USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 865 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 103 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0.48) USER MOD Set 1.2: A 107 TYR OH : rot -119:sc= 0.475 USER MOD Set 2.1: A 94 HIS :FLIP no HE2:sc= -4.62! C(o=-9.3!,f=-8.8!) USER MOD Set 2.2: A 96 ASN :FLIP amide:sc= -4.15! C(o=-9.3!,f=-8.8!) USER MOD Set 3.1: A 67 CYS SG : rot 180:sc= -0.0975 USER MOD Set 3.2: A 78 GLN :FLIP amide:sc= -9.8! C(o=-12!,f=-9.9!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0264 (180deg=-0.948) USER MOD Single : A 62 THR OG1 : rot -108:sc= 0.932 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0124 F(o=-1.2,f=-0.012) USER MOD Single : A 69 THR OG1 : rot -78:sc= 0.306 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 111:sc= 0.241! USER MOD Single : A 79 ASN : amide:sc= -3.06 X(o=-3.1,f=-2.6!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.835! K(o=-0.84!,f=-1.4) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -1.3! C(o=-4.7!,f=-1.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -107:sc= 0.635 (180deg=0.00513) USER MOD Single : A 95 ASN : amide:sc= -5.53! C(o=-5.5!,f=-6.4!) USER MOD Single : A 97 MET CE :methyl -166:sc= -0.31 (180deg=-0.541) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.0411 F(o=-1.8!,f=-0.041) USER MOD Single : A 106 MET CE :methyl -159:sc= -0.33 (180deg=-1.17) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -90:sc= -2.63 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN :FLIP amide:sc= -0.153! C(o=-1.8!,f=-0.15!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-3!) USER MOD Single : A 135 LYS NZ :NH3+ -161:sc= 0.357 (180deg=-0.979!) USER MOD Single : A 137 ASN : amide:sc= -4.74! C(o=-4.7!,f=-10!) USER MOD Single : A 138 SER OG : rot 26:sc= -2.62! USER MOD Single : A 144 GLN :FLIP amide:sc= -2.88! C(o=-3.6!,f=-2.9!) USER MOD Single : A 146 LYS NZ :NH3+ -109:sc= 0.74 (180deg=0.00266) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 43 16.336 3.136 9.407 1.00 0.00 N ATOM 2 CA GLY A 43 17.485 2.381 9.981 1.00 0.00 C ATOM 3 C GLY A 43 18.564 2.202 8.911 1.00 0.00 C ATOM 4 O GLY A 43 19.441 1.370 9.035 1.00 0.00 O ATOM 0 HA2 GLY A 43 17.893 2.916 10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.151 1.408 10.342 1.00 0.00 H new ATOM 8 N SER A 44 18.505 2.978 7.863 1.00 0.00 N ATOM 9 CA SER A 44 19.524 2.858 6.780 1.00 0.00 C ATOM 10 C SER A 44 19.478 1.448 6.185 1.00 0.00 C ATOM 11 O SER A 44 19.164 0.488 6.861 1.00 0.00 O ATOM 12 CB SER A 44 20.918 3.131 7.355 1.00 0.00 C ATOM 13 OG SER A 44 20.842 4.217 8.269 1.00 0.00 O ATOM 0 H SER A 44 17.793 3.692 7.709 1.00 0.00 H new ATOM 0 HA SER A 44 19.308 3.585 5.997 1.00 0.00 H new ATOM 0 HB2 SER A 44 21.297 2.242 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 44 21.617 3.364 6.552 1.00 0.00 H new ATOM 0 HG SER A 44 21.731 4.394 8.641 1.00 0.00 H new ATOM 19 N GLY A 45 19.786 1.316 4.924 1.00 0.00 N ATOM 20 CA GLY A 45 19.759 -0.031 4.288 1.00 0.00 C ATOM 21 C GLY A 45 18.309 -0.494 4.132 1.00 0.00 C ATOM 22 O GLY A 45 17.803 -1.255 4.930 1.00 0.00 O ATOM 0 H GLY A 45 20.055 2.082 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.247 0.005 3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.316 -0.743 4.897 1.00 0.00 H new ATOM 26 N VAL A 46 17.638 -0.037 3.105 1.00 0.00 N ATOM 27 CA VAL A 46 16.219 -0.443 2.885 1.00 0.00 C ATOM 28 C VAL A 46 16.080 -1.971 3.100 1.00 0.00 C ATOM 29 O VAL A 46 16.555 -2.727 2.275 1.00 0.00 O ATOM 30 CB VAL A 46 15.834 -0.112 1.440 1.00 0.00 C ATOM 31 CG1 VAL A 46 14.350 -0.412 1.220 1.00 0.00 C ATOM 32 CG2 VAL A 46 16.097 1.371 1.172 1.00 0.00 C ATOM 0 H VAL A 46 18.015 0.603 2.406 1.00 0.00 H new ATOM 0 HA VAL A 46 15.571 0.086 3.583 1.00 0.00 H new ATOM 0 HB VAL A 46 16.430 -0.720 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.080 -0.175 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.160 -1.468 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.752 0.193 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.824 1.609 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.501 1.976 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.154 1.587 1.325 1.00 0.00 H new ATOM 42 N PRO A 47 15.457 -2.411 4.188 1.00 0.00 N ATOM 43 CA PRO A 47 15.314 -3.860 4.439 1.00 0.00 C ATOM 44 C PRO A 47 14.521 -4.517 3.299 1.00 0.00 C ATOM 45 O PRO A 47 13.971 -3.850 2.447 1.00 0.00 O ATOM 46 CB PRO A 47 14.565 -3.966 5.790 1.00 0.00 C ATOM 47 CG PRO A 47 14.336 -2.518 6.312 1.00 0.00 C ATOM 48 CD PRO A 47 14.856 -1.544 5.229 1.00 0.00 C ATOM 0 HA PRO A 47 16.274 -4.375 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.614 -4.482 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.147 -4.545 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.278 -2.344 6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.864 -2.362 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.046 -0.940 4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.592 -0.853 5.640 1.00 0.00 H new ATOM 56 N ALA A 48 14.462 -5.823 3.283 1.00 0.00 N ATOM 57 CA ALA A 48 13.710 -6.523 2.204 1.00 0.00 C ATOM 58 C ALA A 48 12.215 -6.502 2.524 1.00 0.00 C ATOM 59 O ALA A 48 11.594 -7.530 2.706 1.00 0.00 O ATOM 60 CB ALA A 48 14.187 -7.973 2.106 1.00 0.00 C ATOM 0 H ALA A 48 14.903 -6.434 3.971 1.00 0.00 H new ATOM 0 HA ALA A 48 13.886 -6.016 1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.636 -8.485 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.252 -7.991 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.013 -8.478 3.056 1.00 0.00 H new ATOM 66 N PHE A 49 11.630 -5.335 2.589 1.00 0.00 N ATOM 67 CA PHE A 49 10.171 -5.230 2.891 1.00 0.00 C ATOM 68 C PHE A 49 9.583 -4.094 2.045 1.00 0.00 C ATOM 69 O PHE A 49 8.693 -4.301 1.241 1.00 0.00 O ATOM 70 CB PHE A 49 9.985 -4.948 4.393 1.00 0.00 C ATOM 71 CG PHE A 49 8.614 -4.358 4.673 1.00 0.00 C ATOM 72 CD1 PHE A 49 7.464 -4.909 4.074 1.00 0.00 C ATOM 73 CD2 PHE A 49 8.493 -3.251 5.535 1.00 0.00 C ATOM 74 CE1 PHE A 49 6.196 -4.353 4.336 1.00 0.00 C ATOM 75 CE2 PHE A 49 7.226 -2.696 5.795 1.00 0.00 C ATOM 76 CZ PHE A 49 6.077 -3.245 5.197 1.00 0.00 C ATOM 0 H PHE A 49 12.104 -4.443 2.445 1.00 0.00 H new ATOM 0 HA PHE A 49 9.656 -6.160 2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.109 -5.872 4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.757 -4.259 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.554 -5.758 3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.373 -2.828 5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.315 -4.777 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.136 -1.846 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.106 -2.818 5.398 1.00 0.00 H new ATOM 86 N LEU A 50 10.085 -2.902 2.203 1.00 0.00 N ATOM 87 CA LEU A 50 9.563 -1.772 1.389 1.00 0.00 C ATOM 88 C LEU A 50 9.902 -2.046 -0.078 1.00 0.00 C ATOM 89 O LEU A 50 9.025 -2.207 -0.900 1.00 0.00 O ATOM 90 CB LEU A 50 10.213 -0.450 1.856 1.00 0.00 C ATOM 91 CG LEU A 50 9.331 0.242 2.910 1.00 0.00 C ATOM 92 CD1 LEU A 50 9.019 -0.728 4.057 1.00 0.00 C ATOM 93 CD2 LEU A 50 10.067 1.468 3.458 1.00 0.00 C ATOM 0 H LEU A 50 10.830 -2.663 2.857 1.00 0.00 H new ATOM 0 HA LEU A 50 8.483 -1.681 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.199 -0.651 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.357 0.212 1.002 1.00 0.00 H new ATOM 0 HG LEU A 50 8.394 0.552 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.394 -0.228 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.491 -1.597 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.949 -1.049 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.446 1.962 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.005 1.155 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.275 2.162 2.643 1.00 0.00 H new ATOM 105 N ALA A 51 11.173 -2.104 -0.397 1.00 0.00 N ATOM 106 CA ALA A 51 11.611 -2.367 -1.808 1.00 0.00 C ATOM 107 C ALA A 51 10.645 -3.327 -2.513 1.00 0.00 C ATOM 108 O ALA A 51 10.455 -3.260 -3.712 1.00 0.00 O ATOM 109 CB ALA A 51 13.011 -2.985 -1.789 1.00 0.00 C ATOM 0 H ALA A 51 11.936 -1.979 0.268 1.00 0.00 H new ATOM 0 HA ALA A 51 11.619 -1.423 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 51 13.337 -3.179 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.707 -2.295 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.988 -3.921 -1.231 1.00 0.00 H new ATOM 115 N LYS A 52 10.026 -4.212 -1.783 1.00 0.00 N ATOM 116 CA LYS A 52 9.073 -5.162 -2.421 1.00 0.00 C ATOM 117 C LYS A 52 7.774 -4.427 -2.771 1.00 0.00 C ATOM 118 O LYS A 52 7.221 -4.605 -3.839 1.00 0.00 O ATOM 119 CB LYS A 52 8.774 -6.315 -1.459 1.00 0.00 C ATOM 120 CG LYS A 52 9.966 -7.276 -1.431 1.00 0.00 C ATOM 121 CD LYS A 52 9.775 -8.301 -0.310 1.00 0.00 C ATOM 122 CE LYS A 52 10.738 -9.472 -0.517 1.00 0.00 C ATOM 123 NZ LYS A 52 12.046 -8.956 -1.013 1.00 0.00 N ATOM 0 H LYS A 52 10.138 -4.319 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 52 9.516 -5.563 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.581 -5.928 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.874 -6.843 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.058 -7.785 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.890 -6.720 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.956 -7.834 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.746 -8.660 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.879 -10.011 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.319 -10.180 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.788 -9.663 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.981 -8.770 -2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.283 -8.074 -0.515 1.00 0.00 H new ATOM 137 N LEU A 53 7.277 -3.606 -1.883 1.00 0.00 N ATOM 138 CA LEU A 53 6.009 -2.870 -2.179 1.00 0.00 C ATOM 139 C LEU A 53 6.107 -2.180 -3.548 1.00 0.00 C ATOM 140 O LEU A 53 5.136 -2.092 -4.268 1.00 0.00 O ATOM 141 CB LEU A 53 5.745 -1.815 -1.081 1.00 0.00 C ATOM 142 CG LEU A 53 4.978 -2.443 0.100 1.00 0.00 C ATOM 143 CD1 LEU A 53 5.237 -1.637 1.382 1.00 0.00 C ATOM 144 CD2 LEU A 53 3.468 -2.440 -0.196 1.00 0.00 C ATOM 0 H LEU A 53 7.690 -3.413 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 53 5.184 -3.582 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.691 -1.403 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.171 -0.986 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 53 5.324 -3.468 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.692 -2.087 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.304 -1.641 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.899 -0.610 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.932 -2.885 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.128 -1.415 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.273 -3.018 -1.099 1.00 0.00 H new ATOM 156 N TRP A 54 7.258 -1.685 -3.912 1.00 0.00 N ATOM 157 CA TRP A 54 7.376 -0.998 -5.238 1.00 0.00 C ATOM 158 C TRP A 54 7.510 -2.046 -6.348 1.00 0.00 C ATOM 159 O TRP A 54 7.150 -1.805 -7.484 1.00 0.00 O ATOM 160 CB TRP A 54 8.610 -0.080 -5.248 1.00 0.00 C ATOM 161 CG TRP A 54 8.306 1.202 -4.531 1.00 0.00 C ATOM 162 CD1 TRP A 54 8.149 2.411 -5.120 1.00 0.00 C ATOM 163 CD2 TRP A 54 8.130 1.419 -3.105 1.00 0.00 C ATOM 164 NE1 TRP A 54 7.887 3.357 -4.141 1.00 0.00 N ATOM 165 CE2 TRP A 54 7.865 2.793 -2.881 1.00 0.00 C ATOM 166 CE3 TRP A 54 8.174 0.558 -1.994 1.00 0.00 C ATOM 167 CZ2 TRP A 54 7.652 3.294 -1.586 1.00 0.00 C ATOM 168 CZ3 TRP A 54 7.960 1.052 -0.691 1.00 0.00 C ATOM 169 CH2 TRP A 54 7.701 2.419 -0.487 1.00 0.00 C ATOM 0 H TRP A 54 8.115 -1.723 -3.359 1.00 0.00 H new ATOM 0 HA TRP A 54 6.483 -0.397 -5.408 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.450 -0.583 -4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.908 0.131 -6.275 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.217 2.607 -6.180 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.730 4.347 -4.328 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.374 -0.493 -2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.452 4.345 -1.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.995 0.379 0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.540 2.796 0.512 1.00 0.00 H new ATOM 180 N ARG A 55 8.030 -3.200 -6.037 1.00 0.00 N ATOM 181 CA ARG A 55 8.190 -4.248 -7.086 1.00 0.00 C ATOM 182 C ARG A 55 6.825 -4.844 -7.448 1.00 0.00 C ATOM 183 O ARG A 55 6.455 -4.904 -8.604 1.00 0.00 O ATOM 184 CB ARG A 55 9.107 -5.358 -6.564 1.00 0.00 C ATOM 185 CG ARG A 55 10.558 -4.872 -6.577 1.00 0.00 C ATOM 186 CD ARG A 55 11.475 -5.992 -6.080 1.00 0.00 C ATOM 187 NE ARG A 55 12.817 -5.428 -5.760 1.00 0.00 N ATOM 188 CZ ARG A 55 13.662 -6.124 -5.049 1.00 0.00 C ATOM 189 NH1 ARG A 55 13.332 -7.311 -4.620 1.00 0.00 N ATOM 190 NH2 ARG A 55 14.837 -5.631 -4.767 1.00 0.00 N ATOM 0 H ARG A 55 8.351 -3.464 -5.105 1.00 0.00 H new ATOM 0 HA ARG A 55 8.629 -3.796 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.816 -5.639 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.006 -6.249 -7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.844 -4.574 -7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.664 -3.992 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.046 -6.463 -5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.566 -6.767 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 55 13.075 -4.500 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.413 -7.696 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.993 -7.854 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.094 -4.703 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.498 -6.174 -4.211 1.00 0.00 H new ATOM 204 N LEU A 56 6.079 -5.298 -6.476 1.00 0.00 N ATOM 205 CA LEU A 56 4.748 -5.899 -6.783 1.00 0.00 C ATOM 206 C LEU A 56 3.769 -4.805 -7.220 1.00 0.00 C ATOM 207 O LEU A 56 2.798 -5.069 -7.902 1.00 0.00 O ATOM 208 CB LEU A 56 4.221 -6.640 -5.539 1.00 0.00 C ATOM 209 CG LEU A 56 3.699 -5.639 -4.471 1.00 0.00 C ATOM 210 CD1 LEU A 56 2.170 -5.520 -4.550 1.00 0.00 C ATOM 211 CD2 LEU A 56 4.076 -6.128 -3.065 1.00 0.00 C ATOM 0 H LEU A 56 6.332 -5.279 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 56 4.848 -6.613 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.419 -7.319 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.016 -7.251 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 56 4.154 -4.668 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.820 -4.815 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.883 -5.164 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.719 -6.496 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.706 -5.421 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.629 -7.106 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.160 -6.204 -2.985 1.00 0.00 H new ATOM 223 N VAL A 57 4.017 -3.576 -6.854 1.00 0.00 N ATOM 224 CA VAL A 57 3.099 -2.475 -7.273 1.00 0.00 C ATOM 225 C VAL A 57 3.486 -2.023 -8.684 1.00 0.00 C ATOM 226 O VAL A 57 2.777 -1.272 -9.323 1.00 0.00 O ATOM 227 CB VAL A 57 3.233 -1.292 -6.302 1.00 0.00 C ATOM 228 CG1 VAL A 57 2.491 -0.073 -6.862 1.00 0.00 C ATOM 229 CG2 VAL A 57 2.635 -1.669 -4.939 1.00 0.00 C ATOM 0 H VAL A 57 4.812 -3.286 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 57 2.068 -2.829 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 57 4.289 -1.050 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.589 0.763 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.919 0.202 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.436 -0.316 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.732 -0.827 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.581 -1.918 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.167 -2.530 -4.534 1.00 0.00 H new ATOM 239 N ASP A 58 4.615 -2.470 -9.168 1.00 0.00 N ATOM 240 CA ASP A 58 5.063 -2.062 -10.533 1.00 0.00 C ATOM 241 C ASP A 58 4.507 -3.023 -11.586 1.00 0.00 C ATOM 242 O ASP A 58 4.091 -2.610 -12.650 1.00 0.00 O ATOM 243 CB ASP A 58 6.592 -2.082 -10.588 1.00 0.00 C ATOM 244 CG ASP A 58 7.060 -1.573 -11.952 1.00 0.00 C ATOM 245 OD1 ASP A 58 6.223 -1.426 -12.827 1.00 0.00 O ATOM 246 OD2 ASP A 58 8.248 -1.338 -12.099 1.00 0.00 O ATOM 0 H ASP A 58 5.248 -3.101 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 58 4.694 -1.058 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.003 -1.458 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.959 -3.094 -10.420 1.00 0.00 H new ATOM 251 N ASP A 59 4.506 -4.303 -11.316 1.00 0.00 N ATOM 252 CA ASP A 59 3.986 -5.263 -12.332 1.00 0.00 C ATOM 253 C ASP A 59 3.847 -6.661 -11.725 1.00 0.00 C ATOM 254 O ASP A 59 3.587 -6.819 -10.549 1.00 0.00 O ATOM 255 CB ASP A 59 4.966 -5.312 -13.510 1.00 0.00 C ATOM 256 CG ASP A 59 4.263 -5.870 -14.751 1.00 0.00 C ATOM 257 OD1 ASP A 59 3.180 -5.398 -15.057 1.00 0.00 O ATOM 258 OD2 ASP A 59 4.818 -6.760 -15.373 1.00 0.00 O ATOM 0 H ASP A 59 4.839 -4.720 -10.447 1.00 0.00 H new ATOM 0 HA ASP A 59 3.004 -4.933 -12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.349 -4.313 -13.717 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.823 -5.936 -13.256 1.00 0.00 H new ATOM 263 N ALA A 60 4.016 -7.671 -12.540 1.00 0.00 N ATOM 264 CA ALA A 60 3.900 -9.084 -12.065 1.00 0.00 C ATOM 265 C ALA A 60 2.428 -9.482 -11.984 1.00 0.00 C ATOM 266 O ALA A 60 1.555 -8.784 -12.461 1.00 0.00 O ATOM 267 CB ALA A 60 4.553 -9.242 -10.682 1.00 0.00 C ATOM 0 H ALA A 60 4.233 -7.574 -13.532 1.00 0.00 H new ATOM 0 HA ALA A 60 4.415 -9.733 -12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.459 -10.276 -10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.608 -8.975 -10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.055 -8.586 -9.968 1.00 0.00 H new ATOM 273 N ASP A 61 2.149 -10.601 -11.375 1.00 0.00 N ATOM 274 CA ASP A 61 0.742 -11.047 -11.252 1.00 0.00 C ATOM 275 C ASP A 61 0.076 -10.276 -10.115 1.00 0.00 C ATOM 276 O ASP A 61 -0.364 -10.847 -9.137 1.00 0.00 O ATOM 277 CB ASP A 61 0.701 -12.547 -10.950 1.00 0.00 C ATOM 278 CG ASP A 61 1.660 -13.282 -11.887 1.00 0.00 C ATOM 279 OD1 ASP A 61 2.858 -13.151 -11.699 1.00 0.00 O ATOM 280 OD2 ASP A 61 1.181 -13.965 -12.778 1.00 0.00 O ATOM 0 H ASP A 61 2.840 -11.224 -10.958 1.00 0.00 H new ATOM 0 HA ASP A 61 0.213 -10.858 -12.186 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.980 -12.728 -9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.312 -12.927 -11.078 1.00 0.00 H new ATOM 285 N THR A 62 0.017 -8.974 -10.238 1.00 0.00 N ATOM 286 CA THR A 62 -0.600 -8.125 -9.171 1.00 0.00 C ATOM 287 C THR A 62 -1.729 -7.283 -9.773 1.00 0.00 C ATOM 288 O THR A 62 -2.289 -6.425 -9.122 1.00 0.00 O ATOM 289 CB THR A 62 0.473 -7.196 -8.594 1.00 0.00 C ATOM 290 OG1 THR A 62 0.949 -6.336 -9.620 1.00 0.00 O ATOM 291 CG2 THR A 62 1.639 -8.022 -8.036 1.00 0.00 C ATOM 0 H THR A 62 0.374 -8.456 -11.041 1.00 0.00 H new ATOM 0 HA THR A 62 -1.005 -8.761 -8.384 1.00 0.00 H new ATOM 0 HB THR A 62 0.040 -6.604 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.858 -6.600 -9.873 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.397 -7.353 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.274 -8.680 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.076 -8.621 -8.835 1.00 0.00 H new ATOM 299 N ASN A 63 -2.069 -7.520 -11.011 1.00 0.00 N ATOM 300 CA ASN A 63 -3.163 -6.730 -11.650 1.00 0.00 C ATOM 301 C ASN A 63 -4.513 -7.384 -11.347 1.00 0.00 C ATOM 302 O ASN A 63 -5.283 -7.679 -12.239 1.00 0.00 O ATOM 303 CB ASN A 63 -2.946 -6.698 -13.165 1.00 0.00 C ATOM 304 CG ASN A 63 -2.789 -8.126 -13.690 1.00 0.00 C ATOM 305 OD1 ASN A 63 -1.597 -8.583 -13.958 1.00 0.00 O flip ATOM 306 ND2 ASN A 63 -3.763 -8.835 -13.855 1.00 0.00 N flip ATOM 0 H ASN A 63 -1.638 -8.226 -11.608 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.155 -5.714 -11.255 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.790 -6.211 -13.653 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.058 -6.112 -13.403 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.695 -8.478 -13.645 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.648 -9.787 -14.203 1.00 0.00 H new ATOM 313 N ARG A 64 -4.810 -7.616 -10.093 1.00 0.00 N ATOM 314 CA ARG A 64 -6.117 -8.255 -9.743 1.00 0.00 C ATOM 315 C ARG A 64 -6.523 -7.891 -8.313 1.00 0.00 C ATOM 316 O ARG A 64 -7.690 -7.879 -7.978 1.00 0.00 O ATOM 317 CB ARG A 64 -5.993 -9.783 -9.838 1.00 0.00 C ATOM 318 CG ARG A 64 -4.764 -10.281 -9.033 1.00 0.00 C ATOM 319 CD ARG A 64 -3.553 -10.434 -9.960 1.00 0.00 C ATOM 320 NE ARG A 64 -3.884 -11.354 -11.101 1.00 0.00 N ATOM 321 CZ ARG A 64 -4.281 -12.584 -10.905 1.00 0.00 C ATOM 322 NH1 ARG A 64 -4.235 -13.117 -9.716 1.00 0.00 N ATOM 323 NH2 ARG A 64 -4.676 -13.304 -11.920 1.00 0.00 N ATOM 0 H ARG A 64 -4.209 -7.392 -9.300 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.871 -7.894 -10.442 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.900 -10.252 -9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.896 -10.081 -10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.533 -9.576 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.992 -11.236 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.255 -9.459 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.705 -10.828 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.796 -11.009 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.887 -12.573 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.548 -14.078 -9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.674 -12.906 -12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.987 -14.264 -11.774 1.00 0.00 H new ATOM 337 N LEU A 65 -5.565 -7.631 -7.460 1.00 0.00 N ATOM 338 CA LEU A 65 -5.869 -7.309 -6.032 1.00 0.00 C ATOM 339 C LEU A 65 -5.201 -5.987 -5.651 1.00 0.00 C ATOM 340 O LEU A 65 -5.321 -5.519 -4.535 1.00 0.00 O ATOM 341 CB LEU A 65 -5.300 -8.441 -5.164 1.00 0.00 C ATOM 342 CG LEU A 65 -5.961 -9.787 -5.544 1.00 0.00 C ATOM 343 CD1 LEU A 65 -5.017 -10.948 -5.206 1.00 0.00 C ATOM 344 CD2 LEU A 65 -7.269 -9.968 -4.759 1.00 0.00 C ATOM 0 H LEU A 65 -4.572 -7.628 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.945 -7.215 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.220 -8.506 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.476 -8.225 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.170 -9.782 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.490 -11.892 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.087 -10.835 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.802 -10.943 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.729 -10.918 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.056 -9.962 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.952 -9.153 -4.997 1.00 0.00 H new ATOM 356 N ILE A 66 -4.496 -5.381 -6.565 1.00 0.00 N ATOM 357 CA ILE A 66 -3.821 -4.092 -6.251 1.00 0.00 C ATOM 358 C ILE A 66 -3.493 -3.360 -7.555 1.00 0.00 C ATOM 359 O ILE A 66 -3.231 -3.971 -8.571 1.00 0.00 O ATOM 360 CB ILE A 66 -2.531 -4.377 -5.477 1.00 0.00 C ATOM 361 CG1 ILE A 66 -1.883 -3.058 -5.035 1.00 0.00 C ATOM 362 CG2 ILE A 66 -1.565 -5.153 -6.371 1.00 0.00 C ATOM 363 CD1 ILE A 66 -0.516 -3.334 -4.402 1.00 0.00 C ATOM 0 H ILE A 66 -4.358 -5.723 -7.516 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.477 -3.468 -5.645 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.765 -4.970 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.769 -2.394 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.528 -2.548 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.646 -5.357 -5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.024 -6.094 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.335 -4.562 -7.257 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.062 -2.393 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.641 -3.981 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.130 -3.825 -5.130 1.00 0.00 H new ATOM 375 N CYS A 67 -3.507 -2.055 -7.533 1.00 0.00 N ATOM 376 CA CYS A 67 -3.196 -1.284 -8.770 1.00 0.00 C ATOM 377 C CYS A 67 -2.794 0.144 -8.397 1.00 0.00 C ATOM 378 O CYS A 67 -2.974 0.576 -7.275 1.00 0.00 O ATOM 379 CB CYS A 67 -4.432 -1.246 -9.672 1.00 0.00 C ATOM 380 SG CYS A 67 -5.890 -0.841 -8.679 1.00 0.00 S ATOM 0 H CYS A 67 -3.720 -1.489 -6.711 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.374 -1.765 -9.299 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.298 -0.505 -10.460 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.568 -2.210 -10.161 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.940 -0.807 -9.444 1.00 0.00 H new ATOM 386 N TRP A 68 -2.253 0.882 -9.328 1.00 0.00 N ATOM 387 CA TRP A 68 -1.843 2.283 -9.028 1.00 0.00 C ATOM 388 C TRP A 68 -3.090 3.135 -8.774 1.00 0.00 C ATOM 389 O TRP A 68 -4.202 2.717 -9.026 1.00 0.00 O ATOM 390 CB TRP A 68 -1.075 2.858 -10.225 1.00 0.00 C ATOM 391 CG TRP A 68 0.320 2.319 -10.249 1.00 0.00 C ATOM 392 CD1 TRP A 68 0.733 1.262 -10.987 1.00 0.00 C ATOM 393 CD2 TRP A 68 1.491 2.795 -9.522 1.00 0.00 C ATOM 394 NE1 TRP A 68 2.084 1.057 -10.763 1.00 0.00 N ATOM 395 CE2 TRP A 68 2.599 1.975 -9.869 1.00 0.00 C ATOM 396 CE3 TRP A 68 1.699 3.850 -8.604 1.00 0.00 C ATOM 397 CZ2 TRP A 68 3.872 2.195 -9.324 1.00 0.00 C ATOM 398 CZ3 TRP A 68 2.979 4.074 -8.052 1.00 0.00 C ATOM 399 CH2 TRP A 68 4.062 3.248 -8.413 1.00 0.00 C ATOM 0 H TRP A 68 -2.077 0.574 -10.285 1.00 0.00 H new ATOM 0 HA TRP A 68 -1.205 2.293 -8.144 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.588 2.602 -11.152 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.052 3.946 -10.163 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.110 0.674 -11.644 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.632 0.318 -11.204 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.874 4.488 -8.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 4.700 1.560 -9.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.129 4.881 -7.350 1.00 0.00 H new ATOM 0 HH2 TRP A 68 5.039 3.424 -7.989 1.00 0.00 H new ATOM 410 N THR A 69 -2.909 4.334 -8.285 1.00 0.00 N ATOM 411 CA THR A 69 -4.078 5.224 -8.022 1.00 0.00 C ATOM 412 C THR A 69 -4.384 6.037 -9.281 1.00 0.00 C ATOM 413 O THR A 69 -3.963 5.695 -10.367 1.00 0.00 O ATOM 414 CB THR A 69 -3.742 6.180 -6.874 1.00 0.00 C ATOM 415 OG1 THR A 69 -2.503 6.822 -7.141 1.00 0.00 O ATOM 416 CG2 THR A 69 -3.639 5.392 -5.569 1.00 0.00 C ATOM 0 H THR A 69 -2.000 4.736 -8.056 1.00 0.00 H new ATOM 0 HA THR A 69 -4.944 4.620 -7.753 1.00 0.00 H new ATOM 0 HB THR A 69 -4.527 6.930 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.766 6.209 -6.938 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.400 6.072 -4.751 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.590 4.900 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.854 4.641 -5.658 1.00 0.00 H new ATOM 424 N LYS A 70 -5.109 7.114 -9.144 1.00 0.00 N ATOM 425 CA LYS A 70 -5.434 7.952 -10.333 1.00 0.00 C ATOM 426 C LYS A 70 -4.160 8.188 -11.151 1.00 0.00 C ATOM 427 O LYS A 70 -4.209 8.492 -12.326 1.00 0.00 O ATOM 428 CB LYS A 70 -6.005 9.295 -9.868 1.00 0.00 C ATOM 429 CG LYS A 70 -6.762 9.960 -11.023 1.00 0.00 C ATOM 430 CD LYS A 70 -6.944 11.447 -10.728 1.00 0.00 C ATOM 431 CE LYS A 70 -7.797 11.622 -9.469 1.00 0.00 C ATOM 432 NZ LYS A 70 -8.249 13.038 -9.369 1.00 0.00 N ATOM 0 H LYS A 70 -5.490 7.450 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.172 7.441 -10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.674 9.143 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.200 9.945 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.212 9.829 -11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.733 9.484 -11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.973 11.922 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.422 11.940 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.659 10.956 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.220 11.350 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.829 13.158 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.420 13.664 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.814 13.282 -10.207 1.00 0.00 H new ATOM 446 N ASP A 71 -3.020 8.044 -10.531 1.00 0.00 N ATOM 447 CA ASP A 71 -1.736 8.252 -11.258 1.00 0.00 C ATOM 448 C ASP A 71 -0.616 7.512 -10.524 1.00 0.00 C ATOM 449 O ASP A 71 -0.863 6.648 -9.707 1.00 0.00 O ATOM 450 CB ASP A 71 -1.411 9.746 -11.307 1.00 0.00 C ATOM 451 CG ASP A 71 -2.616 10.517 -11.850 1.00 0.00 C ATOM 452 OD1 ASP A 71 -2.918 10.355 -13.021 1.00 0.00 O ATOM 453 OD2 ASP A 71 -3.216 11.255 -11.086 1.00 0.00 O ATOM 0 H ASP A 71 -2.923 7.790 -9.548 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.826 7.868 -12.274 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.156 10.106 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.541 9.918 -11.940 1.00 0.00 H new ATOM 458 N GLY A 72 0.615 7.846 -10.805 1.00 0.00 N ATOM 459 CA GLY A 72 1.756 7.166 -10.120 1.00 0.00 C ATOM 460 C GLY A 72 2.132 7.959 -8.867 1.00 0.00 C ATOM 461 O GLY A 72 3.267 7.950 -8.431 1.00 0.00 O ATOM 0 H GLY A 72 0.882 8.562 -11.481 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.479 6.147 -9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.611 7.097 -10.792 1.00 0.00 H new ATOM 465 N GLN A 73 1.187 8.652 -8.289 1.00 0.00 N ATOM 466 CA GLN A 73 1.480 9.459 -7.068 1.00 0.00 C ATOM 467 C GLN A 73 1.261 8.610 -5.812 1.00 0.00 C ATOM 468 O GLN A 73 1.841 8.861 -4.775 1.00 0.00 O ATOM 469 CB GLN A 73 0.542 10.668 -7.032 1.00 0.00 C ATOM 470 CG GLN A 73 0.990 11.693 -8.077 1.00 0.00 C ATOM 471 CD GLN A 73 0.070 12.914 -8.024 1.00 0.00 C ATOM 472 OE1 GLN A 73 -0.981 12.924 -8.635 1.00 0.00 O ATOM 473 NE2 GLN A 73 0.422 13.951 -7.314 1.00 0.00 N ATOM 0 H GLN A 73 0.220 8.694 -8.612 1.00 0.00 H new ATOM 0 HA GLN A 73 2.518 9.791 -7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.482 10.353 -7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.549 11.118 -6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.021 11.993 -7.888 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.964 11.248 -9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.304 13.943 -6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.185 14.770 -7.272 1.00 0.00 H new ATOM 482 N SER A 74 0.427 7.608 -5.885 1.00 0.00 N ATOM 483 CA SER A 74 0.180 6.757 -4.683 1.00 0.00 C ATOM 484 C SER A 74 -0.267 5.361 -5.129 1.00 0.00 C ATOM 485 O SER A 74 -0.283 5.057 -6.305 1.00 0.00 O ATOM 486 CB SER A 74 -0.909 7.409 -3.822 1.00 0.00 C ATOM 487 OG SER A 74 -1.627 6.402 -3.121 1.00 0.00 O ATOM 0 H SER A 74 -0.093 7.342 -6.721 1.00 0.00 H new ATOM 0 HA SER A 74 1.095 6.665 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.460 8.108 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.589 7.984 -4.451 1.00 0.00 H new ATOM 0 HG SER A 74 -1.425 6.463 -2.164 1.00 0.00 H new ATOM 493 N PHE A 75 -0.619 4.506 -4.195 1.00 0.00 N ATOM 494 CA PHE A 75 -1.058 3.117 -4.555 1.00 0.00 C ATOM 495 C PHE A 75 -2.383 2.808 -3.860 1.00 0.00 C ATOM 496 O PHE A 75 -2.782 3.487 -2.935 1.00 0.00 O ATOM 497 CB PHE A 75 0.008 2.108 -4.104 1.00 0.00 C ATOM 498 CG PHE A 75 0.260 2.252 -2.620 1.00 0.00 C ATOM 499 CD1 PHE A 75 0.928 3.389 -2.126 1.00 0.00 C ATOM 500 CD2 PHE A 75 -0.172 1.249 -1.729 1.00 0.00 C ATOM 501 CE1 PHE A 75 1.161 3.526 -0.747 1.00 0.00 C ATOM 502 CE2 PHE A 75 0.062 1.385 -0.346 1.00 0.00 C ATOM 503 CZ PHE A 75 0.728 2.525 0.146 1.00 0.00 C ATOM 0 H PHE A 75 -0.621 4.711 -3.196 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.189 3.045 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.321 1.094 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.933 2.273 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.262 4.157 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.683 0.375 -2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.673 4.400 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.269 0.616 0.336 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.906 2.632 1.206 1.00 0.00 H new ATOM 513 N VAL A 76 -3.078 1.793 -4.305 1.00 0.00 N ATOM 514 CA VAL A 76 -4.387 1.444 -3.676 1.00 0.00 C ATOM 515 C VAL A 76 -4.593 -0.069 -3.728 1.00 0.00 C ATOM 516 O VAL A 76 -4.001 -0.765 -4.529 1.00 0.00 O ATOM 517 CB VAL A 76 -5.513 2.162 -4.436 1.00 0.00 C ATOM 518 CG1 VAL A 76 -5.265 2.053 -5.941 1.00 0.00 C ATOM 519 CG2 VAL A 76 -6.882 1.548 -4.103 1.00 0.00 C ATOM 0 H VAL A 76 -2.795 1.190 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.397 1.762 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.518 3.209 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.064 2.563 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.309 2.516 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.244 1.003 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.661 2.075 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.887 0.495 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.071 1.638 -3.033 1.00 0.00 H new ATOM 529 N ILE A 77 -5.437 -0.571 -2.868 1.00 0.00 N ATOM 530 CA ILE A 77 -5.720 -2.039 -2.819 1.00 0.00 C ATOM 531 C ILE A 77 -7.229 -2.248 -2.978 1.00 0.00 C ATOM 532 O ILE A 77 -8.026 -1.579 -2.350 1.00 0.00 O ATOM 533 CB ILE A 77 -5.255 -2.594 -1.465 1.00 0.00 C ATOM 534 CG1 ILE A 77 -3.748 -2.294 -1.262 1.00 0.00 C ATOM 535 CG2 ILE A 77 -5.492 -4.108 -1.421 1.00 0.00 C ATOM 536 CD1 ILE A 77 -3.433 -2.178 0.233 1.00 0.00 C ATOM 0 H ILE A 77 -5.953 -0.017 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.191 -2.558 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.824 -2.116 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.148 -3.087 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.481 -1.368 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.161 -4.500 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.554 -4.314 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.929 -4.588 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.372 -1.967 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.021 -1.369 0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.682 -3.115 0.731 1.00 0.00 H new ATOM 548 N GLN A 78 -7.631 -3.157 -3.824 1.00 0.00 N ATOM 549 CA GLN A 78 -9.090 -3.386 -4.035 1.00 0.00 C ATOM 550 C GLN A 78 -9.683 -4.165 -2.861 1.00 0.00 C ATOM 551 O GLN A 78 -9.955 -3.617 -1.811 1.00 0.00 O ATOM 552 CB GLN A 78 -9.298 -4.178 -5.327 1.00 0.00 C ATOM 553 CG GLN A 78 -8.850 -3.337 -6.525 1.00 0.00 C ATOM 554 CD GLN A 78 -7.322 -3.280 -6.566 1.00 0.00 C ATOM 555 OE1 GLN A 78 -6.667 -4.161 -7.273 1.00 0.00 O flip ATOM 556 NE2 GLN A 78 -6.718 -2.425 -5.950 1.00 0.00 N flip ATOM 0 H GLN A 78 -7.014 -3.751 -4.378 1.00 0.00 H new ATOM 0 HA GLN A 78 -9.591 -2.421 -4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.730 -5.108 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.348 -4.450 -5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.233 -3.769 -7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -9.260 -2.330 -6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.230 -1.737 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.699 -2.395 -5.985 1.00 0.00 H new ATOM 565 N ASN A 79 -9.904 -5.439 -3.038 1.00 0.00 N ATOM 566 CA ASN A 79 -10.500 -6.253 -1.939 1.00 0.00 C ATOM 567 C ASN A 79 -9.420 -6.614 -0.919 1.00 0.00 C ATOM 568 O ASN A 79 -8.439 -7.254 -1.239 1.00 0.00 O ATOM 569 CB ASN A 79 -11.098 -7.534 -2.522 1.00 0.00 C ATOM 570 CG ASN A 79 -12.360 -7.194 -3.316 1.00 0.00 C ATOM 571 OD1 ASN A 79 -13.362 -6.805 -2.749 1.00 0.00 O ATOM 572 ND2 ASN A 79 -12.354 -7.325 -4.614 1.00 0.00 N ATOM 0 H ASN A 79 -9.698 -5.952 -3.895 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.282 -5.675 -1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.371 -8.026 -3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.337 -8.233 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.190 -7.101 -5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.513 -7.651 -5.090 1.00 0.00 H new ATOM 579 N GLN A 80 -9.600 -6.211 0.309 1.00 0.00 N ATOM 580 CA GLN A 80 -8.590 -6.533 1.354 1.00 0.00 C ATOM 581 C GLN A 80 -8.737 -8.006 1.759 1.00 0.00 C ATOM 582 O GLN A 80 -8.235 -8.432 2.780 1.00 0.00 O ATOM 583 CB GLN A 80 -8.815 -5.624 2.573 1.00 0.00 C ATOM 584 CG GLN A 80 -10.310 -5.342 2.736 1.00 0.00 C ATOM 585 CD GLN A 80 -10.577 -4.772 4.131 1.00 0.00 C ATOM 586 OE1 GLN A 80 -11.275 -5.373 4.923 1.00 0.00 O ATOM 587 NE2 GLN A 80 -10.044 -3.628 4.467 1.00 0.00 N ATOM 0 H GLN A 80 -10.403 -5.673 0.633 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.585 -6.367 0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.425 -6.101 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.270 -4.688 2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.642 -4.637 1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.881 -6.259 2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.458 -3.123 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.214 -3.239 5.395 1.00 0.00 H new ATOM 596 N ALA A 81 -9.428 -8.785 0.965 1.00 0.00 N ATOM 597 CA ALA A 81 -9.619 -10.229 1.293 1.00 0.00 C ATOM 598 C ALA A 81 -8.540 -11.068 0.605 1.00 0.00 C ATOM 599 O ALA A 81 -7.484 -11.314 1.153 1.00 0.00 O ATOM 600 CB ALA A 81 -10.993 -10.685 0.800 1.00 0.00 C ATOM 0 H ALA A 81 -9.870 -8.479 0.098 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.548 -10.360 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.134 -11.739 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.769 -10.095 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.057 -10.546 -0.279 1.00 0.00 H new ATOM 606 N GLN A 82 -8.806 -11.517 -0.592 1.00 0.00 N ATOM 607 CA GLN A 82 -7.807 -12.350 -1.320 1.00 0.00 C ATOM 608 C GLN A 82 -6.536 -11.527 -1.564 1.00 0.00 C ATOM 609 O GLN A 82 -5.598 -11.983 -2.184 1.00 0.00 O ATOM 610 CB GLN A 82 -8.425 -12.818 -2.662 1.00 0.00 C ATOM 611 CG GLN A 82 -8.319 -14.341 -2.799 1.00 0.00 C ATOM 612 CD GLN A 82 -8.639 -14.750 -4.239 1.00 0.00 C ATOM 613 OE1 GLN A 82 -9.735 -14.533 -4.715 1.00 0.00 O ATOM 614 NE2 GLN A 82 -7.721 -15.340 -4.955 1.00 0.00 N ATOM 0 H GLN A 82 -9.674 -11.342 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.542 -13.226 -0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.471 -12.514 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.912 -12.335 -3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.316 -14.672 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.010 -14.827 -2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.801 -15.522 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.924 -15.619 -5.915 1.00 0.00 H new ATOM 623 N PHE A 83 -6.505 -10.317 -1.083 1.00 0.00 N ATOM 624 CA PHE A 83 -5.306 -9.460 -1.286 1.00 0.00 C ATOM 625 C PHE A 83 -4.230 -9.832 -0.258 1.00 0.00 C ATOM 626 O PHE A 83 -3.062 -9.553 -0.442 1.00 0.00 O ATOM 627 CB PHE A 83 -5.723 -7.993 -1.111 1.00 0.00 C ATOM 628 CG PHE A 83 -4.518 -7.120 -0.843 1.00 0.00 C ATOM 629 CD1 PHE A 83 -3.730 -6.644 -1.910 1.00 0.00 C ATOM 630 CD2 PHE A 83 -4.188 -6.783 0.481 1.00 0.00 C ATOM 631 CE1 PHE A 83 -2.613 -5.826 -1.643 1.00 0.00 C ATOM 632 CE2 PHE A 83 -3.073 -5.968 0.747 1.00 0.00 C ATOM 633 CZ PHE A 83 -2.285 -5.487 -0.316 1.00 0.00 C ATOM 0 H PHE A 83 -7.262 -9.883 -0.555 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.898 -9.609 -2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -6.236 -7.647 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.430 -7.907 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.981 -6.905 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.793 -7.151 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.007 -5.458 -2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.822 -5.711 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.430 -4.859 -0.114 1.00 0.00 H new ATOM 643 N ALA A 84 -4.614 -10.443 0.829 1.00 0.00 N ATOM 644 CA ALA A 84 -3.612 -10.810 1.873 1.00 0.00 C ATOM 645 C ALA A 84 -3.030 -12.195 1.594 1.00 0.00 C ATOM 646 O ALA A 84 -1.833 -12.378 1.605 1.00 0.00 O ATOM 647 CB ALA A 84 -4.292 -10.815 3.244 1.00 0.00 C ATOM 0 H ALA A 84 -5.577 -10.704 1.041 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.803 -10.079 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.564 -11.083 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.693 -9.824 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.104 -11.542 3.245 1.00 0.00 H new ATOM 653 N LYS A 85 -3.861 -13.176 1.369 1.00 0.00 N ATOM 654 CA LYS A 85 -3.341 -14.552 1.118 1.00 0.00 C ATOM 655 C LYS A 85 -2.896 -14.720 -0.340 1.00 0.00 C ATOM 656 O LYS A 85 -3.254 -15.679 -0.992 1.00 0.00 O ATOM 657 CB LYS A 85 -4.436 -15.569 1.436 1.00 0.00 C ATOM 658 CG LYS A 85 -5.687 -15.283 0.593 1.00 0.00 C ATOM 659 CD LYS A 85 -6.886 -16.038 1.177 1.00 0.00 C ATOM 660 CE LYS A 85 -6.496 -17.492 1.460 1.00 0.00 C ATOM 661 NZ LYS A 85 -7.725 -18.314 1.646 1.00 0.00 N ATOM 0 H LYS A 85 -4.877 -13.085 1.348 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.475 -14.716 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.075 -16.578 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.685 -15.526 2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.891 -14.212 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.520 -15.589 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.219 -15.556 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.723 -16.006 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.904 -17.887 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.873 -17.544 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.457 -19.300 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.273 -17.942 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.303 -18.274 0.783 1.00 0.00 H new ATOM 675 N GLU A 86 -2.105 -13.815 -0.857 1.00 0.00 N ATOM 676 CA GLU A 86 -1.642 -13.961 -2.272 1.00 0.00 C ATOM 677 C GLU A 86 -0.372 -13.121 -2.496 1.00 0.00 C ATOM 678 O GLU A 86 0.538 -13.540 -3.182 1.00 0.00 O ATOM 679 CB GLU A 86 -2.771 -13.494 -3.230 1.00 0.00 C ATOM 680 CG GLU A 86 -3.451 -14.698 -3.904 1.00 0.00 C ATOM 681 CD GLU A 86 -4.412 -14.200 -4.985 1.00 0.00 C ATOM 682 OE1 GLU A 86 -3.938 -13.847 -6.052 1.00 0.00 O ATOM 683 OE2 GLU A 86 -5.604 -14.181 -4.727 1.00 0.00 O ATOM 0 H GLU A 86 -1.762 -12.989 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.408 -15.006 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.510 -12.918 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.357 -12.832 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.700 -15.354 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.993 -15.285 -3.163 1.00 0.00 H new ATOM 690 N LEU A 87 -0.310 -11.940 -1.934 1.00 0.00 N ATOM 691 CA LEU A 87 0.894 -11.065 -2.124 1.00 0.00 C ATOM 692 C LEU A 87 1.755 -11.062 -0.857 1.00 0.00 C ATOM 693 O LEU A 87 2.943 -10.814 -0.910 1.00 0.00 O ATOM 694 CB LEU A 87 0.432 -9.637 -2.420 1.00 0.00 C ATOM 695 CG LEU A 87 -0.671 -9.661 -3.484 1.00 0.00 C ATOM 696 CD1 LEU A 87 -1.065 -8.226 -3.836 1.00 0.00 C ATOM 697 CD2 LEU A 87 -0.161 -10.374 -4.742 1.00 0.00 C ATOM 0 H LEU A 87 -1.043 -11.540 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 87 1.486 -11.450 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.061 -9.168 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.273 -9.037 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.538 -10.195 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.849 -8.239 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.431 -7.720 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.196 -7.695 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.948 -10.389 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.707 -9.844 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.121 -11.397 -4.492 1.00 0.00 H new ATOM 709 N LEU A 88 1.171 -11.312 0.284 1.00 0.00 N ATOM 710 CA LEU A 88 1.965 -11.298 1.549 1.00 0.00 C ATOM 711 C LEU A 88 2.745 -12.617 1.794 1.00 0.00 C ATOM 712 O LEU A 88 3.800 -12.570 2.396 1.00 0.00 O ATOM 713 CB LEU A 88 1.024 -11.026 2.728 1.00 0.00 C ATOM 714 CG LEU A 88 0.071 -9.877 2.370 1.00 0.00 C ATOM 715 CD1 LEU A 88 -0.857 -9.590 3.555 1.00 0.00 C ATOM 716 CD2 LEU A 88 0.882 -8.616 2.038 1.00 0.00 C ATOM 0 H LEU A 88 0.180 -11.525 0.396 1.00 0.00 H new ATOM 0 HA LEU A 88 2.710 -10.508 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.454 -11.924 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.602 -10.770 3.616 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.525 -10.162 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.533 -8.774 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.438 -10.483 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.262 -9.309 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.202 -7.803 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.482 -8.331 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.538 -8.818 1.191 1.00 0.00 H new ATOM 728 N PRO A 89 2.232 -13.759 1.365 1.00 0.00 N ATOM 729 CA PRO A 89 2.927 -15.042 1.602 1.00 0.00 C ATOM 730 C PRO A 89 4.208 -15.123 0.755 1.00 0.00 C ATOM 731 O PRO A 89 5.285 -15.359 1.264 1.00 0.00 O ATOM 732 CB PRO A 89 1.905 -16.130 1.187 1.00 0.00 C ATOM 733 CG PRO A 89 0.647 -15.398 0.637 1.00 0.00 C ATOM 734 CD PRO A 89 0.959 -13.885 0.633 1.00 0.00 C ATOM 0 HA PRO A 89 3.241 -15.162 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.330 -16.787 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.643 -16.756 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.411 -15.744 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.223 -15.609 1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.048 -13.503 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.166 -13.317 1.119 1.00 0.00 H new ATOM 742 N LEU A 90 4.093 -14.941 -0.533 1.00 0.00 N ATOM 743 CA LEU A 90 5.300 -15.018 -1.406 1.00 0.00 C ATOM 744 C LEU A 90 6.174 -13.779 -1.191 1.00 0.00 C ATOM 745 O LEU A 90 6.805 -13.289 -2.106 1.00 0.00 O ATOM 746 CB LEU A 90 4.866 -15.090 -2.872 1.00 0.00 C ATOM 747 CG LEU A 90 3.703 -16.075 -3.016 1.00 0.00 C ATOM 748 CD1 LEU A 90 3.353 -16.238 -4.496 1.00 0.00 C ATOM 749 CD2 LEU A 90 4.106 -17.435 -2.433 1.00 0.00 C ATOM 0 H LEU A 90 3.218 -14.743 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 90 5.872 -15.910 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.565 -14.102 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.703 -15.407 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 90 2.836 -15.693 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.525 -16.939 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.064 -15.272 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.220 -16.619 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.277 -18.135 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.974 -17.818 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.354 -17.319 -1.378 1.00 0.00 H new ATOM 761 N ASN A 91 6.218 -13.270 0.013 1.00 0.00 N ATOM 762 CA ASN A 91 7.054 -12.063 0.287 1.00 0.00 C ATOM 763 C ASN A 91 7.538 -12.094 1.739 1.00 0.00 C ATOM 764 O ASN A 91 8.691 -12.362 2.013 1.00 0.00 O ATOM 765 CB ASN A 91 6.220 -10.801 0.052 1.00 0.00 C ATOM 766 CG ASN A 91 6.063 -10.562 -1.452 1.00 0.00 C ATOM 767 OD1 ASN A 91 7.085 -10.751 -2.242 1.00 0.00 O flip ATOM 768 ND2 ASN A 91 4.998 -10.200 -1.914 1.00 0.00 N flip ATOM 0 H ASN A 91 5.711 -13.638 0.818 1.00 0.00 H new ATOM 0 HA ASN A 91 7.915 -12.059 -0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.240 -10.908 0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.702 -9.942 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.199 -10.052 -1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.904 -10.044 -2.918 1.00 0.00 H new ATOM 775 N TYR A 92 6.665 -11.817 2.674 1.00 0.00 N ATOM 776 CA TYR A 92 7.070 -11.821 4.115 1.00 0.00 C ATOM 777 C TYR A 92 6.731 -13.180 4.739 1.00 0.00 C ATOM 778 O TYR A 92 6.839 -13.370 5.935 1.00 0.00 O ATOM 779 CB TYR A 92 6.328 -10.694 4.851 1.00 0.00 C ATOM 780 CG TYR A 92 6.139 -9.520 3.913 1.00 0.00 C ATOM 781 CD1 TYR A 92 7.206 -9.089 3.097 1.00 0.00 C ATOM 782 CD2 TYR A 92 4.896 -8.861 3.848 1.00 0.00 C ATOM 783 CE1 TYR A 92 7.027 -8.002 2.221 1.00 0.00 C ATOM 784 CE2 TYR A 92 4.719 -7.774 2.970 1.00 0.00 C ATOM 785 CZ TYR A 92 5.784 -7.344 2.157 1.00 0.00 C ATOM 786 OH TYR A 92 5.611 -6.279 1.296 1.00 0.00 O ATOM 0 H TYR A 92 5.686 -11.587 2.502 1.00 0.00 H new ATOM 0 HA TYR A 92 8.144 -11.655 4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.361 -11.051 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.894 -10.384 5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.160 -9.593 3.144 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.078 -9.189 4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.844 -7.672 1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.765 -7.270 2.921 1.00 0.00 H new ATOM 0 HH TYR A 92 4.695 -5.940 1.375 1.00 0.00 H new ATOM 796 N LYS A 93 6.333 -14.126 3.935 1.00 0.00 N ATOM 797 CA LYS A 93 5.999 -15.480 4.466 1.00 0.00 C ATOM 798 C LYS A 93 4.997 -15.367 5.620 1.00 0.00 C ATOM 799 O LYS A 93 5.291 -15.727 6.743 1.00 0.00 O ATOM 800 CB LYS A 93 7.280 -16.159 4.967 1.00 0.00 C ATOM 801 CG LYS A 93 8.096 -16.677 3.777 1.00 0.00 C ATOM 802 CD LYS A 93 8.568 -15.498 2.916 1.00 0.00 C ATOM 803 CE LYS A 93 9.727 -15.944 2.022 1.00 0.00 C ATOM 804 NZ LYS A 93 10.059 -14.857 1.058 1.00 0.00 N ATOM 0 H LYS A 93 6.224 -14.020 2.926 1.00 0.00 H new ATOM 0 HA LYS A 93 5.553 -16.073 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.874 -15.452 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.028 -16.984 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.955 -17.245 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.490 -17.357 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.745 -15.130 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.885 -14.673 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.599 -16.183 2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.456 -16.852 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.733 -15.124 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.588 -13.977 1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.088 -14.710 1.042 1.00 0.00 H new ATOM 818 N HIS A 94 3.811 -14.891 5.352 1.00 0.00 N ATOM 819 CA HIS A 94 2.792 -14.780 6.435 1.00 0.00 C ATOM 820 C HIS A 94 1.433 -14.424 5.818 1.00 0.00 C ATOM 821 O HIS A 94 1.316 -14.230 4.625 1.00 0.00 O ATOM 822 CB HIS A 94 3.225 -13.714 7.459 1.00 0.00 C ATOM 823 CG HIS A 94 2.896 -12.328 6.968 1.00 0.00 C ATOM 824 ND1 HIS A 94 2.912 -11.768 5.716 1.00 0.00 N flip ATOM 825 CD2 HIS A 94 2.478 -11.323 7.826 1.00 0.00 C flip ATOM 826 CE1 HIS A 94 2.512 -10.437 5.794 1.00 0.00 C flip ATOM 827 NE2 HIS A 94 2.262 -10.221 7.088 1.00 0.00 N flip ATOM 0 H HIS A 94 3.504 -14.575 4.432 1.00 0.00 H new ATOM 0 HA HIS A 94 2.704 -15.734 6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.725 -13.895 8.411 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.297 -13.794 7.642 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.177 -12.253 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.349 -11.410 8.895 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.423 -9.730 4.982 1.00 0.00 H new ATOM 835 N ASN A 95 0.404 -14.341 6.620 1.00 0.00 N ATOM 836 CA ASN A 95 -0.945 -14.002 6.073 1.00 0.00 C ATOM 837 C ASN A 95 -1.758 -13.259 7.135 1.00 0.00 C ATOM 838 O ASN A 95 -2.154 -13.824 8.136 1.00 0.00 O ATOM 839 CB ASN A 95 -1.674 -15.289 5.684 1.00 0.00 C ATOM 840 CG ASN A 95 -0.908 -15.990 4.559 1.00 0.00 C ATOM 841 OD1 ASN A 95 -1.337 -15.985 3.423 1.00 0.00 O ATOM 842 ND2 ASN A 95 0.216 -16.596 4.830 1.00 0.00 N ATOM 0 H ASN A 95 0.438 -14.493 7.628 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.830 -13.367 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.756 -15.948 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -2.689 -15.061 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.734 -17.065 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.576 -16.600 5.784 1.00 0.00 H new ATOM 849 N ASN A 96 -2.010 -11.997 6.922 1.00 0.00 N ATOM 850 CA ASN A 96 -2.798 -11.212 7.914 1.00 0.00 C ATOM 851 C ASN A 96 -3.013 -9.795 7.379 1.00 0.00 C ATOM 852 O ASN A 96 -2.093 -9.152 6.912 1.00 0.00 O ATOM 853 CB ASN A 96 -2.039 -11.153 9.240 1.00 0.00 C ATOM 854 CG ASN A 96 -0.565 -10.843 8.971 1.00 0.00 C ATOM 855 OD1 ASN A 96 0.343 -11.281 9.800 1.00 0.00 O flip ATOM 856 ND2 ASN A 96 -0.236 -10.195 7.997 1.00 0.00 N flip ATOM 0 H ASN A 96 -1.703 -11.474 6.102 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.764 -11.690 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.471 -10.387 9.885 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.132 -12.103 9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.945 -9.853 7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.749 -9.994 7.828 1.00 0.00 H new ATOM 863 N MET A 97 -4.224 -9.304 7.433 1.00 0.00 N ATOM 864 CA MET A 97 -4.507 -7.929 6.917 1.00 0.00 C ATOM 865 C MET A 97 -4.420 -6.913 8.058 1.00 0.00 C ATOM 866 O MET A 97 -3.495 -6.127 8.131 1.00 0.00 O ATOM 867 CB MET A 97 -5.916 -7.896 6.323 1.00 0.00 C ATOM 868 CG MET A 97 -6.111 -6.601 5.528 1.00 0.00 C ATOM 869 SD MET A 97 -5.326 -6.767 3.906 1.00 0.00 S ATOM 870 CE MET A 97 -5.217 -5.002 3.524 1.00 0.00 C ATOM 0 H MET A 97 -5.032 -9.797 7.813 1.00 0.00 H new ATOM 0 HA MET A 97 -3.772 -7.675 6.153 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.068 -8.759 5.674 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.658 -7.961 7.119 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.174 -6.390 5.410 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.678 -5.760 6.070 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.991 -4.872 2.466 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.168 -4.521 3.754 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.427 -4.548 4.122 1.00 0.00 H new ATOM 880 N ALA A 98 -5.383 -6.915 8.941 1.00 0.00 N ATOM 881 CA ALA A 98 -5.372 -5.941 10.075 1.00 0.00 C ATOM 882 C ALA A 98 -3.971 -5.863 10.687 1.00 0.00 C ATOM 883 O ALA A 98 -3.579 -4.848 11.226 1.00 0.00 O ATOM 884 CB ALA A 98 -6.369 -6.394 11.143 1.00 0.00 C ATOM 0 H ALA A 98 -6.180 -7.551 8.927 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.653 -4.956 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.362 -5.685 11.971 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.369 -6.439 10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.087 -7.381 11.509 1.00 0.00 H new ATOM 890 N SER A 99 -3.207 -6.917 10.598 1.00 0.00 N ATOM 891 CA SER A 99 -1.833 -6.878 11.168 1.00 0.00 C ATOM 892 C SER A 99 -0.943 -6.072 10.224 1.00 0.00 C ATOM 893 O SER A 99 -0.198 -5.207 10.638 1.00 0.00 O ATOM 894 CB SER A 99 -1.289 -8.302 11.308 1.00 0.00 C ATOM 895 OG SER A 99 -0.202 -8.300 12.224 1.00 0.00 O ATOM 0 H SER A 99 -3.473 -7.798 10.158 1.00 0.00 H new ATOM 0 HA SER A 99 -1.849 -6.413 12.154 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.075 -8.971 11.659 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.962 -8.676 10.338 1.00 0.00 H new ATOM 0 HG SER A 99 0.148 -9.210 12.318 1.00 0.00 H new ATOM 901 N PHE A 100 -1.032 -6.341 8.950 1.00 0.00 N ATOM 902 CA PHE A 100 -0.209 -5.578 7.975 1.00 0.00 C ATOM 903 C PHE A 100 -0.574 -4.098 8.090 1.00 0.00 C ATOM 904 O PHE A 100 0.265 -3.257 8.343 1.00 0.00 O ATOM 905 CB PHE A 100 -0.505 -6.076 6.556 1.00 0.00 C ATOM 906 CG PHE A 100 0.156 -5.156 5.552 1.00 0.00 C ATOM 907 CD1 PHE A 100 1.555 -5.005 5.558 1.00 0.00 C ATOM 908 CD2 PHE A 100 -0.625 -4.436 4.624 1.00 0.00 C ATOM 909 CE1 PHE A 100 2.174 -4.138 4.641 1.00 0.00 C ATOM 910 CE2 PHE A 100 -0.004 -3.569 3.703 1.00 0.00 C ATOM 911 CZ PHE A 100 1.398 -3.420 3.714 1.00 0.00 C ATOM 0 H PHE A 100 -1.638 -7.055 8.545 1.00 0.00 H new ATOM 0 HA PHE A 100 0.851 -5.718 8.185 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.135 -7.094 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.581 -6.105 6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.154 -5.556 6.268 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.699 -4.549 4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.248 -4.023 4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.601 -3.020 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.876 -2.754 3.010 1.00 0.00 H new ATOM 921 N ILE A 101 -1.825 -3.781 7.911 1.00 0.00 N ATOM 922 CA ILE A 101 -2.259 -2.362 8.016 1.00 0.00 C ATOM 923 C ILE A 101 -1.736 -1.782 9.329 1.00 0.00 C ATOM 924 O ILE A 101 -1.364 -0.629 9.404 1.00 0.00 O ATOM 925 CB ILE A 101 -3.789 -2.307 7.970 1.00 0.00 C ATOM 926 CG1 ILE A 101 -4.250 -2.930 6.645 1.00 0.00 C ATOM 927 CG2 ILE A 101 -4.273 -0.851 8.056 1.00 0.00 C ATOM 928 CD1 ILE A 101 -5.748 -2.700 6.440 1.00 0.00 C ATOM 0 H ILE A 101 -2.568 -4.446 7.696 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.861 -1.775 7.188 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.206 -2.856 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.692 -2.493 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.036 -3.999 6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.362 -0.827 8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.929 -0.408 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.871 -0.284 7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.059 -3.148 5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.302 -3.159 7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.952 -1.630 6.418 1.00 0.00 H new ATOM 940 N ARG A 102 -1.689 -2.574 10.365 1.00 0.00 N ATOM 941 CA ARG A 102 -1.168 -2.058 11.660 1.00 0.00 C ATOM 942 C ARG A 102 0.196 -1.420 11.405 1.00 0.00 C ATOM 943 O ARG A 102 0.502 -0.356 11.902 1.00 0.00 O ATOM 944 CB ARG A 102 -1.027 -3.220 12.659 1.00 0.00 C ATOM 945 CG ARG A 102 -1.032 -2.686 14.106 1.00 0.00 C ATOM 946 CD ARG A 102 -2.472 -2.572 14.619 1.00 0.00 C ATOM 947 NE ARG A 102 -2.486 -1.785 15.885 1.00 0.00 N ATOM 948 CZ ARG A 102 -3.611 -1.313 16.348 1.00 0.00 C ATOM 949 NH1 ARG A 102 -4.724 -1.528 15.701 1.00 0.00 N ATOM 950 NH2 ARG A 102 -3.624 -0.626 17.456 1.00 0.00 N ATOM 0 H ARG A 102 -1.987 -3.550 10.370 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.853 -1.320 12.078 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.845 -3.927 12.522 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.101 -3.763 12.468 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.460 -3.353 14.750 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.546 -1.711 14.144 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.099 -2.088 13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.888 -3.565 14.790 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.616 -1.615 16.390 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.714 -2.065 14.834 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.604 -1.159 16.063 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.754 -0.457 17.962 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.504 -0.257 17.817 1.00 0.00 H new ATOM 964 N GLN A 103 1.010 -2.063 10.616 1.00 0.00 N ATOM 965 CA GLN A 103 2.348 -1.501 10.307 1.00 0.00 C ATOM 966 C GLN A 103 2.176 -0.200 9.521 1.00 0.00 C ATOM 967 O GLN A 103 2.870 0.771 9.751 1.00 0.00 O ATOM 968 CB GLN A 103 3.139 -2.516 9.477 1.00 0.00 C ATOM 969 CG GLN A 103 2.885 -3.925 10.017 1.00 0.00 C ATOM 970 CD GLN A 103 3.931 -4.887 9.448 1.00 0.00 C ATOM 971 OE1 GLN A 103 3.578 -5.751 8.536 1.00 0.00 O flip ATOM 972 NE2 GLN A 103 5.082 -4.852 9.836 1.00 0.00 N flip ATOM 0 H GLN A 103 0.803 -2.957 10.171 1.00 0.00 H new ATOM 0 HA GLN A 103 2.890 -1.293 11.230 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.841 -2.457 8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.203 -2.285 9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.932 -3.922 11.106 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.884 -4.256 9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.360 -4.177 10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.771 -5.497 9.449 1.00 0.00 H new ATOM 981 N LEU A 104 1.250 -0.164 8.597 1.00 0.00 N ATOM 982 CA LEU A 104 1.039 1.085 7.815 1.00 0.00 C ATOM 983 C LEU A 104 0.758 2.232 8.787 1.00 0.00 C ATOM 984 O LEU A 104 0.900 3.390 8.451 1.00 0.00 O ATOM 985 CB LEU A 104 -0.147 0.920 6.852 1.00 0.00 C ATOM 986 CG LEU A 104 0.188 -0.068 5.718 1.00 0.00 C ATOM 987 CD1 LEU A 104 -1.013 -0.153 4.770 1.00 0.00 C ATOM 988 CD2 LEU A 104 1.429 0.406 4.927 1.00 0.00 C ATOM 0 H LEU A 104 0.636 -0.941 8.353 1.00 0.00 H new ATOM 0 HA LEU A 104 1.932 1.301 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.018 0.564 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.411 1.889 6.428 1.00 0.00 H new ATOM 0 HG LEU A 104 0.405 -1.045 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.790 -0.849 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.887 -0.503 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.218 0.833 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.647 -0.306 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.231 1.386 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.285 0.473 5.599 1.00 0.00 H new ATOM 1000 N ASN A 105 0.368 1.920 9.996 1.00 0.00 N ATOM 1001 CA ASN A 105 0.087 2.998 10.992 1.00 0.00 C ATOM 1002 C ASN A 105 1.366 3.320 11.770 1.00 0.00 C ATOM 1003 O ASN A 105 1.513 4.396 12.316 1.00 0.00 O ATOM 1004 CB ASN A 105 -0.994 2.523 11.964 1.00 0.00 C ATOM 1005 CG ASN A 105 -2.291 2.257 11.198 1.00 0.00 C ATOM 1006 OD1 ASN A 105 -2.392 2.642 9.955 1.00 0.00 O flip ATOM 1007 ND2 ASN A 105 -3.224 1.693 11.736 1.00 0.00 N flip ATOM 0 H ASN A 105 0.232 0.968 10.336 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.257 3.892 10.473 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.667 1.616 12.472 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.162 3.276 12.733 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -3.146 1.392 12.707 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.085 1.521 11.216 1.00 0.00 H new ATOM 1014 N MET A 106 2.293 2.400 11.827 1.00 0.00 N ATOM 1015 CA MET A 106 3.560 2.665 12.574 1.00 0.00 C ATOM 1016 C MET A 106 4.508 3.487 11.691 1.00 0.00 C ATOM 1017 O MET A 106 5.284 4.284 12.180 1.00 0.00 O ATOM 1018 CB MET A 106 4.233 1.327 12.951 1.00 0.00 C ATOM 1019 CG MET A 106 3.700 0.798 14.294 1.00 0.00 C ATOM 1020 SD MET A 106 2.086 0.020 14.044 1.00 0.00 S ATOM 1021 CE MET A 106 2.662 -1.693 13.914 1.00 0.00 C ATOM 0 H MET A 106 2.229 1.480 11.391 1.00 0.00 H new ATOM 0 HA MET A 106 3.335 3.221 13.484 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.050 0.591 12.168 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.313 1.464 13.013 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.401 0.077 14.716 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.614 1.616 15.010 1.00 0.00 H new ATOM 0 HE1 MET A 106 1.910 -2.291 13.399 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.596 -1.721 13.352 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.827 -2.098 14.912 1.00 0.00 H new ATOM 1031 N TYR A 107 4.461 3.300 10.399 1.00 0.00 N ATOM 1032 CA TYR A 107 5.370 4.075 9.511 1.00 0.00 C ATOM 1033 C TYR A 107 4.808 5.487 9.316 1.00 0.00 C ATOM 1034 O TYR A 107 5.547 6.452 9.313 1.00 0.00 O ATOM 1035 CB TYR A 107 5.495 3.371 8.158 1.00 0.00 C ATOM 1036 CG TYR A 107 5.741 1.881 8.344 1.00 0.00 C ATOM 1037 CD1 TYR A 107 6.748 1.422 9.221 1.00 0.00 C ATOM 1038 CD2 TYR A 107 4.964 0.947 7.625 1.00 0.00 C ATOM 1039 CE1 TYR A 107 6.970 0.040 9.377 1.00 0.00 C ATOM 1040 CE2 TYR A 107 5.189 -0.433 7.780 1.00 0.00 C ATOM 1041 CZ TYR A 107 6.191 -0.886 8.659 1.00 0.00 C ATOM 1042 OH TYR A 107 6.416 -2.239 8.811 1.00 0.00 O ATOM 0 H TYR A 107 3.836 2.648 9.924 1.00 0.00 H new ATOM 0 HA TYR A 107 6.357 4.140 9.968 1.00 0.00 H new ATOM 0 HB2 TYR A 107 4.585 3.524 7.578 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.314 3.811 7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.348 2.131 9.772 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.193 1.294 6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.740 -0.310 10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 107 4.594 -1.144 7.226 1.00 0.00 H new ATOM 0 HH TYR A 107 6.679 -2.626 7.950 1.00 0.00 H new ATOM 1052 N GLY A 108 3.506 5.623 9.175 1.00 0.00 N ATOM 1053 CA GLY A 108 2.894 6.986 9.007 1.00 0.00 C ATOM 1054 C GLY A 108 2.146 7.092 7.674 1.00 0.00 C ATOM 1055 O GLY A 108 2.349 8.021 6.917 1.00 0.00 O ATOM 0 H GLY A 108 2.841 4.849 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.207 7.184 9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.673 7.747 9.052 1.00 0.00 H new ATOM 1059 N PHE A 109 1.264 6.169 7.386 1.00 0.00 N ATOM 1060 CA PHE A 109 0.485 6.245 6.112 1.00 0.00 C ATOM 1061 C PHE A 109 -0.853 6.931 6.408 1.00 0.00 C ATOM 1062 O PHE A 109 -1.188 7.179 7.549 1.00 0.00 O ATOM 1063 CB PHE A 109 0.238 4.828 5.578 1.00 0.00 C ATOM 1064 CG PHE A 109 1.458 4.340 4.827 1.00 0.00 C ATOM 1065 CD1 PHE A 109 2.545 3.791 5.532 1.00 0.00 C ATOM 1066 CD2 PHE A 109 1.508 4.436 3.423 1.00 0.00 C ATOM 1067 CE1 PHE A 109 3.683 3.337 4.832 1.00 0.00 C ATOM 1068 CE2 PHE A 109 2.647 3.982 2.728 1.00 0.00 C ATOM 1069 CZ PHE A 109 3.731 3.433 3.433 1.00 0.00 C ATOM 0 H PHE A 109 1.049 5.366 7.977 1.00 0.00 H new ATOM 0 HA PHE A 109 1.037 6.812 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.015 4.153 6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.631 4.825 4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.508 3.717 6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.675 4.857 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.517 2.916 5.373 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.686 4.056 1.651 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.602 3.085 2.898 1.00 0.00 H new ATOM 1079 N HIS A 110 -1.624 7.248 5.399 1.00 0.00 N ATOM 1080 CA HIS A 110 -2.934 7.925 5.651 1.00 0.00 C ATOM 1081 C HIS A 110 -3.939 7.562 4.554 1.00 0.00 C ATOM 1082 O HIS A 110 -4.044 8.234 3.547 1.00 0.00 O ATOM 1083 CB HIS A 110 -2.726 9.441 5.664 1.00 0.00 C ATOM 1084 CG HIS A 110 -3.979 10.113 6.153 1.00 0.00 C ATOM 1085 ND1 HIS A 110 -4.439 9.963 7.453 1.00 0.00 N ATOM 1086 CD2 HIS A 110 -4.879 10.943 5.531 1.00 0.00 C ATOM 1087 CE1 HIS A 110 -5.569 10.686 7.569 1.00 0.00 C ATOM 1088 NE2 HIS A 110 -5.882 11.303 6.427 1.00 0.00 N ATOM 0 H HIS A 110 -1.406 7.069 4.419 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.324 7.594 6.613 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.886 9.698 6.310 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.478 9.794 4.663 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.818 11.267 4.503 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.151 10.758 8.476 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.684 11.908 6.249 1.00 0.00 H new ATOM 1096 N LYS A 111 -4.693 6.512 4.747 1.00 0.00 N ATOM 1097 CA LYS A 111 -5.701 6.123 3.724 1.00 0.00 C ATOM 1098 C LYS A 111 -6.842 7.144 3.731 1.00 0.00 C ATOM 1099 O LYS A 111 -7.177 7.704 4.757 1.00 0.00 O ATOM 1100 CB LYS A 111 -6.247 4.721 4.027 1.00 0.00 C ATOM 1101 CG LYS A 111 -6.729 4.629 5.487 1.00 0.00 C ATOM 1102 CD LYS A 111 -6.835 3.159 5.923 1.00 0.00 C ATOM 1103 CE LYS A 111 -8.078 2.523 5.303 1.00 0.00 C ATOM 1104 NZ LYS A 111 -8.183 1.103 5.743 1.00 0.00 N ATOM 0 H LYS A 111 -4.653 5.909 5.569 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.233 6.107 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.071 4.492 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.472 3.976 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.036 5.160 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.699 5.116 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.944 2.613 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.887 3.095 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.969 3.074 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.022 2.575 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.029 0.670 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.337 0.581 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.256 1.065 6.780 1.00 0.00 H new ATOM 1118 N ILE A 112 -7.435 7.402 2.593 1.00 0.00 N ATOM 1119 CA ILE A 112 -8.544 8.404 2.534 1.00 0.00 C ATOM 1120 C ILE A 112 -9.879 7.724 2.861 1.00 0.00 C ATOM 1121 O ILE A 112 -10.881 7.970 2.219 1.00 0.00 O ATOM 1122 CB ILE A 112 -8.626 9.031 1.119 1.00 0.00 C ATOM 1123 CG1 ILE A 112 -7.241 9.076 0.446 1.00 0.00 C ATOM 1124 CG2 ILE A 112 -9.192 10.452 1.210 1.00 0.00 C ATOM 1125 CD1 ILE A 112 -6.294 10.021 1.190 1.00 0.00 C ATOM 0 H ILE A 112 -7.200 6.963 1.703 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.343 9.188 3.264 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.284 8.407 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.813 8.074 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.347 9.403 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -9.247 10.886 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -10.190 10.419 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.542 11.063 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.325 10.032 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.712 11.028 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.170 9.678 2.217 1.00 0.00 H new ATOM 1137 N THR A 113 -9.907 6.877 3.848 1.00 0.00 N ATOM 1138 CA THR A 113 -11.187 6.198 4.201 1.00 0.00 C ATOM 1139 C THR A 113 -11.109 5.649 5.628 1.00 0.00 C ATOM 1140 O THR A 113 -10.079 5.179 6.070 1.00 0.00 O ATOM 1141 CB THR A 113 -11.451 5.054 3.213 1.00 0.00 C ATOM 1142 OG1 THR A 113 -12.777 4.578 3.390 1.00 0.00 O ATOM 1143 CG2 THR A 113 -10.462 3.906 3.448 1.00 0.00 C ATOM 0 H THR A 113 -9.105 6.624 4.425 1.00 0.00 H new ATOM 0 HA THR A 113 -12.004 6.917 4.144 1.00 0.00 H new ATOM 0 HB THR A 113 -11.322 5.427 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.780 3.858 4.054 1.00 0.00 H new ATOM 0 HG21 THR A 113 -10.662 3.102 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.444 4.268 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.576 3.530 4.465 1.00 0.00 H new ATOM 1151 N SER A 114 -12.194 5.707 6.353 1.00 0.00 N ATOM 1152 CA SER A 114 -12.190 5.191 7.751 1.00 0.00 C ATOM 1153 C SER A 114 -13.615 5.226 8.308 1.00 0.00 C ATOM 1154 O SER A 114 -14.491 5.846 7.739 1.00 0.00 O ATOM 1155 CB SER A 114 -11.282 6.066 8.615 1.00 0.00 C ATOM 1156 OG SER A 114 -11.559 7.435 8.351 1.00 0.00 O ATOM 0 H SER A 114 -13.084 6.090 6.036 1.00 0.00 H new ATOM 0 HA SER A 114 -11.820 4.166 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.444 5.847 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.236 5.847 8.401 1.00 0.00 H new ATOM 0 HG SER A 114 -10.979 7.999 8.905 1.00 0.00 H new ATOM 1162 N ILE A 115 -13.841 4.558 9.416 1.00 0.00 N ATOM 1163 CA ILE A 115 -15.202 4.525 10.048 1.00 0.00 C ATOM 1164 C ILE A 115 -16.292 4.470 8.961 1.00 0.00 C ATOM 1165 O ILE A 115 -17.414 4.886 9.160 1.00 0.00 O ATOM 1166 CB ILE A 115 -15.361 5.756 10.976 1.00 0.00 C ATOM 1167 CG1 ILE A 115 -16.548 5.567 11.943 1.00 0.00 C ATOM 1168 CG2 ILE A 115 -15.567 7.048 10.170 1.00 0.00 C ATOM 1169 CD1 ILE A 115 -16.284 4.398 12.913 1.00 0.00 C ATOM 0 H ILE A 115 -13.129 4.026 9.917 1.00 0.00 H new ATOM 0 HA ILE A 115 -15.313 3.627 10.655 1.00 0.00 H new ATOM 0 HB ILE A 115 -14.438 5.844 11.548 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -16.712 6.484 12.508 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -17.458 5.376 11.375 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -15.675 7.890 10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -14.706 7.214 9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -16.467 6.958 9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -17.134 4.284 13.585 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -16.144 3.478 12.345 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -15.386 4.604 13.496 1.00 0.00 H new ATOM 1181 N ASP A 116 -15.955 3.943 7.810 1.00 0.00 N ATOM 1182 CA ASP A 116 -16.945 3.838 6.691 1.00 0.00 C ATOM 1183 C ASP A 116 -17.800 5.108 6.612 1.00 0.00 C ATOM 1184 O ASP A 116 -18.881 5.176 7.161 1.00 0.00 O ATOM 1185 CB ASP A 116 -17.850 2.621 6.915 1.00 0.00 C ATOM 1186 CG ASP A 116 -18.636 2.789 8.215 1.00 0.00 C ATOM 1187 OD1 ASP A 116 -18.083 2.493 9.262 1.00 0.00 O ATOM 1188 OD2 ASP A 116 -19.779 3.212 8.143 1.00 0.00 O ATOM 0 H ASP A 116 -15.027 3.577 7.595 1.00 0.00 H new ATOM 0 HA ASP A 116 -16.402 3.721 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -18.537 2.509 6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -17.249 1.713 6.958 1.00 0.00 H new ATOM 1193 N ASN A 117 -17.321 6.115 5.931 1.00 0.00 N ATOM 1194 CA ASN A 117 -18.106 7.377 5.816 1.00 0.00 C ATOM 1195 C ASN A 117 -19.151 7.229 4.713 1.00 0.00 C ATOM 1196 O ASN A 117 -19.469 8.170 4.014 1.00 0.00 O ATOM 1197 CB ASN A 117 -17.165 8.536 5.479 1.00 0.00 C ATOM 1198 CG ASN A 117 -17.886 9.866 5.708 1.00 0.00 C ATOM 1199 OD1 ASN A 117 -17.544 10.613 6.721 1.00 0.00 O flip ATOM 1200 ND2 ASN A 117 -18.770 10.227 4.957 1.00 0.00 N flip ATOM 0 H ASN A 117 -16.421 6.118 5.450 1.00 0.00 H new ATOM 0 HA ASN A 117 -18.606 7.581 6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -16.271 8.484 6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -16.838 8.462 4.442 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -19.037 9.642 4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -19.245 11.115 5.118 1.00 0.00 H new ATOM 1207 N GLY A 118 -19.692 6.052 4.554 1.00 0.00 N ATOM 1208 CA GLY A 118 -20.722 5.845 3.499 1.00 0.00 C ATOM 1209 C GLY A 118 -20.742 4.372 3.083 1.00 0.00 C ATOM 1210 O GLY A 118 -19.946 3.934 2.277 1.00 0.00 O ATOM 0 H GLY A 118 -19.465 5.226 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -21.703 6.142 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.505 6.474 2.636 1.00 0.00 H new ATOM 1214 N GLY A 119 -21.648 3.606 3.625 1.00 0.00 N ATOM 1215 CA GLY A 119 -21.722 2.163 3.259 1.00 0.00 C ATOM 1216 C GLY A 119 -20.383 1.486 3.559 1.00 0.00 C ATOM 1217 O GLY A 119 -19.422 2.127 3.934 1.00 0.00 O ATOM 0 H GLY A 119 -22.341 3.917 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -22.520 1.676 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -21.965 2.058 2.202 1.00 0.00 H new ATOM 1221 N LEU A 120 -20.313 0.193 3.395 1.00 0.00 N ATOM 1222 CA LEU A 120 -19.037 -0.528 3.670 1.00 0.00 C ATOM 1223 C LEU A 120 -18.006 -0.161 2.601 1.00 0.00 C ATOM 1224 O LEU A 120 -18.348 0.173 1.483 1.00 0.00 O ATOM 1225 CB LEU A 120 -19.284 -2.040 3.638 1.00 0.00 C ATOM 1226 CG LEU A 120 -20.507 -2.389 4.494 1.00 0.00 C ATOM 1227 CD1 LEU A 120 -20.800 -3.887 4.373 1.00 0.00 C ATOM 1228 CD2 LEU A 120 -20.229 -2.039 5.962 1.00 0.00 C ATOM 0 H LEU A 120 -21.085 -0.396 3.082 1.00 0.00 H new ATOM 0 HA LEU A 120 -18.664 -0.242 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -19.442 -2.369 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -18.406 -2.568 4.010 1.00 0.00 H new ATOM 0 HG LEU A 120 -21.367 -1.818 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -21.669 -4.138 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -21.002 -4.135 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -19.938 -4.456 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -21.101 -2.289 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -19.368 -2.607 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -20.021 -0.973 6.049 1.00 0.00 H new ATOM 1240 N ARG A 121 -16.743 -0.216 2.936 1.00 0.00 N ATOM 1241 CA ARG A 121 -15.683 0.134 1.942 1.00 0.00 C ATOM 1242 C ARG A 121 -15.200 -1.139 1.240 1.00 0.00 C ATOM 1243 O ARG A 121 -14.912 -2.137 1.870 1.00 0.00 O ATOM 1244 CB ARG A 121 -14.500 0.792 2.664 1.00 0.00 C ATOM 1245 CG ARG A 121 -14.977 2.029 3.444 1.00 0.00 C ATOM 1246 CD ARG A 121 -15.120 3.232 2.502 1.00 0.00 C ATOM 1247 NE ARG A 121 -15.408 4.454 3.304 1.00 0.00 N ATOM 1248 CZ ARG A 121 -15.276 5.636 2.766 1.00 0.00 C ATOM 1249 NH1 ARG A 121 -14.887 5.749 1.526 1.00 0.00 N ATOM 1250 NH2 ARG A 121 -15.533 6.704 3.469 1.00 0.00 N ATOM 0 H ARG A 121 -16.399 -0.489 3.857 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.093 0.825 1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -14.038 0.078 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -13.738 1.081 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -15.933 1.818 3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -14.267 2.263 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -14.205 3.368 1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -15.923 3.055 1.787 1.00 0.00 H new ATOM 0 HE ARG A 121 -15.709 4.367 4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -14.686 4.914 0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -14.784 6.673 1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.837 6.615 4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -15.430 7.628 3.049 1.00 0.00 H new ATOM 1264 N PHE A 122 -15.110 -1.108 -0.063 1.00 0.00 N ATOM 1265 CA PHE A 122 -14.645 -2.309 -0.813 1.00 0.00 C ATOM 1266 C PHE A 122 -14.415 -1.926 -2.277 1.00 0.00 C ATOM 1267 O PHE A 122 -13.990 -0.830 -2.579 1.00 0.00 O ATOM 1268 CB PHE A 122 -15.708 -3.410 -0.727 1.00 0.00 C ATOM 1269 CG PHE A 122 -16.962 -2.966 -1.449 1.00 0.00 C ATOM 1270 CD1 PHE A 122 -17.768 -1.949 -0.900 1.00 0.00 C ATOM 1271 CD2 PHE A 122 -17.328 -3.570 -2.669 1.00 0.00 C ATOM 1272 CE1 PHE A 122 -18.935 -1.537 -1.570 1.00 0.00 C ATOM 1273 CE2 PHE A 122 -18.496 -3.157 -3.338 1.00 0.00 C ATOM 1274 CZ PHE A 122 -19.299 -2.141 -2.789 1.00 0.00 C ATOM 0 H PHE A 122 -15.339 -0.300 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 122 -13.714 -2.677 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -15.328 -4.331 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -15.936 -3.628 0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -17.490 -1.486 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -16.712 -4.350 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -19.552 -0.757 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -18.775 -3.620 -4.273 1.00 0.00 H new ATOM 0 HZ PHE A 122 -20.195 -1.824 -3.302 1.00 0.00 H new ATOM 1284 N ASP A 123 -14.695 -2.814 -3.191 1.00 0.00 N ATOM 1285 CA ASP A 123 -14.496 -2.481 -4.632 1.00 0.00 C ATOM 1286 C ASP A 123 -15.415 -1.314 -5.001 1.00 0.00 C ATOM 1287 O ASP A 123 -16.519 -1.515 -5.455 1.00 0.00 O ATOM 1288 CB ASP A 123 -14.844 -3.699 -5.492 1.00 0.00 C ATOM 1289 CG ASP A 123 -14.198 -4.950 -4.891 1.00 0.00 C ATOM 1290 OD1 ASP A 123 -13.066 -4.851 -4.447 1.00 0.00 O ATOM 1291 OD2 ASP A 123 -14.845 -5.982 -4.886 1.00 0.00 O ATOM 0 H ASP A 123 -15.051 -3.751 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 123 -13.457 -2.204 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -15.926 -3.824 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.492 -3.549 -6.513 1.00 0.00 H new ATOM 1296 N ARG A 124 -14.959 -0.103 -4.783 1.00 0.00 N ATOM 1297 CA ARG A 124 -15.768 1.124 -5.082 1.00 0.00 C ATOM 1298 C ARG A 124 -15.206 2.222 -4.191 1.00 0.00 C ATOM 1299 O ARG A 124 -15.328 3.401 -4.454 1.00 0.00 O ATOM 1300 CB ARG A 124 -17.263 0.897 -4.742 1.00 0.00 C ATOM 1301 CG ARG A 124 -18.067 0.517 -6.013 1.00 0.00 C ATOM 1302 CD ARG A 124 -18.767 1.752 -6.600 1.00 0.00 C ATOM 1303 NE ARG A 124 -19.621 2.415 -5.556 1.00 0.00 N ATOM 1304 CZ ARG A 124 -20.579 1.774 -4.937 1.00 0.00 C ATOM 1305 NH1 ARG A 124 -20.946 0.586 -5.329 1.00 0.00 N ATOM 1306 NH2 ARG A 124 -21.210 2.354 -3.953 1.00 0.00 N ATOM 0 H ARG A 124 -14.034 0.091 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 124 -15.709 1.380 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -17.355 0.106 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -17.681 1.801 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -17.398 0.084 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -18.807 -0.245 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -18.024 2.457 -6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -19.383 1.459 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 124 -19.449 3.393 -5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -20.485 0.147 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -21.694 0.096 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -20.955 3.301 -3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -21.958 1.861 -3.466 1.00 0.00 H new ATOM 1320 N ASP A 125 -14.573 1.805 -3.138 1.00 0.00 N ATOM 1321 CA ASP A 125 -13.951 2.756 -2.178 1.00 0.00 C ATOM 1322 C ASP A 125 -12.606 2.177 -1.766 1.00 0.00 C ATOM 1323 O ASP A 125 -12.109 2.411 -0.682 1.00 0.00 O ATOM 1324 CB ASP A 125 -14.847 2.924 -0.951 1.00 0.00 C ATOM 1325 CG ASP A 125 -16.281 3.211 -1.401 1.00 0.00 C ATOM 1326 OD1 ASP A 125 -16.582 4.367 -1.651 1.00 0.00 O ATOM 1327 OD2 ASP A 125 -17.053 2.271 -1.488 1.00 0.00 O ATOM 0 H ASP A 125 -14.456 0.821 -2.894 1.00 0.00 H new ATOM 0 HA ASP A 125 -13.822 3.735 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -14.820 2.021 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.480 3.740 -0.328 1.00 0.00 H new ATOM 1332 N GLU A 126 -12.033 1.414 -2.654 1.00 0.00 N ATOM 1333 CA GLU A 126 -10.712 0.767 -2.416 1.00 0.00 C ATOM 1334 C GLU A 126 -9.805 1.673 -1.564 1.00 0.00 C ATOM 1335 O GLU A 126 -9.681 2.856 -1.809 1.00 0.00 O ATOM 1336 CB GLU A 126 -10.085 0.477 -3.778 1.00 0.00 C ATOM 1337 CG GLU A 126 -10.192 1.709 -4.688 1.00 0.00 C ATOM 1338 CD GLU A 126 -11.610 1.820 -5.254 1.00 0.00 C ATOM 1339 OE1 GLU A 126 -11.974 0.979 -6.058 1.00 0.00 O ATOM 1340 OE2 GLU A 126 -12.309 2.745 -4.873 1.00 0.00 O ATOM 0 H GLU A 126 -12.440 1.205 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 126 -10.838 -0.162 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.038 0.199 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.586 -0.372 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.945 2.609 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.471 1.634 -5.502 1.00 0.00 H new ATOM 1347 N ILE A 127 -9.201 1.122 -0.538 1.00 0.00 N ATOM 1348 CA ILE A 127 -8.336 1.941 0.363 1.00 0.00 C ATOM 1349 C ILE A 127 -7.201 2.601 -0.425 1.00 0.00 C ATOM 1350 O ILE A 127 -6.334 1.954 -0.970 1.00 0.00 O ATOM 1351 CB ILE A 127 -7.784 1.050 1.487 1.00 0.00 C ATOM 1352 CG1 ILE A 127 -6.839 -0.017 0.917 1.00 0.00 C ATOM 1353 CG2 ILE A 127 -8.948 0.361 2.206 1.00 0.00 C ATOM 1354 CD1 ILE A 127 -6.543 -1.071 1.991 1.00 0.00 C ATOM 0 H ILE A 127 -9.272 0.136 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 127 -8.933 2.739 0.805 1.00 0.00 H new ATOM 0 HB ILE A 127 -7.228 1.674 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -7.292 -0.489 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.911 0.446 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -8.559 -0.272 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -9.611 1.115 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -9.503 -0.251 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -5.872 -1.827 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -6.072 -0.593 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -7.474 -1.543 2.304 1.00 0.00 H new ATOM 1366 N GLU A 128 -7.207 3.904 -0.486 1.00 0.00 N ATOM 1367 CA GLU A 128 -6.139 4.636 -1.232 1.00 0.00 C ATOM 1368 C GLU A 128 -5.067 5.101 -0.249 1.00 0.00 C ATOM 1369 O GLU A 128 -5.211 6.110 0.409 1.00 0.00 O ATOM 1370 CB GLU A 128 -6.753 5.853 -1.937 1.00 0.00 C ATOM 1371 CG GLU A 128 -5.669 6.630 -2.702 1.00 0.00 C ATOM 1372 CD GLU A 128 -4.891 7.541 -1.748 1.00 0.00 C ATOM 1373 OE1 GLU A 128 -5.367 8.631 -1.480 1.00 0.00 O ATOM 1374 OE2 GLU A 128 -3.826 7.138 -1.311 1.00 0.00 O ATOM 0 H GLU A 128 -7.910 4.499 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 128 -5.691 3.976 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -7.532 5.528 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.228 6.505 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -4.986 5.932 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -6.128 7.226 -3.491 1.00 0.00 H new ATOM 1381 N PHE A 129 -3.990 4.373 -0.147 1.00 0.00 N ATOM 1382 CA PHE A 129 -2.906 4.777 0.791 1.00 0.00 C ATOM 1383 C PHE A 129 -2.044 5.859 0.133 1.00 0.00 C ATOM 1384 O PHE A 129 -1.421 5.636 -0.893 1.00 0.00 O ATOM 1385 CB PHE A 129 -2.035 3.557 1.123 1.00 0.00 C ATOM 1386 CG PHE A 129 -2.689 2.725 2.207 1.00 0.00 C ATOM 1387 CD1 PHE A 129 -2.862 3.264 3.498 1.00 0.00 C ATOM 1388 CD2 PHE A 129 -3.110 1.408 1.935 1.00 0.00 C ATOM 1389 CE1 PHE A 129 -3.458 2.490 4.512 1.00 0.00 C ATOM 1390 CE2 PHE A 129 -3.704 0.634 2.952 1.00 0.00 C ATOM 1391 CZ PHE A 129 -3.877 1.176 4.239 1.00 0.00 C ATOM 0 H PHE A 129 -3.814 3.517 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 129 -3.344 5.169 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -1.889 2.952 0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -1.048 3.884 1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -2.537 4.272 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.977 0.992 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.593 2.906 5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -4.027 -0.375 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 129 -4.332 0.582 5.018 1.00 0.00 H new ATOM 1401 N SER A 130 -2.003 7.027 0.725 1.00 0.00 N ATOM 1402 CA SER A 130 -1.184 8.150 0.171 1.00 0.00 C ATOM 1403 C SER A 130 -0.030 8.440 1.132 1.00 0.00 C ATOM 1404 O SER A 130 -0.182 8.371 2.336 1.00 0.00 O ATOM 1405 CB SER A 130 -2.056 9.398 0.037 1.00 0.00 C ATOM 1406 OG SER A 130 -1.224 10.528 -0.193 1.00 0.00 O ATOM 0 H SER A 130 -2.510 7.253 1.581 1.00 0.00 H new ATOM 0 HA SER A 130 -0.793 7.875 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.761 9.277 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.645 9.543 0.943 1.00 0.00 H new ATOM 0 HG SER A 130 -1.779 11.331 -0.281 1.00 0.00 H new ATOM 1412 N HIS A 131 1.125 8.755 0.613 1.00 0.00 N ATOM 1413 CA HIS A 131 2.296 9.040 1.496 1.00 0.00 C ATOM 1414 C HIS A 131 3.225 10.049 0.773 1.00 0.00 C ATOM 1415 O HIS A 131 3.611 9.788 -0.350 1.00 0.00 O ATOM 1416 CB HIS A 131 3.048 7.721 1.729 1.00 0.00 C ATOM 1417 CG HIS A 131 3.872 7.790 2.987 1.00 0.00 C ATOM 1418 ND1 HIS A 131 4.758 8.826 3.242 1.00 0.00 N ATOM 1419 CD2 HIS A 131 3.961 6.947 4.065 1.00 0.00 C ATOM 1420 CE1 HIS A 131 5.335 8.579 4.433 1.00 0.00 C ATOM 1421 NE2 HIS A 131 4.884 7.447 4.978 1.00 0.00 N ATOM 0 H HIS A 131 1.311 8.828 -0.387 1.00 0.00 H new ATOM 0 HA HIS A 131 1.975 9.460 2.449 1.00 0.00 H new ATOM 0 HB2 HIS A 131 2.336 6.899 1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 131 3.694 7.510 0.877 1.00 0.00 H new ATOM 0 HD2 HIS A 131 3.399 6.033 4.187 1.00 0.00 H new ATOM 0 HE1 HIS A 131 6.074 9.219 4.892 1.00 0.00 H new ATOM 0 HE2 HIS A 131 5.157 7.037 5.871 1.00 0.00 H new ATOM 1429 N PRO A 132 3.577 11.169 1.396 1.00 0.00 N ATOM 1430 CA PRO A 132 4.465 12.152 0.735 1.00 0.00 C ATOM 1431 C PRO A 132 5.857 11.544 0.472 1.00 0.00 C ATOM 1432 O PRO A 132 6.828 12.258 0.318 1.00 0.00 O ATOM 1433 CB PRO A 132 4.556 13.340 1.725 1.00 0.00 C ATOM 1434 CG PRO A 132 3.824 12.915 3.030 1.00 0.00 C ATOM 1435 CD PRO A 132 3.138 11.559 2.758 1.00 0.00 C ATOM 0 HA PRO A 132 4.081 12.462 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 132 5.597 13.588 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 132 4.095 14.231 1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 132 4.531 12.828 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 132 3.088 13.666 3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.433 10.813 3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 132 2.053 11.648 2.812 1.00 0.00 H new ATOM 1443 N PHE A 133 5.970 10.241 0.418 1.00 0.00 N ATOM 1444 CA PHE A 133 7.305 9.616 0.165 1.00 0.00 C ATOM 1445 C PHE A 133 7.121 8.282 -0.565 1.00 0.00 C ATOM 1446 O PHE A 133 7.701 7.278 -0.199 1.00 0.00 O ATOM 1447 CB PHE A 133 8.011 9.377 1.500 1.00 0.00 C ATOM 1448 CG PHE A 133 8.494 10.695 2.059 1.00 0.00 C ATOM 1449 CD1 PHE A 133 9.675 11.275 1.566 1.00 0.00 C ATOM 1450 CD2 PHE A 133 7.762 11.341 3.074 1.00 0.00 C ATOM 1451 CE1 PHE A 133 10.129 12.503 2.085 1.00 0.00 C ATOM 1452 CE2 PHE A 133 8.215 12.570 3.595 1.00 0.00 C ATOM 1453 CZ PHE A 133 9.399 13.150 3.100 1.00 0.00 C ATOM 0 H PHE A 133 5.199 9.584 0.538 1.00 0.00 H new ATOM 0 HA PHE A 133 7.907 10.282 -0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 133 7.329 8.900 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 133 8.853 8.698 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 133 10.236 10.778 0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 133 6.854 10.895 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 133 11.037 12.948 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 133 7.654 13.066 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 133 9.747 14.091 3.499 1.00 0.00 H new ATOM 1463 N PHE A 134 6.319 8.264 -1.596 1.00 0.00 N ATOM 1464 CA PHE A 134 6.093 7.000 -2.359 1.00 0.00 C ATOM 1465 C PHE A 134 5.777 7.381 -3.811 1.00 0.00 C ATOM 1466 O PHE A 134 4.651 7.289 -4.257 1.00 0.00 O ATOM 1467 CB PHE A 134 4.903 6.251 -1.726 1.00 0.00 C ATOM 1468 CG PHE A 134 4.946 4.757 -2.026 1.00 0.00 C ATOM 1469 CD1 PHE A 134 5.014 4.281 -3.355 1.00 0.00 C ATOM 1470 CD2 PHE A 134 4.903 3.831 -0.958 1.00 0.00 C ATOM 1471 CE1 PHE A 134 5.042 2.894 -3.608 1.00 0.00 C ATOM 1472 CE2 PHE A 134 4.929 2.448 -1.215 1.00 0.00 C ATOM 1473 CZ PHE A 134 5.001 1.979 -2.538 1.00 0.00 C ATOM 0 H PHE A 134 5.808 9.075 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 134 6.970 6.354 -2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 134 4.910 6.405 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 134 3.969 6.670 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 134 5.045 4.980 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 134 4.850 4.187 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 134 5.095 2.533 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.894 1.746 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 134 5.025 0.917 -2.734 1.00 0.00 H new ATOM 1483 N LYS A 135 6.768 7.825 -4.546 1.00 0.00 N ATOM 1484 CA LYS A 135 6.538 8.233 -5.968 1.00 0.00 C ATOM 1485 C LYS A 135 7.663 7.663 -6.838 1.00 0.00 C ATOM 1486 O LYS A 135 8.724 7.322 -6.354 1.00 0.00 O ATOM 1487 CB LYS A 135 6.534 9.773 -6.087 1.00 0.00 C ATOM 1488 CG LYS A 135 5.802 10.429 -4.900 1.00 0.00 C ATOM 1489 CD LYS A 135 4.284 10.298 -5.071 1.00 0.00 C ATOM 1490 CE LYS A 135 3.571 10.522 -3.725 1.00 0.00 C ATOM 1491 NZ LYS A 135 2.225 11.111 -3.973 1.00 0.00 N ATOM 0 H LYS A 135 7.730 7.923 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 135 5.573 7.849 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 135 7.560 10.138 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 135 6.052 10.066 -7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 135 6.112 9.957 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 135 6.077 11.481 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.930 11.024 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 135 4.039 9.309 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 135 3.474 9.577 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 135 4.161 11.187 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.875 11.556 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 2.292 11.827 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.567 10.361 -4.267 1.00 0.00 H new ATOM 1505 N ARG A 136 7.442 7.560 -8.122 1.00 0.00 N ATOM 1506 CA ARG A 136 8.500 7.017 -9.018 1.00 0.00 C ATOM 1507 C ARG A 136 9.743 7.904 -8.931 1.00 0.00 C ATOM 1508 O ARG A 136 9.772 8.868 -8.192 1.00 0.00 O ATOM 1509 CB ARG A 136 7.989 6.995 -10.461 1.00 0.00 C ATOM 1510 CG ARG A 136 6.809 6.021 -10.573 1.00 0.00 C ATOM 1511 CD ARG A 136 6.569 5.674 -12.043 1.00 0.00 C ATOM 1512 NE ARG A 136 6.754 6.894 -12.879 1.00 0.00 N ATOM 1513 CZ ARG A 136 6.896 6.783 -14.172 1.00 0.00 C ATOM 1514 NH1 ARG A 136 6.876 5.605 -14.732 1.00 0.00 N ATOM 1515 NH2 ARG A 136 7.059 7.851 -14.902 1.00 0.00 N ATOM 0 H ARG A 136 6.575 7.829 -8.587 1.00 0.00 H new ATOM 0 HA ARG A 136 8.753 6.003 -8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 136 7.678 7.995 -10.763 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.789 6.692 -11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 136 7.017 5.115 -10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.913 6.468 -10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 136 7.261 4.894 -12.361 1.00 0.00 H new ATOM 0 HD3 ARG A 136 5.561 5.279 -12.175 1.00 0.00 H new ATOM 0 HE ARG A 136 6.770 7.815 -12.441 1.00 0.00 H new ATOM 0 HH11 ARG A 136 6.749 4.770 -14.160 1.00 0.00 H new ATOM 0 HH12 ARG A 136 6.987 5.519 -15.742 1.00 0.00 H new ATOM 0 HH21 ARG A 136 7.075 8.771 -14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 136 7.170 7.766 -15.912 1.00 0.00 H new ATOM 1529 N ASN A 137 10.769 7.581 -9.680 1.00 0.00 N ATOM 1530 CA ASN A 137 12.024 8.396 -9.652 1.00 0.00 C ATOM 1531 C ASN A 137 12.366 8.778 -8.208 1.00 0.00 C ATOM 1532 O ASN A 137 11.881 8.179 -7.268 1.00 0.00 O ATOM 1533 CB ASN A 137 11.837 9.662 -10.496 1.00 0.00 C ATOM 1534 CG ASN A 137 10.845 10.606 -9.812 1.00 0.00 C ATOM 1535 OD1 ASN A 137 11.171 11.238 -8.826 1.00 0.00 O ATOM 1536 ND2 ASN A 137 9.639 10.727 -10.295 1.00 0.00 N ATOM 0 H ASN A 137 10.791 6.782 -10.314 1.00 0.00 H new ATOM 0 HA ASN A 137 12.842 7.807 -10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 137 12.795 10.164 -10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.474 9.397 -11.489 1.00 0.00 H new ATOM 0 HD21 ASN A 137 8.970 11.352 -9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 137 9.365 10.197 -11.122 1.00 0.00 H new ATOM 1543 N SER A 138 13.195 9.770 -8.022 1.00 0.00 N ATOM 1544 CA SER A 138 13.557 10.180 -6.634 1.00 0.00 C ATOM 1545 C SER A 138 13.967 8.938 -5.828 1.00 0.00 C ATOM 1546 O SER A 138 13.226 8.491 -4.977 1.00 0.00 O ATOM 1547 CB SER A 138 12.345 10.837 -5.976 1.00 0.00 C ATOM 1548 OG SER A 138 12.745 11.438 -4.751 1.00 0.00 O ATOM 0 H SER A 138 13.635 10.311 -8.766 1.00 0.00 H new ATOM 0 HA SER A 138 14.388 10.885 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 138 11.918 11.588 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 138 11.568 10.094 -5.794 1.00 0.00 H new ATOM 0 HG SER A 138 13.697 11.665 -4.794 1.00 0.00 H new ATOM 1554 N PRO A 139 15.131 8.401 -6.125 1.00 0.00 N ATOM 1555 CA PRO A 139 15.634 7.199 -5.432 1.00 0.00 C ATOM 1556 C PRO A 139 16.026 7.540 -3.978 1.00 0.00 C ATOM 1557 O PRO A 139 17.008 7.043 -3.464 1.00 0.00 O ATOM 1558 CB PRO A 139 16.867 6.758 -6.263 1.00 0.00 C ATOM 1559 CG PRO A 139 17.140 7.870 -7.319 1.00 0.00 C ATOM 1560 CD PRO A 139 16.027 8.930 -7.177 1.00 0.00 C ATOM 0 HA PRO A 139 14.888 6.407 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 139 17.735 6.620 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 139 16.678 5.802 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 139 18.120 8.319 -7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 139 17.143 7.450 -8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.438 9.899 -6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 139 15.493 9.071 -8.117 1.00 0.00 H new ATOM 1568 N PHE A 140 15.267 8.375 -3.308 1.00 0.00 N ATOM 1569 CA PHE A 140 15.609 8.730 -1.892 1.00 0.00 C ATOM 1570 C PHE A 140 14.326 8.860 -1.055 1.00 0.00 C ATOM 1571 O PHE A 140 14.377 9.145 0.125 1.00 0.00 O ATOM 1572 CB PHE A 140 16.408 10.050 -1.873 1.00 0.00 C ATOM 1573 CG PHE A 140 15.483 11.249 -1.908 1.00 0.00 C ATOM 1574 CD1 PHE A 140 15.013 11.806 -0.703 1.00 0.00 C ATOM 1575 CD2 PHE A 140 15.094 11.808 -3.141 1.00 0.00 C ATOM 1576 CE1 PHE A 140 14.154 12.921 -0.729 1.00 0.00 C ATOM 1577 CE2 PHE A 140 14.234 12.924 -3.168 1.00 0.00 C ATOM 1578 CZ PHE A 140 13.765 13.480 -1.961 1.00 0.00 C ATOM 0 H PHE A 140 14.429 8.824 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 140 16.221 7.940 -1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 140 17.027 10.091 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 140 17.083 10.082 -2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 140 15.312 11.377 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 140 15.455 11.381 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 140 13.794 13.347 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 140 13.935 13.353 -4.113 1.00 0.00 H new ATOM 0 HZ PHE A 140 13.107 14.336 -1.981 1.00 0.00 H new ATOM 1588 N LEU A 141 13.180 8.649 -1.647 1.00 0.00 N ATOM 1589 CA LEU A 141 11.912 8.761 -0.866 1.00 0.00 C ATOM 1590 C LEU A 141 11.690 7.472 -0.073 1.00 0.00 C ATOM 1591 O LEU A 141 10.574 7.017 0.086 1.00 0.00 O ATOM 1592 CB LEU A 141 10.728 8.976 -1.815 1.00 0.00 C ATOM 1593 CG LEU A 141 11.076 10.043 -2.855 1.00 0.00 C ATOM 1594 CD1 LEU A 141 9.831 10.371 -3.683 1.00 0.00 C ATOM 1595 CD2 LEU A 141 11.570 11.311 -2.152 1.00 0.00 C ATOM 0 H LEU A 141 13.067 8.405 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 141 11.987 9.609 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 141 10.476 8.040 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 141 9.849 9.282 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 141 11.862 9.666 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 141 10.077 11.131 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.483 9.470 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 141 9.046 10.745 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 141 11.816 12.068 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 141 10.788 11.691 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 141 12.458 11.079 -1.564 1.00 0.00 H new ATOM 1607 N LEU A 142 12.746 6.872 0.416 1.00 0.00 N ATOM 1608 CA LEU A 142 12.613 5.606 1.189 1.00 0.00 C ATOM 1609 C LEU A 142 13.518 5.661 2.421 1.00 0.00 C ATOM 1610 O LEU A 142 13.154 5.214 3.491 1.00 0.00 O ATOM 1611 CB LEU A 142 13.046 4.450 0.293 1.00 0.00 C ATOM 1612 CG LEU A 142 12.021 4.252 -0.833 1.00 0.00 C ATOM 1613 CD1 LEU A 142 12.560 3.230 -1.837 1.00 0.00 C ATOM 1614 CD2 LEU A 142 10.673 3.760 -0.259 1.00 0.00 C ATOM 0 H LEU A 142 13.702 7.211 0.310 1.00 0.00 H new ATOM 0 HA LEU A 142 11.581 5.469 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 142 14.030 4.654 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 142 13.135 3.536 0.881 1.00 0.00 H new ATOM 0 HG LEU A 142 11.857 5.207 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 142 11.834 3.088 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 142 13.497 3.593 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 142 12.733 2.280 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 142 9.959 3.625 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 142 10.821 2.810 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 142 10.287 4.497 0.445 1.00 0.00 H new ATOM 1626 N ASP A 143 14.694 6.202 2.279 1.00 0.00 N ATOM 1627 CA ASP A 143 15.624 6.285 3.439 1.00 0.00 C ATOM 1628 C ASP A 143 15.132 7.354 4.419 1.00 0.00 C ATOM 1629 O ASP A 143 15.916 8.040 5.044 1.00 0.00 O ATOM 1630 CB ASP A 143 17.024 6.654 2.944 1.00 0.00 C ATOM 1631 CG ASP A 143 18.012 6.586 4.111 1.00 0.00 C ATOM 1632 OD1 ASP A 143 18.158 5.514 4.675 1.00 0.00 O ATOM 1633 OD2 ASP A 143 18.605 7.606 4.420 1.00 0.00 O ATOM 0 H ASP A 143 15.053 6.592 1.407 1.00 0.00 H new ATOM 0 HA ASP A 143 15.658 5.320 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 143 17.333 5.972 2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 143 17.018 7.657 2.517 1.00 0.00 H new ATOM 1638 N GLN A 144 13.837 7.499 4.555 1.00 0.00 N ATOM 1639 CA GLN A 144 13.275 8.524 5.494 1.00 0.00 C ATOM 1640 C GLN A 144 12.156 7.896 6.332 1.00 0.00 C ATOM 1641 O GLN A 144 11.771 8.419 7.359 1.00 0.00 O ATOM 1642 CB GLN A 144 12.705 9.693 4.685 1.00 0.00 C ATOM 1643 CG GLN A 144 13.853 10.548 4.144 1.00 0.00 C ATOM 1644 CD GLN A 144 13.283 11.760 3.405 1.00 0.00 C ATOM 1645 OE1 GLN A 144 12.163 12.291 3.812 1.00 0.00 O flip ATOM 1646 NE2 GLN A 144 13.865 12.230 2.447 1.00 0.00 N flip ATOM 0 H GLN A 144 13.139 6.949 4.054 1.00 0.00 H new ATOM 0 HA GLN A 144 14.065 8.883 6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 144 12.098 9.317 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 144 12.051 10.299 5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 144 14.493 10.876 4.963 1.00 0.00 H new ATOM 0 HG3 GLN A 144 14.474 9.957 3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 144 14.741 11.815 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 144 13.478 13.039 1.962 1.00 0.00 H new ATOM 1655 N ILE A 145 11.630 6.779 5.905 1.00 0.00 N ATOM 1656 CA ILE A 145 10.536 6.120 6.681 1.00 0.00 C ATOM 1657 C ILE A 145 11.145 5.228 7.767 1.00 0.00 C ATOM 1658 O ILE A 145 12.178 4.617 7.573 1.00 0.00 O ATOM 1659 CB ILE A 145 9.691 5.264 5.735 1.00 0.00 C ATOM 1660 CG1 ILE A 145 9.378 6.067 4.467 1.00 0.00 C ATOM 1661 CG2 ILE A 145 8.385 4.872 6.429 1.00 0.00 C ATOM 1662 CD1 ILE A 145 8.435 5.263 3.567 1.00 0.00 C ATOM 0 H ILE A 145 11.910 6.293 5.053 1.00 0.00 H new ATOM 0 HA ILE A 145 9.909 6.881 7.146 1.00 0.00 H new ATOM 0 HB ILE A 145 10.242 4.362 5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.919 7.020 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 145 10.300 6.295 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.783 4.262 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.609 4.302 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.831 5.772 6.696 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.214 5.836 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.910 4.322 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.508 5.058 4.102 1.00 0.00 H new ATOM 1674 N LYS A 146 10.515 5.148 8.911 1.00 0.00 N ATOM 1675 CA LYS A 146 11.057 4.296 10.011 1.00 0.00 C ATOM 1676 C LYS A 146 9.905 3.777 10.874 1.00 0.00 C ATOM 1677 O LYS A 146 8.817 4.318 10.866 1.00 0.00 O ATOM 1678 CB LYS A 146 12.016 5.120 10.884 1.00 0.00 C ATOM 1679 CG LYS A 146 11.344 6.438 11.337 1.00 0.00 C ATOM 1680 CD LYS A 146 11.673 7.578 10.362 1.00 0.00 C ATOM 1681 CE LYS A 146 11.102 8.890 10.900 1.00 0.00 C ATOM 1682 NZ LYS A 146 11.123 9.920 9.824 1.00 0.00 N ATOM 0 H LYS A 146 9.647 5.637 9.131 1.00 0.00 H new ATOM 0 HA LYS A 146 11.596 3.454 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 146 12.313 4.538 11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 146 12.925 5.342 10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 146 10.264 6.301 11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 146 11.684 6.700 12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 146 12.752 7.663 10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 146 11.254 7.363 9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 146 10.082 8.738 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 146 11.687 9.230 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 11.849 10.633 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 11.343 9.467 8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 10.192 10.380 9.766 1.00 0.00 H new ATOM 1696 N ARG A 147 10.135 2.730 11.623 1.00 0.00 N ATOM 1697 CA ARG A 147 9.056 2.175 12.491 1.00 0.00 C ATOM 1698 C ARG A 147 8.997 2.968 13.798 1.00 0.00 C ATOM 1699 O ARG A 147 9.816 2.796 14.679 1.00 0.00 O ATOM 1700 CB ARG A 147 9.354 0.703 12.794 1.00 0.00 C ATOM 1701 CG ARG A 147 8.351 0.172 13.826 1.00 0.00 C ATOM 1702 CD ARG A 147 8.349 -1.357 13.801 1.00 0.00 C ATOM 1703 NE ARG A 147 9.748 -1.859 13.906 1.00 0.00 N ATOM 1704 CZ ARG A 147 9.970 -3.111 14.202 1.00 0.00 C ATOM 1705 NH1 ARG A 147 8.967 -3.921 14.411 1.00 0.00 N ATOM 1706 NH2 ARG A 147 11.195 -3.552 14.292 1.00 0.00 N ATOM 0 H ARG A 147 11.026 2.235 11.671 1.00 0.00 H new ATOM 0 HA ARG A 147 8.097 2.252 11.978 1.00 0.00 H new ATOM 0 HB2 ARG A 147 9.294 0.114 11.879 1.00 0.00 H new ATOM 0 HB3 ARG A 147 10.370 0.599 13.174 1.00 0.00 H new ATOM 0 HG2 ARG A 147 8.615 0.529 14.821 1.00 0.00 H new ATOM 0 HG3 ARG A 147 7.353 0.551 13.606 1.00 0.00 H new ATOM 0 HD2 ARG A 147 7.750 -1.744 14.625 1.00 0.00 H new ATOM 0 HD3 ARG A 147 7.891 -1.715 12.879 1.00 0.00 H new ATOM 0 HE ARG A 147 10.531 -1.225 13.747 1.00 0.00 H new ATOM 0 HH11 ARG A 147 8.010 -3.575 14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 147 9.141 -4.899 14.642 1.00 0.00 H new ATOM 0 HH21 ARG A 147 11.978 -2.919 14.131 1.00 0.00 H new ATOM 0 HH22 ARG A 147 11.369 -4.530 14.523 1.00 0.00 H new ATOM 1720 N LYS A 148 8.033 3.838 13.931 1.00 0.00 N ATOM 1721 CA LYS A 148 7.920 4.643 15.180 1.00 0.00 C ATOM 1722 C LYS A 148 9.278 5.282 15.490 1.00 0.00 C ATOM 1723 O LYS A 148 9.509 6.440 15.208 1.00 0.00 O ATOM 1724 CB LYS A 148 7.486 3.720 16.334 1.00 0.00 C ATOM 1725 CG LYS A 148 6.704 4.509 17.404 1.00 0.00 C ATOM 1726 CD LYS A 148 7.636 5.493 18.168 1.00 0.00 C ATOM 1727 CE LYS A 148 7.420 6.933 17.678 1.00 0.00 C ATOM 1728 NZ LYS A 148 8.229 7.866 18.513 1.00 0.00 N ATOM 0 H LYS A 148 7.318 4.026 13.228 1.00 0.00 H new ATOM 0 HA LYS A 148 7.178 5.432 15.056 1.00 0.00 H new ATOM 0 HB2 LYS A 148 6.865 2.912 15.946 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.364 3.258 16.786 1.00 0.00 H new ATOM 0 HG2 LYS A 148 5.894 5.064 16.931 1.00 0.00 H new ATOM 0 HG3 LYS A 148 6.246 3.815 18.109 1.00 0.00 H new ATOM 0 HD2 LYS A 148 7.437 5.434 19.238 1.00 0.00 H new ATOM 0 HD3 LYS A 148 8.677 5.205 18.020 1.00 0.00 H new ATOM 0 HE2 LYS A 148 7.710 7.020 16.631 1.00 0.00 H new ATOM 0 HE3 LYS A 148 6.364 7.195 17.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 8.084 8.842 18.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 7.932 7.789 19.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 9.236 7.619 18.433 1.00 0.00 H new TER 1742 LYS A 148