35.34 H new ATOM 0 HG2 GLU A 54 -10.006 -3.231 -5.300 1.00 0.11 H new ATOM 0 HG3 GLU A 54 -8.502 -3.251 -6.201 1.00 0.11 H new ATOM 860 N LEU A 55 -8.948 -7.264 -3.038 1.00 21.45 N ATOM 861 CA LEU A 55 -8.391 -8.485 -2.445 1.00 60.23 C ATOM 862 C LEU A 55 -9.494 -9.482 -2.037 1.00 44.44 C ATOM 863 O LEU A 55 -9.321 -10.695 -2.159 1.00 0.14 O ATOM 864 CB LEU A 55 -7.528 -8.121 -1.230 1.00 34.14 C ATOM 865 CG LEU A 55 -6.322 -7.212 -1.533 1.00 60.13 C ATOM 866 CD1 LEU A 55 -5.611 -6.803 -0.244 1.00 14.31 C ATOM 867 CD2 LEU A 55 -5.353 -7.907 -2.491 1.00 21.40 C ATOM 0 H LEU A 55 -8.752 -6.416 -2.507 1.00 21.45 H new ATOM 0 HA LEU A 55 -7.775 -8.974 -3.200 1.00 60.23 H new ATOM 0 HB2 LEU A 55 -8.159 -7.627 -0.491 1.00 34.14 H new ATOM 0 HB3 LEU A 55 -7.164 -9.042 -0.774 1.00 34.14 H new ATOM 0 HG LEU A 55 -6.690 -6.307 -2.016 1.00 60.13 H new ATOM 0 HD11 LEU A 55 -4.763 -6.162 -0.484 1.00 14.31 H new ATOM 0 HD12 LEU A 55 -6.305 -6.261 0.398 1.00 14.31 H new ATOM 0 HD13 LEU A 55 -5.257 -7.694 0.275 1.00 14.31 H new ATOM 0 HD21 LEU A 55 -4.507 -7.250 -2.693 1.00 21.40 H new ATOM 0 HD22 LEU A 55 -4.994 -8.831 -2.038 1.00 21.40 H new ATOM 0 HD23 LEU A 55 -5.866 -8.136 -3.425 1.00 21.40 H new ATOM 879 N GLU A 56 -10.620 -8.963 -1.551 1.00 4.11 N ATOM 880 CA GLU A 56 -11.765 -9.804 -1.176 1.00 24.42 C ATOM 881 C GLU A 56 -12.539 -10.284 -2.418 1.00 50.23 C ATOM 882 O GLU A 56 -13.094 -11.386 -2.432 1.00 70.12 O ATOM 883 CB GLU A 56 -12.703 -9.040 -0.227 1.00 61.33 C ATOM 884 CG GLU A 56 -12.039 -8.627 1.088 1.00 25.40 C ATOM 885 CD GLU A 56 -12.970 -7.851 2.013 1.00 3.22 C ATOM 886 OE1 GLU A 56 -13.165 -6.636 1.791 1.00 23.44 O ATOM 887 OE2 GLU A 56 -13.502 -8.451 2.973 1.00 41.11 O ATOM 0 H GLU A 56 -10.768 -7.964 -1.406 1.00 4.11 H new ATOM 0 HA GLU A 56 -11.378 -10.683 -0.660 1.00 24.42 H new ATOM 0 HB2 GLU A 56 -13.072 -8.148 -0.734 1.00 61.33 H new ATOM 0 HB3 GLU A 56 -13.570 -9.663 -0.007 1.00 61.33 H new ATOM 0 HG2 GLU A 56 -11.685 -9.519 1.605 1.00 25.40 H new ATOM 0 HG3 GLU A 56 -11.163 -8.016 0.869 1.00 25.40 H new ATOM 894 N ALA A 57 -12.575 -9.447 -3.456 1.00 12.33 N ATOM 895 CA ALA A 57 -13.221 -9.805 -4.726 1.00 12.23 C ATOM 896 C ALA A 57 -12.443 -10.917 -5.443 1.00 14.10 C ATOM 897 O ALA A 57 -13.028 -11.819 -6.047 1.00 71.30 O ATOM 898 CB ALA A 57 -13.344 -8.578 -5.622 1.00 62.14 C ATOM 0 H ALA A 57 -12.164 -8.513 -3.445 1.00 12.33 H new ATOM 0 HA ALA A 57 -14.221 -10.179 -4.506 1.00 12.23 H new ATOM 0 HB1 ALA A 57 -13.824 -8.859 -6.559 1.00 62.14 H new ATOM 0 HB2 ALA A 57 -13.944 -7.819 -5.120 1.00 62.14 H new ATOM 0 HB3 ALA A 57 -12.352 -8.177 -5.829 1.00 62.14 H new ATOM 904 N LYS A 58 -11.116 -10.837 -5.383 1.00 70.14 N ATOM 905 CA LYS A 58 -10.249 -11.893 -5.909 1.00 52.23 C ATOM 906 C LYS A 58 -10.095 -13.006 -4.858 1.00 72.00 C ATOM 907 O LYS A 58 -9.173 -12.994 -4.042 1.00 40.31 O ATOM 908 CB LYS A 58 -8.881 -11.309 -6.287 1.00 14.45 C ATOM 909 CG LYS A 58 -8.958 -10.142 -7.271 1.00 75.00 C ATOM 910 CD LYS A 58 -7.614 -9.437 -7.418 1.00 2.53 C ATOM 911 CE LYS A 58 -7.706 -8.203 -8.312 1.00 55.40 C ATOM 912 NZ LYS A 58 -8.050 -8.542 -9.719 1.00 32.14 N ATOM 0 H LYS A 58 -10.614 -10.049 -4.974 1.00 70.14 H new ATOM 0 HA LYS A 58 -10.699 -12.319 -6.806 1.00 52.23 H new ATOM 0 HB2 LYS A 58 -8.376 -10.975 -5.381 1.00 14.45 H new ATOM 0 HB3 LYS A 58 -8.267 -12.098 -6.721 1.00 14.45 H new ATOM 0 HG2 LYS A 58 -9.285 -10.508 -8.244 1.00 75.00 H new ATOM 0 HG3 LYS A 58 -9.708 -9.428 -6.930 1.00 75.00 H new ATOM 0 HD2 LYS A 58 -7.249 -9.144 -6.433 1.00 2.53 H new ATOM 0 HD3 LYS A 58 -6.885 -10.132 -7.834 1.00 2.53 H new ATOM 0 HE2 LYS A 58 -8.458 -7.524 -7.911 1.00 55.40 H new ATOM 0 HE3 LYS A 58 -6.754 -7.672 -8.292 1.00 55.40 H new ATOM 0 HZ1 LYS A 58 -8.034 -7.678 -10.298 1.00 32.14 H new ATOM 0 HZ2 LYS A 58 -7.357 -9.222 -10.092 1.00 32.14 H new ATOM 0 HZ3 LYS A 58 -9.000 -8.963 -9.752 1.00 32.14 H new ATOM 926 N HIS A 59 -11.011 -13.967 -4.894 1.00 63.00 N ATOM 927 CA HIS A 59 -11.163 -14.959 -3.819 1.00 20.43 C ATOM 928 C HIS A 59 -9.937 -15.874 -3.644 1.00 14.30 C ATOM 929 O HIS A 59 -9.817 -16.564 -2.630 1.00 32.30 O ATOM 930 CB HIS A 59 -12.420 -15.799 -4.072 1.00 74.52 C ATOM 931 CG HIS A 59 -13.662 -14.968 -4.197 1.00 13.14 C ATOM 932 ND1 HIS A 59 -14.183 -14.565 -5.408 1.00 23.31 N ATOM 933 CD2 HIS A 59 -14.472 -14.441 -3.251 1.00 20.31 C ATOM 934 CE1 HIS A 59 -15.255 -13.828 -5.200 1.00 65.14 C ATOM 935 NE2 HIS A 59 -15.454 -13.738 -3.901 1.00 33.54 N ATOM 0 H HIS A 59 -11.670 -14.086 -5.663 1.00 63.00 H new ATOM 0 HA HIS A 59 -11.258 -14.402 -2.887 1.00 20.43 H new ATOM 0 HB2 HIS A 59 -12.285 -16.380 -4.984 1.00 74.52 H new ATOM 0 HB3 HIS A 59 -12.546 -16.511 -3.256 1.00 74.52 H new ATOM 0 HD2 HIS A 59 -14.365 -14.553 -2.182 1.00 20.31 H new ATOM 0 HE1 HIS A 59 -15.867 -13.374 -5.965 1.00 65.14 H new ATOM 0 HE2 HIS A 59 -16.215 -13.228 -3.452 1.00 33.54 H new ATOM 944 N TRP A 60 -9.027 -15.883 -4.616 1.00 52.14 N ATOM 945 CA TRP A 60 -7.815 -16.705 -4.510 1.00 74.13 C ATOM 946 C TRP A 60 -6.745 -16.043 -3.616 1.00 13.00 C ATOM 947 O TRP A 60 -5.732 -16.662 -3.286 1.00 62.02 O ATOM 948 CB TRP A 60 -7.248 -17.034 -5.902 1.00 14.20 C ATOM 949 CG TRP A 60 -6.800 -15.842 -6.704 1.00 23.44 C ATOM 950 CD1 TRP A 60 -7.592 -14.931 -7.342 1.00 51.02 C ATOM 951 CD2 TRP A 60 -5.447 -15.453 -6.974 1.00 34.35 C ATOM 952 NE1 TRP A 60 -6.816 -13.996 -7.982 1.00 11.02 N ATOM 953 CE2 TRP A 60 -5.496 -14.296 -7.773 1.00 25.03 C ATOM 954 CE3 TRP A 60 -4.200 -15.970 -6.614 1.00 54.00 C ATOM 955 CZ2 TRP A 60 -4.346 -13.649 -8.217 1.00 1.42 C ATOM 956 CZ3 TRP A 60 -3.059 -15.327 -7.056 1.00 54.41 C ATOM 957 CH2 TRP A 60 -3.139 -14.177 -7.850 1.00 13.42 C ATOM 0 H TRP A 60 -9.100 -15.340 -5.476 1.00 52.14 H new ATOM 0 HA TRP A 60 -8.100 -17.641 -4.030 1.00 74.13 H new ATOM 0 HB2 TRP A 60 -6.402 -17.711 -5.783 1.00 14.20 H new ATOM 0 HB3 TRP A 60 -8.008 -17.570 -6.470 1.00 14.20 H new ATOM 0 HD1 TRP A 60 -8.672 -14.944 -7.343 1.00 51.02 H new ATOM 0 HE1 TRP A 60 -7.166 -13.206 -8.525 1.00 11.02 H new ATOM 0 HE3 TRP A 60 -4.129 -16.856 -6.001 1.00 54.00 H new ATOM 0 HZ2 TRP A 60 -4.405 -12.762 -8.830 1.00 1.42 H new ATOM 0 HZ3 TRP A 60 -2.090 -15.718 -6.784 1.00 54.41 H new ATOM 0 HH2 TRP A 60 -2.229 -13.697 -8.179 1.00 13.42 H new ATOM 968 N ILE A 61 -6.975 -14.785 -3.224 1.00 44.44 N ATOM 969 CA ILE A 61 -6.109 -14.103 -2.250 1.00 42.20 C ATOM 970 C ILE A 61 -6.457 -14.558 -0.824 1.00 5.12 C ATOM 971 O ILE A 61 -7.524 -14.229 -0.299 1.00 32.34 O ATOM 972 CB ILE A 61 -6.230 -12.548 -2.341 1.00 72.22 C ATOM 973 CG1 ILE A 61 -5.511 -11.994 -3.588 1.00 4.12 C ATOM 974 CG2 ILE A 61 -5.666 -11.880 -1.084 1.00 43.21 C ATOM 975 CD1 ILE A 61 -6.003 -12.549 -4.904 1.00 12.45 C ATOM 0 H ILE A 61 -7.751 -14.218 -3.564 1.00 44.44 H new ATOM 0 HA ILE A 61 -5.081 -14.374 -2.489 1.00 42.20 H new ATOM 0 HB ILE A 61 -7.292 -12.315 -2.423 1.00 72.22 H new ATOM 0 HG12 ILE A 61 -5.623 -10.910 -3.603 1.00 4.12 H new ATOM 0 HG13 ILE A 61 -4.445 -12.203 -3.498 1.00 4.12 H new ATOM 0 HG21 ILE A 61 -5.762 -10.798 -1.173 1.00 43.21 H new ATOM 0 HG22 ILE A 61 -6.220 -12.223 -0.210 1.00 43.21 H new ATOM 0 HG23 ILE A 61 -4.614 -12.143 -0.973 1.00 43.21 H new ATOM 0 HD11 ILE A 61 -5.438 -12.101 -5.722 1.00 12.45 H new ATOM 0 HD12 ILE A 61 -5.865 -13.630 -4.917 1.00 12.45 H new ATOM 0 HD13 ILE A 61 -7.061 -12.317 -5.024 1.00 12.45 H new ATOM 987 N ALA A 62 -5.559 -15.323 -0.208 1.00 41.05 N ATOM 988 CA ALA A 62 -5.790 -15.867 1.133 1.00 73.31 C ATOM 989 C ALA A 62 -5.908 -14.766 2.202 1.00 15.23 C ATOM 990 O ALA A 62 -5.375 -13.663 2.044 1.00 44.12 O ATOM 991 CB ALA A 62 -4.682 -16.848 1.497 1.00 51.14 C ATOM 0 H ALA A 62 -4.661 -15.582 -0.616 1.00 41.05 H new ATOM 0 HA ALA A 62 -6.746 -16.391 1.111 1.00 73.31 H new ATOM 0 HB1 ALA A 62 -4.863 -17.247 2.495 1.00 51.14 H new ATOM 0 HB2 ALA A 62 -4.669 -17.666 0.776 1.00 51.14 H new ATOM 0 HB3 ALA A 62 -3.721 -16.334 1.480 1.00 51.14 H new ATOM 997 N GLU A 63 -6.616 -15.081 3.291 1.00 33.02 N ATOM 998 CA GLU A 63 -6.798 -14.150 4.412 1.00 42.12 C ATOM 999 C GLU A 63 -5.464 -13.550 4.891 1.00 24.11 C ATOM 1000 O GLU A 63 -5.301 -12.331 4.930 1.00 51.50 O ATOM 1001 CB GLU A 63 -7.486 -14.863 5.581 1.00 23.33 C ATOM 1002 CG GLU A 63 -7.640 -13.993 6.827 1.00 23.44 C ATOM 1003 CD GLU A 63 -8.068 -14.790 8.046 1.00 33.20 C ATOM 1004 OE1 GLU A 63 -7.236 -15.560 8.573 1.00 71.12 O ATOM 1005 OE2 GLU A 63 -9.229 -14.648 8.486 1.00 54.43 O ATOM 0 H GLU A 63 -7.077 -15.982 3.421 1.00 33.02 H new ATOM 0 HA GLU A 63 -7.423 -13.332 4.054 1.00 42.12 H new ATOM 0 HB2 GLU A 63 -8.472 -15.200 5.260 1.00 23.33 H new ATOM 0 HB3 GLU A 63 -6.913 -15.754 5.839 1.00 23.33 H new ATOM 0 HG2 GLU A 63 -6.694 -13.495 7.037 1.00 23.44 H new ATOM 0 HG3 GLU A 63 -8.375 -13.212 6.632 1.00 23.44 H new ATOM 1012 N ALA A 64 -4.516 -14.413 5.253 1.00 41.02 N ATOM 1013 CA ALA A 64 -3.205 -13.971 5.742 1.00 73.02 C ATOM 1014 C ALA A 64 -2.547 -12.953 4.796 1.00 31.12 C ATOM 1015 O ALA A 64 -2.013 -11.937 5.239 1.00 41.12 O ATOM 1016 CB ALA A 64 -2.296 -15.177 5.941 1.00 11.40 C ATOM 0 H ALA A 64 -4.629 -15.426 5.218 1.00 41.02 H new ATOM 0 HA ALA A 64 -3.358 -13.468 6.697 1.00 73.02 H new ATOM 0 HB1 ALA A 64 -1.324 -14.844 6.304 1.00 11.40 H new ATOM 0 HB2 ALA A 64 -2.743 -15.853 6.669 1.00 11.40 H new ATOM 0 HB3 ALA A 64 -2.170 -15.698 4.992 1.00 11.40 H new ATOM 1022 N ASP A 65 -2.607 -13.220 3.491 1.00 43.11 N ATOM 1023 CA ASP A 65 -2.003 -12.336 2.489 1.00 4.44 C ATOM 1024 C ASP A 65 -2.736 -10.988 2.390 1.00 52.22 C ATOM 1025 O ASP A 65 -2.104 -9.929 2.407 1.00 13.11 O ATOM 1026 CB ASP A 65 -1.978 -13.030 1.127 1.00 43.41 C ATOM 1027 CG ASP A 65 -1.161 -14.306 1.165 1.00 52.31 C ATOM 1028 OD1 ASP A 65 -1.683 -15.333 1.643 1.00 22.32 O ATOM 1029 OD2 ASP A 65 0.016 -14.284 0.738 1.00 70.32 O ATOM 0 H ASP A 65 -3.068 -14.042 3.101 1.00 43.11 H new ATOM 0 HA ASP A 65 -0.982 -12.125 2.807 1.00 4.44 H new ATOM 0 HB2 ASP A 65 -2.997 -13.259 0.816 1.00 43.41 H new ATOM 0 HB3 ASP A 65 -1.562 -12.353 0.381 1.00 43.41 H new ATOM 1034 N ARG A 66 -4.070 -11.023 2.296 1.00 12.32 N ATOM 1035 CA ARG A 66 -4.856 -9.785 2.193 1.00 64.32 C ATOM 1036 C ARG A 66 -4.691 -8.915 3.454 1.00 23.11 C ATOM 1037 O ARG A 66 -4.555 -7.699 3.363 1.00 52.45 O ATOM 1038 CB ARG A 66 -6.349 -10.086 1.925 1.00 53.31 C ATOM 1039 CG ARG A 66 -7.063 -10.838 3.043 1.00 3.31 C ATOM 1040 CD ARG A 66 -8.539 -11.097 2.721 1.00 34.42 C ATOM 1041 NE ARG A 66 -8.719 -11.987 1.567 1.00 41.03 N ATOM 1042 CZ ARG A 66 -9.869 -12.499 1.206 1.00 54.30 C ATOM 1043 NH1 ARG A 66 -10.940 -12.274 1.893 1.00 52.45 N ATOM 1044 NH2 ARG A 66 -9.946 -13.256 0.165 1.00 31.40 N ATOM 0 H ARG A 66 -4.623 -11.880 2.289 1.00 12.32 H new ATOM 0 HA ARG A 66 -4.471 -9.223 1.342 1.00 64.32 H new ATOM 0 HB2 ARG A 66 -6.869 -9.144 1.751 1.00 53.31 H new ATOM 0 HB3 ARG A 66 -6.428 -10.668 1.007 1.00 53.31 H new ATOM 0 HG2 ARG A 66 -6.559 -11.789 3.217 1.00 3.31 H new ATOM 0 HG3 ARG A 66 -6.990 -10.265 3.967 1.00 3.31 H new ATOM 0 HD2 ARG A 66 -9.025 -11.536 3.592 1.00 34.42 H new ATOM 0 HD3 ARG A 66 -9.036 -10.147 2.523 1.00 34.42 H new ATOM 0 HE ARG A 66 -7.896 -12.221 1.011 1.00 41.03 H new ATOM 0 HH11 ARG A 66 -10.897 -11.691 2.729 1.00 52.45 H new ATOM 0 HH12 ARG A 66 -11.829 -12.680 1.600 1.00 52.45 H new ATOM 0 HH21 ARG A 66 -9.109 -13.458 -0.381 1.00 31.40 H new ATOM 0 HH22 ARG A 66 -10.844 -13.652 -0.112 1.00 31.40 H new ATOM 1058 N ILE A 67 -4.670 -9.550 4.628 1.00 70.33 N ATOM 1059 CA ILE A 67 -4.482 -8.830 5.896 1.00 73.50 C ATOM 1060 C ILE A 67 -3.048 -8.276 6.018 1.00 13.43 C ATOM 1061 O ILE A 67 -2.851 -7.127 6.418 1.00 44.24 O ATOM 1062 CB ILE A 67 -4.799 -9.744 7.110 1.00 21.31 C ATOM 1063 CG1 ILE A 67 -6.259 -10.237 7.045 1.00 31.01 C ATOM 1064 CG2 ILE A 67 -4.537 -9.012 8.429 1.00 41.33 C ATOM 1065 CD1 ILE A 67 -7.294 -9.124 7.059 1.00 23.12 C ATOM 0 H ILE A 67 -4.780 -10.559 4.730 1.00 70.33 H new ATOM 0 HA ILE A 67 -5.179 -7.992 5.897 1.00 73.50 H new ATOM 0 HB ILE A 67 -4.138 -10.609 7.067 1.00 21.31 H new ATOM 0 HG12 ILE A 67 -6.391 -10.829 6.139 1.00 31.01 H new ATOM 0 HG13 ILE A 67 -6.444 -10.901 7.889 1.00 31.01 H new ATOM 0 HG21 ILE A 67 -4.767 -9.674 9.264 1.00 41.33 H new ATOM 0 HG22 ILE A 67 -3.489 -8.715 8.479 1.00 41.33 H new ATOM 0 HG23 ILE A 67 -5.168 -8.125 8.485 1.00 41.33 H new ATOM 0 HD11 ILE A 67 -8.294 -9.556 7.011 1.00 23.12 H new ATOM 0 HD12 ILE A 67 -7.193 -8.545 7.977 1.00 23.12 H new ATOM 0 HD13 ILE A 67 -7.139 -8.472 6.200 1.00 23.12 H new ATOM 1077 N ASN A 68 -2.059 -9.096 5.655 1.00 61.20 N ATOM 1078 CA ASN A 68 -0.645 -8.684 5.673 1.00 5.12 C ATOM 1079 C ASN A 68 -0.431 -7.357 4.920 1.00 74.23 C ATOM 1080 O ASN A 68 0.049 -6.372 5.492 1.00 51.33 O ATOM 1081 CB ASN A 68 0.225 -9.783 5.042 1.00 3.02 C ATOM 1082 CG ASN A 68 1.694 -9.396 4.939 1.00 53.14 C ATOM 1083 OD1 ASN A 68 2.233 -8.705 5.798 1.00 31.22 O ATOM 1084 ND2 ASN A 68 2.348 -9.832 3.882 1.00 41.23 N ATOM 0 H ASN A 68 -2.208 -10.055 5.343 1.00 61.20 H new ATOM 0 HA ASN A 68 -0.354 -8.532 6.712 1.00 5.12 H new ATOM 0 HB2 ASN A 68 0.136 -10.694 5.634 1.00 3.02 H new ATOM 0 HB3 ASN A 68 -0.155 -10.012 4.046 1.00 3.02 H new ATOM 0 HD21 ASN A 68 3.333 -9.597 3.759 1.00 41.23 H new ATOM 0 HD22 ASN A 68 1.870 -10.405 3.187 1.00 41.23 H new ATOM 1091 N VAL A 69 -0.803 -7.335 3.640 1.00 42.32 N ATOM 1092 CA VAL A 69 -0.606 -6.149 2.801 1.00 53.41 C ATOM 1093 C VAL A 69 -1.457 -4.957 3.277 1.00 21.41 C ATOM 1094 O VAL A 69 -1.040 -3.806 3.157 1.00 22.32 O ATOM 1095 CB VAL A 69 -0.903 -6.449 1.309 1.00 72.04 C ATOM 1096 CG1 VAL A 69 0.054 -7.515 0.772 1.00 4.14 C ATOM 1097 CG2 VAL A 69 -2.354 -6.883 1.118 1.00 52.21 C ATOM 0 H VAL A 69 -1.241 -8.122 3.161 1.00 42.32 H new ATOM 0 HA VAL A 69 0.445 -5.876 2.898 1.00 53.41 H new ATOM 0 HB VAL A 69 -0.747 -5.531 0.742 1.00 72.04 H new ATOM 0 HG11 VAL A 69 -0.171 -7.711 -0.276 1.00 4.14 H new ATOM 0 HG12 VAL A 69 1.081 -7.161 0.863 1.00 4.14 H new ATOM 0 HG13 VAL A 69 -0.065 -8.434 1.347 1.00 4.14 H new ATOM 0 HG21 VAL A 69 -2.537 -7.087 0.063 1.00 52.21 H new ATOM 0 HG22 VAL A 69 -2.544 -7.784 1.701 1.00 52.21 H new ATOM 0 HG23 VAL A 69 -3.019 -6.087 1.454 1.00 52.21 H new ATOM 1107 N LEU A 70 -2.640 -5.229 3.832 1.00 51.34 N ATOM 1108 CA LEU A 70 -3.500 -4.163 4.366 1.00 42.23 C ATOM 1109 C LEU A 70 -2.875 -3.488 5.596 1.00 42.23 C ATOM 1110 O LEU A 70 -2.908 -2.263 5.721 1.00 62.52 O ATOM 1111 CB LEU A 70 -4.891 -4.709 4.720 1.00 51.05 C ATOM 1112 CG LEU A 70 -5.786 -5.051 3.520 1.00 11.21 C ATOM 1113 CD1 LEU A 70 -7.098 -5.674 3.991 1.00 62.12 C ATOM 1114 CD2 LEU A 70 -6.046 -3.811 2.664 1.00 24.02 C ATOM 0 H LEU A 70 -3.025 -6.169 3.925 1.00 51.34 H new ATOM 0 HA LEU A 70 -3.601 -3.411 3.583 1.00 42.23 H new ATOM 0 HB2 LEU A 70 -4.768 -5.606 5.328 1.00 51.05 H new ATOM 0 HB3 LEU A 70 -5.406 -3.973 5.338 1.00 51.05 H new ATOM 0 HG LEU A 70 -5.265 -5.781 2.901 1.00 11.21 H new ATOM 0 HD11 LEU A 70 -7.720 -5.910 3.127 1.00 62.12 H new ATOM 0 HD12 LEU A 70 -6.888 -6.588 4.547 1.00 62.12 H new ATOM 0 HD13 LEU A 70 -7.624 -4.970 4.635 1.00 62.12 H new ATOM 0 HD21 LEU A 70 -6.682 -4.078 1.820 1.00 24.02 H new ATOM 0 HD22 LEU A 70 -6.543 -3.051 3.267 1.00 24.02 H new ATOM 0 HD23 LEU A 70 -5.099 -3.419 2.294 1.00 24.02 H new ATOM 1126 N ASN A 71 -2.310 -4.286 6.501 1.00 64.21 N ATOM 1127 CA ASN A 71 -1.679 -3.745 7.712 1.00 41.12 C ATOM 1128 C ASN A 71 -0.475 -2.859 7.363 1.00 64.01 C ATOM 1129 O ASN A 71 -0.392 -1.707 7.798 1.00 52.00 O ATOM 1130 CB ASN A 71 -1.241 -4.874 8.656 1.00 34.42 C ATOM 1131 CG ASN A 71 -2.410 -5.713 9.146 1.00 1.15 C ATOM 1132 OD1 ASN A 71 -3.551 -5.265 9.169 1.00 0.01 O ATOM 1133 ND2 ASN A 71 -2.133 -6.928 9.573 1.00 4.31 N ATOM 0 H ASN A 71 -2.274 -5.302 6.423 1.00 64.21 H new ATOM 0 HA ASN A 71 -2.424 -3.133 8.220 1.00 41.12 H new ATOM 0 HB2 ASN A 71 -0.528 -5.517 8.141 1.00 34.42 H new ATOM 0 HB3 ASN A 71 -0.722 -4.445 9.513 1.00 34.42 H new ATOM 0 HD21 ASN A 71 -2.878 -7.523 9.935 1.00 4.31 H new ATOM 0 HD22 ASN A 71 -1.174 -7.273 9.541 1.00 4.31 H new ATOM 1140 N GLN A 72 0.450 -3.394 6.562 1.00 13.35 N ATOM 1141 CA GLN A 72 1.652 -2.647 6.170 1.00 71.13 C ATOM 1142 C GLN A 72 1.294 -1.415 5.316 1.00 44.44 C ATOM 1143 O GLN A 72 1.949 -0.377 5.405 1.00 10.32 O ATOM 1144 CB GLN A 72 2.642 -3.565 5.427 1.00 63.22 C ATOM 1145 CG GLN A 72 2.119 -4.116 4.103 1.00 30.24 C ATOM 1146 CD GLN A 72 3.040 -5.154 3.471 1.00 64.02 C ATOM 1147 OE1 GLN A 72 3.142 -5.255 2.253 1.00 4.12 O ATOM 1148 NE2 GLN A 72 3.695 -5.956 4.290 1.00 74.55 N ATOM 0 H GLN A 72 0.392 -4.335 6.173 1.00 13.35 H new ATOM 0 HA GLN A 72 2.134 -2.287 7.079 1.00 71.13 H new ATOM 0 HB2 GLN A 72 3.561 -3.010 5.238 1.00 63.22 H new ATOM 0 HB3 GLN A 72 2.902 -4.401 6.077 1.00 63.22 H new ATOM 0 HG2 GLN A 72 1.138 -4.563 4.266 1.00 30.24 H new ATOM 0 HG3 GLN A 72 1.981 -3.291 3.404 1.00 30.24 H new ATOM 0 HE21 GLN A 72 3.592 -5.850 5.299 1.00 74.55 H new ATOM 0 HE22 GLN A 72 4.305 -6.682 3.914 1.00 74.55 H new ATOM 1157 N ALA A 73 0.241 -1.530 4.497 1.00 0.23 N ATOM 1158 CA ALA A 73 -0.261 -0.389 3.717 1.00 2.13 C ATOM 1159 C ALA A 73 -0.819 0.714 4.629 1.00 42.35 C ATOM 1160 O ALA A 73 -0.534 1.897 4.436 1.00 73.41 O ATOM 1161 CB ALA A 73 -1.330 -0.841 2.728 1.00 11.02 C ATOM 0 H ALA A 73 -0.278 -2.397 4.357 1.00 0.23 H new ATOM 0 HA ALA A 73 0.582 0.024 3.163 1.00 2.13 H new ATOM 0 HB1 ALA A 73 -1.688 0.018 2.161 1.00 11.02 H new ATOM 0 HB2 ALA A 73 -0.905 -1.576 2.044 1.00 11.02 H new ATOM 0 HB3 ALA A 73 -2.162 -1.289 3.271 1.00 11.02 H new ATOM 1167 N THR A 74 -1.614 0.315 5.626 1.00 12.43 N ATOM 1168 CA THR A 74 -2.172 1.260 6.608 1.00 23.33 C ATOM 1169 C THR A 74 -1.064 2.057 7.303 1.00 41.11 C ATOM 1170 O THR A 74 -1.175 3.272 7.479 1.00 13.24 O ATOM 1171 CB THR A 74 -3.024 0.536 7.684 1.00 54.22 C ATOM 1172 OG1 THR A 74 -4.143 -0.121 7.073 1.00 24.34 O ATOM 1173 CG2 THR A 74 -3.533 1.510 8.744 1.00 73.24 C ATOM 0 H THR A 74 -1.888 -0.656 5.778 1.00 12.43 H new ATOM 0 HA THR A 74 -2.814 1.942 6.051 1.00 23.33 H new ATOM 0 HB THR A 74 -2.382 -0.200 8.168 1.00 54.22 H new ATOM 0 HG1 THR A 74 -3.827 -0.888 6.551 1.00 24.34 H new ATOM 0 HG21 THR A 74 -4.126 0.968 9.481 1.00 73.24 H new ATOM 0 HG22 THR A 74 -2.686 1.986 9.238 1.00 73.24 H new ATOM 0 HG23 THR A 74 -4.152 2.272 8.271 1.00 73.24 H new ATOM 1181 N GLU A 75 0.010 1.369 7.688 1.00 53.11 N ATOM 1182 CA GLU A 75 1.161 2.026 8.309 1.00 12.14 C ATOM 1183 C GLU A 75 1.735 3.123 7.399 1.00 43.02 C ATOM 1184 O GLU A 75 2.019 4.231 7.853 1.00 50.42 O ATOM 1185 CB GLU A 75 2.252 1.001 8.635 1.00 32.13 C ATOM 1186 CG GLU A 75 1.812 -0.085 9.607 1.00 13.42 C ATOM 1187 CD GLU A 75 2.971 -0.947 10.077 1.00 42.14 C ATOM 1188 OE1 GLU A 75 3.601 -0.591 11.094 1.00 41.03 O ATOM 1189 OE2 GLU A 75 3.254 -1.982 9.436 1.00 74.34 O ATOM 0 H GLU A 75 0.108 0.359 7.582 1.00 53.11 H new ATOM 0 HA GLU A 75 0.817 2.490 9.233 1.00 12.14 H new ATOM 0 HB2 GLU A 75 2.584 0.532 7.709 1.00 32.13 H new ATOM 0 HB3 GLU A 75 3.112 1.523 9.054 1.00 32.13 H new ATOM 0 HG2 GLU A 75 1.333 0.377 10.470 1.00 13.42 H new ATOM 0 HG3 GLU A 75 1.064 -0.717 9.127 1.00 13.42 H new ATOM 1196 N VAL A 76 1.904 2.806 6.116 1.00 12.23 N ATOM 1197 CA VAL A 76 2.402 3.781 5.134 1.00 14.32 C ATOM 1198 C VAL A 76 1.453 4.986 5.006 1.00 10.24 C ATOM 1199 O VAL A 76 1.894 6.137 4.962 1.00 52.33 O ATOM 1200 CB VAL A 76 2.601 3.131 3.741 1.00 44.43 C ATOM 1201 CG1 VAL A 76 3.125 4.154 2.734 1.00 73.32 C ATOM 1202 CG2 VAL A 76 3.542 1.931 3.834 1.00 52.24 C ATOM 0 H VAL A 76 1.705 1.884 5.728 1.00 12.23 H new ATOM 0 HA VAL A 76 3.367 4.130 5.501 1.00 14.32 H new ATOM 0 HB VAL A 76 1.632 2.777 3.390 1.00 44.43 H new ATOM 0 HG11 VAL A 76 3.257 3.675 1.764 1.00 73.32 H new ATOM 0 HG12 VAL A 76 2.410 4.972 2.641 1.00 73.32 H new ATOM 0 HG13 VAL A 76 4.082 4.546 3.078 1.00 73.32 H new ATOM 0 HG21 VAL A 76 3.668 1.490 2.845 1.00 52.24 H new ATOM 0 HG22 VAL A 76 4.511 2.257 4.212 1.00 52.24 H new ATOM 0 HG23 VAL A 76 3.119 1.189 4.511 1.00 52.24 H new ATOM 1212 N ILE A 77 0.150 4.712 4.949 1.00 12.51 N ATOM 1213 CA ILE A 77 -0.872 5.769 4.895 1.00 35.13 C ATOM 1214 C ILE A 77 -0.761 6.715 6.106 1.00 52.10 C ATOM 1215 O ILE A 77 -0.673 7.939 5.956 1.00 22.42 O ATOM 1216 CB ILE A 77 -2.296 5.155 4.846 1.00 0.03 C ATOM 1217 CG1 ILE A 77 -2.481 4.329 3.561 1.00 74.00 C ATOM 1218 CG2 ILE A 77 -3.363 6.241 4.950 1.00 42.13 C ATOM 1219 CD1 ILE A 77 -3.830 3.644 3.455 1.00 64.03 C ATOM 0 H ILE A 77 -0.229 3.765 4.939 1.00 12.51 H new ATOM 0 HA ILE A 77 -0.698 6.344 3.985 1.00 35.13 H new ATOM 0 HB ILE A 77 -2.411 4.490 5.702 1.00 0.03 H new ATOM 0 HG12 ILE A 77 -2.349 4.983 2.699 1.00 74.00 H new ATOM 0 HG13 ILE A 77 -1.697 3.574 3.511 1.00 74.00 H new ATOM 0 HG21 ILE A 77 -4.352 5.784 4.913 1.00 42.13 H new ATOM 0 HG22 ILE A 77 -3.246 6.777 5.892 1.00 42.13 H new ATOM 0 HG23 ILE A 77 -3.254 6.938 4.119 1.00 42.13 H new ATOM 0 HD11 ILE A 77 -3.881 3.083 2.522 1.00 64.03 H new ATOM 0 HD12 ILE A 77 -3.959 2.962 4.296 1.00 64.03 H new ATOM 0 HD13 ILE A 77 -4.621 4.394 3.471 1.00 64.03 H new ATOM 1231 N ASN A 78 -0.751 6.135 7.305 1.00 23.12 N ATOM 1232 CA ASN A 78 -0.615 6.912 8.543 1.00 71.32 C ATOM 1233 C ASN A 78 0.746 7.624 8.617 1.00 34.41 C ATOM 1234 O ASN A 78 0.855 8.719 9.170 1.00 74.21 O ATOM 1235 CB ASN A 78 -0.804 6.006 9.763 1.00 45.42 C ATOM 1236 CG ASN A 78 -2.187 5.382 9.806 1.00 52.31 C ATOM 1237 OD1 ASN A 78 -3.157 5.954 9.317 1.00 74.02 O ATOM 1238 ND2 ASN A 78 -2.293 4.210 10.390 1.00 3.52 N ATOM 0 H ASN A 78 -0.835 5.129 7.449 1.00 23.12 H new ATOM 0 HA ASN A 78 -1.392 7.676 8.541 1.00 71.32 H new ATOM 0 HB2 ASN A 78 -0.052 5.217 9.747 1.00 45.42 H new ATOM 0 HB3 ASN A 78 -0.640 6.585 10.672 1.00 45.42 H new ATOM 0 HD21 ASN A 78 -3.201 3.749 10.447 1.00 3.52 H new ATOM 0 HD22 ASN A 78 -1.467 3.761 10.787 1.00 3.52 H new ATOM 1245 N PHE A 79 1.774 6.994 8.052 1.00 1.45 N ATOM 1246 CA PHE A 79 3.120 7.576 7.994 1.00 2.34 C ATOM 1247 C PHE A 79 3.140 8.847 7.130 1.00 54.33 C ATOM 1248 O PHE A 79 3.698 9.868 7.529 1.00 60.31 O ATOM 1249 CB PHE A 79 4.104 6.538 7.439 1.00 12.21 C ATOM 1250 CG PHE A 79 5.540 7.004 7.355 1.00 1.33 C ATOM 1251 CD1 PHE A 79 6.307 7.151 8.503 1.00 3.40 C ATOM 1252 CD2 PHE A 79 6.129 7.279 6.125 1.00 65.10 C ATOM 1253 CE1 PHE A 79 7.625 7.564 8.427 1.00 41.44 C ATOM 1254 CE2 PHE A 79 7.447 7.689 6.046 1.00 71.21 C ATOM 1255 CZ PHE A 79 8.195 7.831 7.198 1.00 63.11 C ATOM 0 H PHE A 79 1.702 6.071 7.623 1.00 1.45 H new ATOM 0 HA PHE A 79 3.420 7.857 9.004 1.00 2.34 H new ATOM 0 HB2 PHE A 79 4.062 5.647 8.066 1.00 12.21 H new ATOM 0 HB3 PHE A 79 3.774 6.242 6.443 1.00 12.21 H new ATOM 0 HD1 PHE A 79 5.869 6.940 9.467 1.00 3.40 H new ATOM 0 HD2 PHE A 79 5.549 7.171 5.220 1.00 65.10 H new ATOM 0 HE1 PHE A 79 8.208 7.678 9.329 1.00 41.44 H new ATOM 0 HE2 PHE A 79 7.891 7.898 5.084 1.00 71.21 H new ATOM 0 HZ PHE A 79 9.225 8.151 7.138 1.00 63.11 H new ATOM 1265 N TRP A 80 2.528 8.771 5.945 1.00 14.02 N ATOM 1266 CA TRP A 80 2.415 9.931 5.052 1.00 54.10 C ATOM 1267 C TRP A 80 1.735 11.108 5.769 1.00 44.51 C ATOM 1268 O TRP A 80 2.272 12.215 5.820 1.00 2.22 O ATOM 1269 CB TRP A 80 1.619 9.554 3.792 1.00 73.14 C ATOM 1270 CG TRP A 80 1.477 10.678 2.802 1.00 11.42 C ATOM 1271 CD1 TRP A 80 2.387 11.055 1.855 1.00 43.32 C ATOM 1272 CD2 TRP A 80 0.355 11.569 2.661 1.00 13.53 C ATOM 1273 NE1 TRP A 80 1.906 12.121 1.136 1.00 42.13 N ATOM 1274 CE2 TRP A 80 0.663 12.455 1.610 1.00 3.21 C ATOM 1275 CE3 TRP A 80 -0.877 11.705 3.318 1.00 71.22 C ATOM 1276 CZ2 TRP A 80 -0.213 13.460 1.201 1.00 33.22 C ATOM 1277 CZ3 TRP A 80 -1.743 12.703 2.907 1.00 22.01 C ATOM 1278 CH2 TRP A 80 -1.407 13.569 1.859 1.00 10.14 C ATOM 0 H TRP A 80 2.103 7.919 5.580 1.00 14.02 H new ATOM 0 HA TRP A 80 3.420 10.238 4.762 1.00 54.10 H new ATOM 0 HB2 TRP A 80 2.109 8.712 3.303 1.00 73.14 H new ATOM 0 HB3 TRP A 80 0.626 9.217 4.089 1.00 73.14 H new ATOM 0 HD1 TRP A 80 3.345 10.583 1.695 1.00 43.32 H new ATOM 0 HE1 TRP A 80 2.394 12.589 0.373 1.00 42.13 H new ATOM 0 HE3 TRP A 80 -1.144 11.044 4.129 1.00 71.22 H new ATOM 0 HZ2 TRP A 80 0.043 14.129 0.393 1.00 33.22 H new ATOM 0 HZ3 TRP A 80 -2.695 12.816 3.404 1.00 22.01 H new ATOM 0 HH2 TRP A 80 -2.105 14.339 1.564 1.00 10.14 H new ATOM 1289 N GLN A 81 0.552 10.849 6.326 1.00 52.43 N ATOM 1290 CA GLN A 81 -0.191 11.856 7.097 1.00 4.01 C ATOM 1291 C GLN A 81 0.670 12.430 8.236 1.00 62.31 C ATOM 1292 O GLN A 81 0.747 13.646 8.428 1.00 61.25 O ATOM 1293 CB GLN A 81 -1.464 11.219 7.674 1.00 73.31 C ATOM 1294 CG GLN A 81 -2.328 12.171 8.499 1.00 63.45 C ATOM 1295 CD GLN A 81 -3.485 11.463 9.185 1.00 75.30 C ATOM 1296 OE1 GLN A 81 -3.394 10.291 9.535 1.00 2.34 O ATOM 1297 NE2 GLN A 81 -4.583 12.164 9.378 1.00 72.05 N ATOM 0 H GLN A 81 0.082 9.946 6.259 1.00 52.43 H new ATOM 0 HA GLN A 81 -0.457 12.676 6.430 1.00 4.01 H new ATOM 0 HB2 GLN A 81 -2.062 10.824 6.853 1.00 73.31 H new ATOM 0 HB3 GLN A 81 -1.181 10.372 8.298 1.00 73.31 H new ATOM 0 HG2 GLN A 81 -1.708 12.659 9.251 1.00 63.45 H new ATOM 0 HG3 GLN A 81 -2.719 12.955 7.851 1.00 63.45 H new ATOM 0 HE21 GLN A 81 -4.627 13.137 9.075 1.00 72.05 H new ATOM 0 HE22 GLN A 81 -5.390 11.734 9.830 1.00 72.05 H new ATOM 1306 N ASP A 82 1.331 11.532 8.964 1.00 42.23 N ATOM 1307 CA ASP A 82 2.178 11.892 10.106 1.00 71.55 C ATOM 1308 C ASP A 82 3.251 12.927 9.721 1.00 63.44 C ATOM 1309 O ASP A 82 3.485 13.904 10.442 1.00 63.55 O ATOM 1310 CB ASP A 82 2.831 10.619 10.656 1.00 32.34 C ATOM 1311 CG ASP A 82 3.692 10.875 11.874 1.00 64.42 C ATOM 1312 OD1 ASP A 82 3.130 11.116 12.961 1.00 62.30 O ATOM 1313 OD2 ASP A 82 4.936 10.834 11.753 1.00 73.33 O ATOM 0 H ASP A 82 1.296 10.529 8.780 1.00 42.23 H new ATOM 0 HA ASP A 82 1.555 12.354 10.872 1.00 71.55 H new ATOM 0 HB2 ASP A 82 2.053 9.900 10.912 1.00 32.34 H new ATOM 0 HB3 ASP A 82 3.441 10.164 9.876 1.00 32.34 H new ATOM 1318 N LEU A 83 3.894 12.711 8.578 1.00 2.30 N ATOM 1319 CA LEU A 83 4.919 13.631 8.081 1.00 5.51 C ATOM 1320 C LEU A 83 4.323 15.005 7.739 1.00 32.43 C ATOM 1321 O LEU A 83 4.963 16.040 7.944 1.00 44.24 O ATOM 1322 CB LEU A 83 5.602 13.046 6.837 1.00 72.03 C ATOM 1323 CG LEU A 83 6.236 11.659 7.023 1.00 21.11 C ATOM 1324 CD1 LEU A 83 6.875 11.182 5.721 1.00 24.21 C ATOM 1325 CD2 LEU A 83 7.258 11.676 8.161 1.00 14.34 C ATOM 0 H LEU A 83 3.725 11.906 7.975 1.00 2.30 H new ATOM 0 HA LEU A 83 5.655 13.763 8.875 1.00 5.51 H new ATOM 0 HB2 LEU A 83 4.867 12.986 6.034 1.00 72.03 H new ATOM 0 HB3 LEU A 83 6.376 13.739 6.509 1.00 72.03 H new ATOM 0 HG LEU A 83 5.448 10.956 7.292 1.00 21.11 H new ATOM 0 HD11 LEU A 83 7.319 10.198 5.873 1.00 24.21 H new ATOM 0 HD12 LEU A 83 6.114 11.121 4.943 1.00 24.21 H new ATOM 0 HD13 LEU A 83 7.649 11.886 5.416 1.00 24.21 H new ATOM 0 HD21 LEU A 83 7.693 10.683 8.274 1.00 14.34 H new ATOM 0 HD22 LEU A 83 8.046 12.394 7.932 1.00 14.34 H new ATOM 0 HD23 LEU A 83 6.764 11.963 9.089 1.00 14.34 H new ATOM 1337 N LYS A 84 3.092 15.008 7.229 1.00 33.11 N ATOM 1338 CA LYS A 84 2.440 16.248 6.793 1.00 5.14 C ATOM 1339 C LYS A 84 2.130 17.181 7.976 1.00 30.03 C ATOM 1340 O LYS A 84 2.416 18.379 7.916 1.00 61.15 O ATOM 1341 CB LYS A 84 1.151 15.938 6.014 1.00 44.13 C ATOM 1342 CG LYS A 84 1.354 15.008 4.815 1.00 14.20 C ATOM 1343 CD LYS A 84 2.365 15.552 3.798 1.00 65.31 C ATOM 1344 CE LYS A 84 1.823 16.730 2.986 1.00 55.24 C ATOM 1345 NZ LYS A 84 1.721 17.983 3.782 1.00 11.20 N ATOM 0 H LYS A 84 2.525 14.169 7.107 1.00 33.11 H new ATOM 0 HA LYS A 84 3.139 16.765 6.136 1.00 5.14 H new ATOM 0 HB2 LYS A 84 0.429 15.485 6.693 1.00 44.13 H new ATOM 0 HB3 LYS A 84 0.716 16.874 5.664 1.00 44.13 H new ATOM 0 HG2 LYS A 84 1.693 14.035 5.170 1.00 14.20 H new ATOM 0 HG3 LYS A 84 0.397 14.850 4.318 1.00 14.20 H new ATOM 0 HD2 LYS A 84 3.267 15.865 4.323 1.00 65.31 H new ATOM 0 HD3 LYS A 84 2.654 14.751 3.117 1.00 65.31 H new ATOM 0 HE2 LYS A 84 2.472 16.903 2.128 1.00 55.24 H new ATOM 0 HE3 LYS A 84 0.839 16.473 2.595 1.00 55.24 H new ATOM 0 HZ1 LYS A 84 2.034 18.788 3.203 1.00 11.20 H new ATOM 0 HZ2 LYS A 84 0.734 18.129 4.074 1.00 11.20 H new ATOM 0 HZ3 LYS A 84 2.324 17.908 4.626 1.00 11.20 H new ATOM 1359 N ASN A 85 1.550 16.636 9.049 1.00 5.10 N ATOM 1360 CA ASN A 85 1.208 17.452 10.223 1.00 22.21 C ATOM 1361 C ASN A 85 2.459 17.834 11.033 1.00 43.00 C ATOM 1362 O ASN A 85 2.451 18.823 11.769 1.00 24.53 O ATOM 1363 CB ASN A 85 0.193 16.731 11.127 1.00 22.40 C ATOM 1364 CG ASN A 85 0.712 15.415 11.676 1.00 15.01 C ATOM 1365 OD1 ASN A 85 0.507 14.362 11.093 1.00 44.03 O ATOM 1366 ND2 ASN A 85 1.388 15.465 12.806 1.00 74.11 N ATOM 0 H ASN A 85 1.309 15.648 9.132 1.00 5.10 H new ATOM 0 HA ASN A 85 0.751 18.369 9.850 1.00 22.21 H new ATOM 0 HB2 ASN A 85 -0.073 17.385 11.958 1.00 22.40 H new ATOM 0 HB3 ASN A 85 -0.721 16.547 10.562 1.00 22.40 H new ATOM 0 HD21 ASN A 85 1.757 14.608 13.218 1.00 74.11 H new ATOM 0 HD22 ASN A 85 1.542 16.361 13.269 1.00 74.11 H new ATOM 1373 N GLN A 86 3.528 17.041 10.908 1.00 72.32 N ATOM 1374 CA GLN A 86 4.800 17.346 11.584 1.00 2.01 C ATOM 1375 C GLN A 86 5.781 18.103 10.669 1.00 13.52 C ATOM 1376 O GLN A 86 6.923 18.356 11.053 1.00 33.40 O ATOM 1377 CB GLN A 86 5.460 16.064 12.102 1.00 33.22 C ATOM 1378 CG GLN A 86 4.683 15.367 13.212 1.00 41.24 C ATOM 1379 CD GLN A 86 5.469 14.225 13.831 1.00 41.31 C ATOM 1380 OE1 GLN A 86 5.337 13.042 13.275 1.00 35.25 O flip ATOM 1381 NE2 GLN A 86 6.204 14.410 14.793 1.00 1.33 N flip ATOM 0 H GLN A 86 3.542 16.188 10.349 1.00 72.32 H new ATOM 0 HA GLN A 86 4.560 17.996 12.425 1.00 2.01 H new ATOM 0 HB2 GLN A 86 5.584 15.371 11.270 1.00 33.22 H new ATOM 0 HB3 GLN A 86 6.458 16.305 12.468 1.00 33.22 H new ATOM 0 HG2 GLN A 86 4.428 16.092 13.985 1.00 41.24 H new ATOM 0 HG3 GLN A 86 3.744 14.985 12.811 1.00 41.24 H new ATOM 0 HE21 GLN A 86 6.284 15.341 15.202 1.00 1.33 H new ATOM 0 HE22 GLN A 86 6.736 13.633 15.185 1.00 1.33 H new ATOM 1390 N ASN A 87 5.333 18.446 9.461 1.00 21.31 N ATOM 1391 CA ASN A 87 6.128 19.263 8.522 1.00 3.11 C ATOM 1392 C ASN A 87 7.471 18.599 8.148 1.00 50.01 C ATOM 1393 O ASN A 87 8.406 19.275 7.710 1.00 72.04 O ATOM 1394 CB ASN A 87 6.397 20.651 9.126 1.00 33.33 C ATOM 1395 CG ASN A 87 5.127 21.357 9.564 1.00 1.04 C ATOM 1396 OD1 ASN A 87 4.690 21.222 10.702 1.00 55.32 O ATOM 1397 ND2 ASN A 87 4.529 22.121 8.672 1.00 33.11 N ATOM 0 H ASN A 87 4.419 18.172 9.101 1.00 21.31 H new ATOM 0 HA ASN A 87 5.540 19.356 7.609 1.00 3.11 H new ATOM 0 HB2 ASN A 87 7.063 20.547 9.982 1.00 33.33 H new ATOM 0 HB3 ASN A 87 6.916 21.268 8.392 1.00 33.33 H new ATOM 0 HD21 ASN A 87 3.676 22.622 8.920 1.00 33.11 H new ATOM 0 HD22 ASN A 87 4.919 22.211 7.734 1.00 33.11 H new ATOM 1404 N LYS A 88 7.561 17.280 8.295 1.00 64.43 N ATOM 1405 CA LYS A 88 8.821 16.564 8.047 1.00 32.31 C ATOM 1406 C LYS A 88 9.116 16.411 6.546 1.00 32.05 C ATOM 1407 O LYS A 88 8.504 15.588 5.865 1.00 43.10 O ATOM 1408 CB LYS A 88 8.801 15.175 8.707 1.00 62.03 C ATOM 1409 CG LYS A 88 8.604 15.198 10.220 1.00 23.33 C ATOM 1410 CD LYS A 88 8.804 13.810 10.833 1.00 22.24 C ATOM 1411 CE LYS A 88 8.554 13.808 12.336 1.00 51.01 C ATOM 1412 NZ LYS A 88 9.444 14.752 13.060 1.00 50.32 N ATOM 0 H LYS A 88 6.785 16.683 8.582 1.00 64.43 H new ATOM 0 HA LYS A 88 9.614 17.167 8.490 1.00 32.31 H new ATOM 0 HB2 LYS A 88 8.002 14.584 8.258 1.00 62.03 H new ATOM 0 HB3 LYS A 88 9.739 14.666 8.483 1.00 62.03 H new ATOM 0 HG2 LYS A 88 9.307 15.900 10.669 1.00 23.33 H new ATOM 0 HG3 LYS A 88 7.602 15.558 10.452 1.00 23.33 H new ATOM 0 HD2 LYS A 88 8.130 13.101 10.352 1.00 22.24 H new ATOM 0 HD3 LYS A 88 9.820 13.469 10.634 1.00 22.24 H new ATOM 0 HE2 LYS A 88 7.514 14.073 12.529 1.00 51.01 H new ATOM 0 HE3 LYS A 88 8.704 12.801 12.725 1.00 51.01 H new ATOM 0 HZ1 LYS A 88 9.357 14.594 14.084 1.00 50.32 H new ATOM 0 HZ2 LYS A 88 10.429 14.594 12.767 1.00 50.32 H new ATOM 0 HZ3 LYS A 88 9.169 15.730 12.836 1.00 50.32 H new ATOM 1426 N GLN A 89 10.051 17.210 6.035 1.00 14.15 N ATOM 1427 CA GLN A 89 10.521 17.062 4.654 1.00 63.51 C ATOM 1428 C GLN A 89 11.668 16.041 4.598 1.00 12.44 C ATOM 1429 O GLN A 89 12.846 16.408 4.547 1.00 22.24 O ATOM 1430 CB GLN A 89 10.988 18.415 4.093 1.00 23.10 C ATOM 1431 CG GLN A 89 9.961 19.534 4.228 1.00 12.42 C ATOM 1432 CD GLN A 89 8.681 19.281 3.446 1.00 55.25 C ATOM 1433 OE1 GLN A 89 8.684 18.633 2.407 1.00 13.11 O ATOM 1434 NE2 GLN A 89 7.576 19.801 3.935 1.00 54.04 N ATOM 0 H GLN A 89 10.499 17.966 6.553 1.00 14.15 H new ATOM 0 HA GLN A 89 9.694 16.703 4.041 1.00 63.51 H new ATOM 0 HB2 GLN A 89 11.903 18.712 4.606 1.00 23.10 H new ATOM 0 HB3 GLN A 89 11.239 18.292 3.039 1.00 23.10 H new ATOM 0 HG2 GLN A 89 9.714 19.664 5.282 1.00 12.42 H new ATOM 0 HG3 GLN A 89 10.407 20.468 3.887 1.00 12.42 H new ATOM 0 HE21 GLN A 89 7.605 20.336 4.803 1.00 54.04 H new ATOM 0 HE22 GLN A 89 6.690 19.669 3.446 1.00 54.04 H new ATOM 1443 N ILE A 90 11.326 14.755 4.650 1.00 64.23 N ATOM 1444 CA ILE A 90 12.343 13.699 4.687 1.00 54.42 C ATOM 1445 C ILE A 90 12.649 13.130 3.293 1.00 61.41 C ATOM 1446 O ILE A 90 11.803 13.134 2.396 1.00 52.23 O ATOM 1447 CB ILE A 90 11.943 12.533 5.630 1.00 71.12 C ATOM 1448 CG1 ILE A 90 10.718 11.778 5.087 1.00 65.31 C ATOM 1449 CG2 ILE A 90 11.675 13.054 7.045 1.00 53.14 C ATOM 1450 CD1 ILE A 90 10.399 10.508 5.848 1.00 31.51 C ATOM 0 H ILE A 90 10.363 14.418 4.667 1.00 64.23 H new ATOM 0 HA ILE A 90 13.241 14.179 5.075 1.00 54.42 H new ATOM 0 HB ILE A 90 12.776 11.832 5.673 1.00 71.12 H new ATOM 0 HG12 ILE A 90 9.851 12.438 5.120 1.00 65.31 H new ATOM 0 HG13 ILE A 90 10.890 11.530 4.040 1.00 65.31 H new ATOM 0 HG21 ILE A 90 11.396 12.222 7.692 1.00 53.14 H new ATOM 0 HG22 ILE A 90 12.575 13.530 7.434 1.00 53.14 H new ATOM 0 HG23 ILE A 90 10.863 13.781 7.017 1.00 53.14 H new ATOM 0 HD11 ILE A 90 9.524 10.030 5.408 1.00 31.51 H new ATOM 0 HD12 ILE A 90 11.249 9.828 5.794 1.00 31.51 H new ATOM 0 HD13 ILE A 90 10.194 10.750 6.891 1.00 31.51 H new ATOM 1462 N SER A 91 13.871 12.634 3.137 1.00 31.30 N ATOM 1463 CA SER A 91 14.326 12.010 1.892 1.00 33.30 C ATOM 1464 C SER A 91 13.586 10.683 1.660 1.00 45.53 C ATOM 1465 O SER A 91 13.167 10.028 2.618 1.00 14.53 O ATOM 1466 CB SER A 91 15.839 11.753 1.968 1.00 30.31 C ATOM 1467 OG SER A 91 16.525 12.860 2.540 1.00 10.14 O ATOM 0 H SER A 91 14.579 12.651 3.871 1.00 31.30 H new ATOM 0 HA SER A 91 14.112 12.682 1.061 1.00 33.30 H new ATOM 0 HB2 SER A 91 16.028 10.859 2.562 1.00 30.31 H new ATOM 0 HB3 SER A 91 16.227 11.559 0.968 1.00 30.31 H new ATOM 0 HG SER A 91 16.456 12.818 3.517 1.00 10.14 H new ATOM 1473 N MET A 92 13.436 10.271 0.403 1.00 61.21 N ATOM 1474 CA MET A 92 12.689 9.040 0.092 1.00 13.40 C ATOM 1475 C MET A 92 13.327 7.811 0.767 1.00 64.43 C ATOM 1476 O MET A 92 12.630 6.886 1.189 1.00 44.42 O ATOM 1477 CB MET A 92 12.594 8.818 -1.424 1.00 73.21 C ATOM 1478 CG MET A 92 11.505 7.823 -1.821 1.00 1.01 C ATOM 1479 SD MET A 92 11.518 7.415 -3.578 1.00 65.32 S ATOM 1480 CE MET A 92 12.996 6.406 -3.674 1.00 52.04 C ATOM 0 H MET A 92 13.813 10.758 -0.410 1.00 61.21 H new ATOM 0 HA MET A 92 11.681 9.165 0.489 1.00 13.40 H new ATOM 0 HB2 MET A 92 12.400 9.773 -1.913 1.00 73.21 H new ATOM 0 HB3 MET A 92 13.555 8.461 -1.793 1.00 73.21 H new ATOM 0 HG2 MET A 92 11.630 6.908 -1.242 1.00 1.01 H new ATOM 0 HG3 MET A 92 10.531 8.237 -1.558 1.00 1.01 H new ATOM 0 HE1 MET A 92 12.995 5.847 -4.610 1.00 52.04 H new ATOM 0 HE2 MET A 92 13.877 7.047 -3.635 1.00 52.04 H new ATOM 0 HE3 MET A 92 13.016 5.710 -2.836 1.00 52.04 H new ATOM 1490 N ALA A 93 14.655 7.818 0.876 1.00 4.21 N ATOM 1491 CA ALA A 93 15.386 6.745 1.559 1.00 50.23 C ATOM 1492 C ALA A 93 15.000 6.662 3.044 1.00 1.31 C ATOM 1493 O ALA A 93 14.939 5.576 3.620 1.00 4.15 O ATOM 1494 CB ALA A 93 16.889 6.949 1.405 1.00 62.11 C ATOM 0 H ALA A 93 15.250 8.556 0.500 1.00 4.21 H new ATOM 0 HA ALA A 93 15.110 5.799 1.093 1.00 50.23 H new ATOM 0 HB1 ALA A 93 17.419 6.146 1.917 1.00 62.11 H new ATOM 0 HB2 ALA A 93 17.151 6.941 0.347 1.00 62.11 H new ATOM 0 HB3 ALA A 93 17.173 7.907 1.841 1.00 62.11 H new ATOM 1500 N GLU A 94 14.719 7.815 3.654 1.00 22.20 N ATOM 1501 CA GLU A 94 14.283 7.867 5.055 1.00 3.11 C ATOM 1502 C GLU A 94 12.943 7.133 5.239 1.00 22.14 C ATOM 1503 O GLU A 94 12.677 6.553 6.292 1.00 22.44 O ATOM 1504 CB GLU A 94 14.175 9.323 5.538 1.00 2.41 C ATOM 1505 CG GLU A 94 15.499 10.083 5.474 1.00 71.12 C ATOM 1506 CD GLU A 94 15.438 11.463 6.119 1.00 10.33 C ATOM 1507 OE1 GLU A 94 15.315 11.537 7.359 1.00 53.24 O ATOM 1508 OE2 GLU A 94 15.541 12.479 5.396 1.00 25.04 O ATOM 0 H GLU A 94 14.785 8.727 3.202 1.00 22.20 H new ATOM 0 HA GLU A 94 15.034 7.361 5.662 1.00 3.11 H new ATOM 0 HB2 GLU A 94 13.435 9.845 4.932 1.00 2.41 H new ATOM 0 HB3 GLU A 94 13.809 9.331 6.565 1.00 2.41 H new ATOM 0 HG2 GLU A 94 16.272 9.494 5.967 1.00 71.12 H new ATOM 0 HG3 GLU A 94 15.797 10.191 4.431 1.00 71.12 H new ATOM 1515 N ALA A 95 12.101 7.164 4.199 1.00 62.50 N ATOM 1516 CA ALA A 95 10.858 6.384 4.181 1.00 41.41 C ATOM 1517 C ALA A 95 11.161 4.876 4.121 1.00 42.01 C ATOM 1518 O ALA A 95 10.543 4.079 4.829 1.00 11.43 O ATOM 1519 CB ALA A 95 9.981 6.803 3.005 1.00 12.22 C ATOM 0 H ALA A 95 12.258 7.721 3.359 1.00 62.50 H new ATOM 0 HA ALA A 95 10.315 6.585 5.104 1.00 41.41 H new ATOM 0 HB1 ALA A 95 9.064 6.214 3.007 1.00 12.22 H new ATOM 0 HB2 ALA A 95 9.734 7.861 3.094 1.00 12.22 H new ATOM 0 HB3 ALA A 95 10.518 6.634 2.072 1.00 12.22 H new ATOM 1525 N GLN A 96 12.125 4.496 3.277 1.00 12.14 N ATOM 1526 CA GLN A 96 12.597 3.103 3.206 1.00 10.43 C ATOM 1527 C GLN A 96 13.159 2.631 4.557 1.00 54.43 C ATOM 1528 O GLN A 96 12.965 1.480 4.950 1.00 63.32 O ATOM 1529 CB GLN A 96 13.667 2.953 2.111 1.00 15.35 C ATOM 1530 CG GLN A 96 13.098 2.722 0.713 1.00 33.22 C ATOM 1531 CD GLN A 96 12.475 1.343 0.559 1.00 23.05 C ATOM 1532 OE1 GLN A 96 13.137 0.381 0.175 1.00 45.00 O ATOM 1533 NE2 GLN A 96 11.200 1.229 0.867 1.00 5.04 N ATOM 0 H GLN A 96 12.596 5.131 2.632 1.00 12.14 H new ATOM 0 HA GLN A 96 11.740 2.477 2.957 1.00 10.43 H new ATOM 0 HB2 GLN A 96 14.285 3.850 2.096 1.00 15.35 H new ATOM 0 HB3 GLN A 96 14.321 2.120 2.368 1.00 15.35 H new ATOM 0 HG2 GLN A 96 12.347 3.483 0.500 1.00 33.22 H new ATOM 0 HG3 GLN A 96 13.892 2.843 -0.024 1.00 33.22 H new ATOM 0 HE21 GLN A 96 10.677 2.046 1.183 1.00 5.04 H new ATOM 0 HE22 GLN A 96 10.736 0.324 0.790 1.00 5.04 H new ATOM 1542 N GLY A 97 13.852 3.528 5.260 1.00 61.32 N ATOM 1543 CA GLY A 97 14.361 3.216 6.594 1.00 1.23 C ATOM 1544 C GLY A 97 13.263 2.779 7.565 1.00 21.53 C ATOM 1545 O GLY A 97 13.523 2.084 8.548 1.00 35.52 O ATOM 0 H GLY A 97 14.072 4.468 4.931 1.00 61.32 H new ATOM 0 HA2 GLY A 97 15.106 2.424 6.517 1.00 1.23 H new ATOM 0 HA3 GLY A 97 14.868 4.092 6.998 1.00 1.23 H new ATOM 1549 N LYS A 98 12.027 3.197 7.288 1.00 63.31 N ATOM 1550 CA LYS A 98 10.867 2.784 8.087 1.00 63.44 C ATOM 1551 C LYS A 98 10.124 1.602 7.433 1.00 2.40 C ATOM 1552 O LYS A 98 9.664 0.693 8.128 1.00 42.21 O ATOM 1553 CB LYS A 98 9.913 3.975 8.293 1.00 31.32 C ATOM 1554 CG LYS A 98 8.612 3.628 9.019 1.00 30.00 C ATOM 1555 CD LYS A 98 8.846 2.977 10.385 1.00 23.05 C ATOM 1556 CE LYS A 98 9.548 3.910 11.367 1.00 32.33 C ATOM 1557 NZ LYS A 98 9.734 3.264 12.693 1.00 60.34 N ATOM 0 H LYS A 98 11.801 3.823 6.515 1.00 63.31 H new ATOM 0 HA LYS A 98 11.229 2.449 9.059 1.00 63.44 H new ATOM 0 HB2 LYS A 98 10.434 4.748 8.858 1.00 31.32 H new ATOM 0 HB3 LYS A 98 9.669 4.401 7.320 1.00 31.32 H new ATOM 0 HG2 LYS A 98 8.023 4.535 9.151 1.00 30.00 H new ATOM 0 HG3 LYS A 98 8.024 2.953 8.397 1.00 30.00 H new ATOM 0 HD2 LYS A 98 7.889 2.667 10.805 1.00 23.05 H new ATOM 0 HD3 LYS A 98 9.444 2.075 10.256 1.00 23.05 H new ATOM 0 HE2 LYS A 98 10.518 4.202 10.964 1.00 32.33 H new ATOM 0 HE3 LYS A 98 8.964 4.823 11.484 1.00 32.33 H new ATOM 0 HZ1 LYS A 98 10.214 3.925 13.337 1.00 60.34 H new ATOM 0 HZ2 LYS A 98 8.806 3.008 13.088 1.00 60.34 H new ATOM 0 HZ3 LYS A 98 10.312 2.406 12.583 1.00 60.34 H new ATOM 1571 N PHE A 99 10.024 1.603 6.102 1.00 53.20 N ATOM 1572 CA PHE A 99 9.304 0.540 5.379 1.00 33.24 C ATOM 1573 C PHE A 99 10.167 -0.120 4.283 1.00 71.10 C ATOM 1574 O PHE A 99 9.948 0.108 3.091 1.00 73.12 O ATOM 1575 CB PHE A 99 8.020 1.093 4.742 1.00 74.43 C ATOM 1576 CG PHE A 99 7.060 1.698 5.731 1.00 34.45 C ATOM 1577 CD1 PHE A 99 6.407 0.902 6.657 1.00 44.12 C ATOM 1578 CD2 PHE A 99 6.816 3.062 5.738 1.00 64.03 C ATOM 1579 CE1 PHE A 99 5.528 1.452 7.568 1.00 51.11 C ATOM 1580 CE2 PHE A 99 5.939 3.617 6.645 1.00 62.23 C ATOM 1581 CZ PHE A 99 5.294 2.812 7.563 1.00 63.34 C ATOM 0 H PHE A 99 10.428 2.321 5.501 1.00 53.20 H new ATOM 0 HA PHE A 99 9.057 -0.222 6.118 1.00 33.24 H new ATOM 0 HB2 PHE A 99 8.289 1.848 4.003 1.00 74.43 H new ATOM 0 HB3 PHE A 99 7.516 0.288 4.207 1.00 74.43 H new ATOM 0 HD1 PHE A 99 6.588 -0.163 6.667 1.00 44.12 H new ATOM 0 HD2 PHE A 99 7.319 3.698 5.024 1.00 64.03 H new ATOM 0 HE1 PHE A 99 5.024 0.819 8.284 1.00 51.11 H new ATOM 0 HE2 PHE A 99 5.756 4.681 6.638 1.00 62.23 H new ATOM 0 HZ PHE A 99 4.608 3.246 8.275 1.00 63.34 H new ATOM 1591 N PRO A 100 11.152 -0.959 4.661 1.00 0.12 N ATOM 1592 CA PRO A 100 11.981 -1.691 3.686 1.00 50.44 C ATOM 1593 C PRO A 100 11.202 -2.833 3.009 1.00 2.10 C ATOM 1594 O PRO A 100 11.601 -3.349 1.959 1.00 11.32 O ATOM 1595 CB PRO A 100 13.126 -2.241 4.547 1.00 32.45 C ATOM 1596 CG PRO A 100 12.532 -2.386 5.908 1.00 53.40 C ATOM 1597 CD PRO A 100 11.545 -1.257 6.054 1.00 55.11 C ATOM 0 HA PRO A 100 12.319 -1.058 2.866 1.00 50.44 H new ATOM 0 HB2 PRO A 100 13.485 -3.197 4.166 1.00 32.45 H new ATOM 0 HB3 PRO A 100 13.978 -1.561 4.556 1.00 32.45 H new ATOM 0 HG2 PRO A 100 12.039 -3.352 6.017 1.00 53.40 H new ATOM 0 HG3 PRO A 100 13.302 -2.333 6.677 1.00 53.40 H new ATOM 0 HD2 PRO A 100 10.687 -1.550 6.659 1.00 55.11 H new ATOM 0 HD3 PRO A 100 11.995 -0.390 6.538 1.00 55.11 H new ATOM 1605 N GLU A 101 10.079 -3.213 3.620 1.00 13.24 N ATOM 1606 CA GLU A 101 9.213 -4.274 3.095 1.00 31.12 C ATOM 1607 C GLU A 101 8.201 -3.712 2.082 1.00 41.24 C ATOM 1608 O GLU A 101 7.421 -4.458 1.486 1.00 13.45 O ATOM 1609 CB GLU A 101 8.475 -4.956 4.258 1.00 12.22 C ATOM 1610 CG GLU A 101 9.410 -5.498 5.339 1.00 2.31 C ATOM 1611 CD GLU A 101 8.673 -5.957 6.589 1.00 61.04 C ATOM 1612 OE1 GLU A 101 8.465 -5.128 7.504 1.00 63.44 O ATOM 1613 OE2 GLU A 101 8.294 -7.144 6.668 1.00 23.55 O ATOM 0 H GLU A 101 9.744 -2.797 4.489 1.00 13.24 H new ATOM 0 HA GLU A 101 9.834 -5.005 2.578 1.00 31.12 H new ATOM 0 HB2 GLU A 101 7.786 -4.242 4.709 1.00 12.22 H new ATOM 0 HB3 GLU A 101 7.873 -5.775 3.865 1.00 12.22 H new ATOM 0 HG2 GLU A 101 9.980 -6.334 4.933 1.00 2.31 H new ATOM 0 HG3 GLU A 101 10.128 -4.725 5.611 1.00 2.31 H new ATOM 1620 N VAL A 102 8.212 -2.393 1.896 1.00 3.21 N ATOM 1621 CA VAL A 102 7.302 -1.730 0.954 1.00 4.33 C ATOM 1622 C VAL A 102 8.081 -1.039 -0.179 1.00 25.13 C ATOM 1623 O VAL A 102 9.055 -0.327 0.069 1.00 32.15 O ATOM 1624 CB VAL A 102 6.415 -0.686 1.678 1.00 54.23 C ATOM 1625 CG1 VAL A 102 5.464 0.001 0.701 1.00 53.44 C ATOM 1626 CG2 VAL A 102 5.642 -1.338 2.825 1.00 14.13 C ATOM 0 H VAL A 102 8.842 -1.758 2.386 1.00 3.21 H new ATOM 0 HA VAL A 102 6.664 -2.503 0.525 1.00 4.33 H new ATOM 0 HB VAL A 102 7.069 0.078 2.098 1.00 54.23 H new ATOM 0 HG11 VAL A 102 4.854 0.728 1.237 1.00 53.44 H new ATOM 0 HG12 VAL A 102 6.041 0.510 -0.071 1.00 53.44 H new ATOM 0 HG13 VAL A 102 4.817 -0.744 0.238 1.00 53.44 H new ATOM 0 HG21 VAL A 102 5.025 -0.588 3.321 1.00 14.13 H new ATOM 0 HG22 VAL A 102 5.005 -2.129 2.431 1.00 14.13 H new ATOM 0 HG23 VAL A 102 6.345 -1.762 3.543 1.00 14.13 H new ATOM 1636 N VAL A 103 7.645 -1.248 -1.421 1.00 52.20 N ATOM 1637 CA VAL A 103 8.326 -0.670 -2.591 1.00 1.34 C ATOM 1638 C VAL A 103 7.725 0.694 -2.981 1.00 55.10 C ATOM 1639 O VAL A 103 6.612 0.767 -3.495 1.00 12.51 O ATOM 1640 CB VAL A 103 8.249 -1.627 -3.811 1.00 2.44 C ATOM 1641 CG1 VAL A 103 8.984 -1.044 -5.020 1.00 34.42 C ATOM 1642 CG2 VAL A 103 8.801 -3.006 -3.455 1.00 31.45 C ATOM 0 H VAL A 103 6.826 -1.811 -1.648 1.00 52.20 H new ATOM 0 HA VAL A 103 9.369 -0.527 -2.309 1.00 1.34 H new ATOM 0 HB VAL A 103 7.199 -1.738 -4.081 1.00 2.44 H new ATOM 0 HG11 VAL A 103 8.912 -1.737 -5.858 1.00 34.42 H new ATOM 0 HG12 VAL A 103 8.531 -0.092 -5.297 1.00 34.42 H new ATOM 0 HG13 VAL A 103 10.033 -0.887 -4.767 1.00 34.42 H new ATOM 0 HG21 VAL A 103 8.737 -3.659 -4.325 1.00 31.45 H new ATOM 0 HG22 VAL A 103 9.843 -2.913 -3.147 1.00 31.45 H new ATOM 0 HG23 VAL A 103 8.218 -3.431 -2.638 1.00 31.45 H new ATOM 1652 N PHE A 104 8.469 1.772 -2.734 1.00 41.13 N ATOM 1653 CA PHE A 104 8.009 3.127 -3.074 1.00 30.12 C ATOM 1654 C PHE A 104 8.377 3.519 -4.516 1.00 72.14 C ATOM 1655 O PHE A 104 9.343 3.012 -5.091 1.00 2.14 O ATOM 1656 CB PHE A 104 8.596 4.163 -2.102 1.00 61.21 C ATOM 1657 CG PHE A 104 8.126 4.001 -0.678 1.00 74.40 C ATOM 1658 CD1 PHE A 104 6.944 4.591 -0.251 1.00 5.12 C ATOM 1659 CD2 PHE A 104 8.865 3.263 0.232 1.00 23.31 C ATOM 1660 CE1 PHE A 104 6.512 4.445 1.054 1.00 41.54 C ATOM 1661 CE2 PHE A 104 8.437 3.113 1.540 1.00 12.54 C ATOM 1662 CZ PHE A 104 7.257 3.705 1.950 1.00 2.25 C ATOM 0 H PHE A 104 9.392 1.738 -2.301 1.00 41.13 H new ATOM 0 HA PHE A 104 6.922 3.118 -2.989 1.00 30.12 H new ATOM 0 HB2 PHE A 104 9.684 4.093 -2.125 1.00 61.21 H new ATOM 0 HB3 PHE A 104 8.333 5.162 -2.449 1.00 61.21 H new ATOM 0 HD1 PHE A 104 6.355 5.171 -0.946 1.00 5.12 H new ATOM 0 HD2 PHE A 104 9.788 2.798 -0.083 1.00 23.31 H new ATOM 0 HE1 PHE A 104 5.591 4.910 1.373 1.00 41.54 H new ATOM 0 HE2 PHE A 104 9.024 2.535 2.238 1.00 12.54 H new ATOM 0 HZ PHE A 104 6.919 3.589 2.969 1.00 2.25 H new ATOM 1672 N SER A 105 7.589 4.421 -5.092 1.00 64.54 N ATOM 1673 CA SER A 105 7.857 4.981 -6.428 1.00 14.24 C ATOM 1674 C SER A 105 7.359 6.429 -6.499 1.00 70.10 C ATOM 1675 O SER A 105 6.254 6.721 -6.061 1.00 35.42 O ATOM 1676 CB SER A 105 7.167 4.145 -7.521 1.00 31.43 C ATOM 1677 OG SER A 105 7.621 2.798 -7.518 1.00 31.10 O ATOM 0 H SER A 105 6.745 4.789 -4.653 1.00 64.54 H new ATOM 0 HA SER A 105 8.933 4.957 -6.598 1.00 14.24 H new ATOM 0 HB2 SER A 105 6.088 4.166 -7.368 1.00 31.43 H new ATOM 0 HB3 SER A 105 7.359 4.592 -8.497 1.00 31.43 H new ATOM 0 HG SER A 105 7.161 2.296 -8.223 1.00 31.10 H new