USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 795 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 98 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 127 SER OG : rot 52:sc= 1.29 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= 0.562 F(o=-1.5!,f=1.3) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 1 USER MOD Set 2.3: A 122 ASN : amide:sc= -0.237 K(o=1.3,f=-6.3!) USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 1.01 USER MOD Set 3.2: A 113 SER OG : rot 68:sc= 1.24 USER MOD Set 4.1: A 58 MET CE :methyl -159:sc= -0.0372 (180deg=-0.343) USER MOD Set 4.2: A 100 THR OG1 : rot 52:sc= 0.0057 USER MOD Set 4.3: A 103 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 38 THR OG1 : rot 140:sc= 0.752 USER MOD Set 5.2: A 47 GLN : amide:sc= -1.34 K(o=-0.58,f=-1.8) USER MOD Set 6.1: A 29 TYR OH : rot 40:sc= 1.28 USER MOD Set 6.2: A 78 SER OG : rot -26:sc= 2.2 USER MOD Single : A 34 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.013 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0929 K(o=-0.093,f=-1.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0238 (180deg=-0.207) USER MOD Single : A 57 HIS : no HE2:sc= 0.724 K(o=0.72,f=-2.8!) USER MOD Single : A 61 SER OG : rot -47:sc= 0.637 USER MOD Single : A 63 SER OG : rot 84:sc= 1.16 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= -0.101 (180deg=-0.477) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 97:sc= 1.26 USER MOD Single : A 76 GLN : amide:sc= -0.0841 X(o=-0.084,f=-0.35) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.13) USER MOD Single : A 85 ASN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.15 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.1) USER MOD Single : A 104 SER OG : rot -72:sc= 0.761 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.314 F(o=-1.7!,f=-0.31) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 119 HIS : no HE2:sc= -2.68! C(o=-2.7!,f=-5.9!) USER MOD Single : A 120 SER OG : rot 162:sc= 0.68 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.215 -1.362 10.779 1.00 0.00 N ATOM 24 CA LEU A 26 -6.803 -1.119 10.529 1.00 0.00 C ATOM 25 C LEU A 26 -6.668 -0.216 9.313 1.00 0.00 C ATOM 26 O LEU A 26 -6.106 -0.598 8.291 1.00 0.00 O ATOM 27 CB LEU A 26 -6.050 -2.437 10.304 1.00 0.00 C ATOM 28 CG LEU A 26 -6.054 -3.411 11.484 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.306 -4.680 11.116 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.441 -2.769 12.721 1.00 0.00 C ATOM 0 HA LEU A 26 -6.363 -0.633 11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.484 -2.940 9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.015 -2.205 10.051 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.088 -3.667 11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.315 -5.366 11.963 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.790 -5.152 10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.276 -4.434 10.860 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.456 -3.481 13.546 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.412 -2.480 12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.016 -1.885 12.995 1.00 0.00 H new ATOM 42 N SER A 27 -7.214 0.979 9.424 1.00 0.00 N ATOM 43 CA SER A 27 -7.241 1.907 8.312 1.00 0.00 C ATOM 44 C SER A 27 -5.991 2.774 8.336 1.00 0.00 C ATOM 45 O SER A 27 -5.407 3.002 9.399 1.00 0.00 O ATOM 46 CB SER A 27 -8.492 2.782 8.408 1.00 0.00 C ATOM 47 OG SER A 27 -9.637 2.001 8.719 1.00 0.00 O ATOM 0 H SER A 27 -7.647 1.331 10.278 1.00 0.00 H new ATOM 0 HA SER A 27 -7.266 1.352 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.349 3.545 9.173 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.649 3.304 7.464 1.00 0.00 H new ATOM 0 HG SER A 27 -10.424 2.582 8.777 1.00 0.00 H new ATOM 53 N TRP A 28 -5.581 3.267 7.175 1.00 0.00 N ATOM 54 CA TRP A 28 -4.414 4.138 7.100 1.00 0.00 C ATOM 55 C TRP A 28 -4.757 5.563 7.545 1.00 0.00 C ATOM 56 O TRP A 28 -4.250 6.544 7.001 1.00 0.00 O ATOM 57 CB TRP A 28 -3.790 4.124 5.695 1.00 0.00 C ATOM 58 CG TRP A 28 -4.734 4.416 4.557 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.883 5.158 4.590 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.582 3.982 3.198 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.458 5.198 3.343 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.675 4.486 2.470 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.623 3.211 2.526 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.837 4.245 1.107 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.788 2.976 1.172 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.886 3.492 0.476 1.00 0.00 C ATOM 0 H TRP A 28 -6.033 3.082 6.280 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.667 3.747 7.791 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.982 4.855 5.669 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.340 3.146 5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.281 5.642 5.470 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.326 5.679 3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.772 2.808 3.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.685 4.640 0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.056 2.384 0.643 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.985 3.292 -0.581 1.00 0.00 H new ATOM 77 N TYR A 29 -5.645 5.652 8.526 1.00 0.00 N ATOM 78 CA TYR A 29 -5.957 6.904 9.198 1.00 0.00 C ATOM 79 C TYR A 29 -5.983 6.694 10.709 1.00 0.00 C ATOM 80 O TYR A 29 -6.260 7.621 11.472 1.00 0.00 O ATOM 81 CB TYR A 29 -7.296 7.474 8.719 1.00 0.00 C ATOM 82 CG TYR A 29 -7.199 8.243 7.419 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.649 9.518 7.394 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.661 7.705 6.222 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.558 10.235 6.219 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.572 8.418 5.041 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.020 9.680 5.046 1.00 0.00 C ATOM 88 OH TYR A 29 -6.927 10.396 3.875 1.00 0.00 O ATOM 0 H TYR A 29 -6.171 4.853 8.879 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.178 7.625 8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.006 6.656 8.595 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.698 8.131 9.490 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.286 9.956 8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.095 6.716 6.215 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.127 11.225 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.934 7.988 4.119 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.070 10.871 3.849 1.00 0.00 H new ATOM 98 N ASP A 30 -5.689 5.470 11.140 1.00 0.00 N ATOM 99 CA ASP A 30 -5.618 5.158 12.561 1.00 0.00 C ATOM 100 C ASP A 30 -4.203 5.415 13.070 1.00 0.00 C ATOM 101 O ASP A 30 -3.222 5.097 12.395 1.00 0.00 O ATOM 102 CB ASP A 30 -6.021 3.702 12.833 1.00 0.00 C ATOM 103 CG ASP A 30 -7.499 3.438 12.598 1.00 0.00 C ATOM 104 OD1 ASP A 30 -8.321 3.806 13.467 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.849 2.851 11.553 1.00 0.00 O ATOM 0 H ASP A 30 -5.497 4.680 10.524 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.320 5.802 13.090 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.434 3.043 12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.772 3.449 13.864 1.00 0.00 H new ATOM 110 N PRO A 31 -4.084 5.998 14.274 1.00 0.00 N ATOM 111 CA PRO A 31 -2.804 6.468 14.823 1.00 0.00 C ATOM 112 C PRO A 31 -1.826 5.341 15.121 1.00 0.00 C ATOM 113 O PRO A 31 -0.612 5.541 15.118 1.00 0.00 O ATOM 114 CB PRO A 31 -3.197 7.176 16.126 1.00 0.00 C ATOM 115 CG PRO A 31 -4.673 7.370 16.047 1.00 0.00 C ATOM 116 CD PRO A 31 -5.195 6.248 15.202 1.00 0.00 C ATOM 0 HA PRO A 31 -2.288 7.107 14.107 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.926 6.576 16.995 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.681 8.131 16.224 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.122 7.352 17.040 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.916 8.336 15.605 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.430 5.367 15.799 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.107 6.528 14.675 1.00 0.00 H new ATOM 124 N ASP A 32 -2.355 4.155 15.377 1.00 0.00 N ATOM 125 CA ASP A 32 -1.521 3.013 15.730 1.00 0.00 C ATOM 126 C ASP A 32 -1.156 2.200 14.493 1.00 0.00 C ATOM 127 O ASP A 32 -0.423 1.214 14.581 1.00 0.00 O ATOM 128 CB ASP A 32 -2.233 2.118 16.750 1.00 0.00 C ATOM 129 CG ASP A 32 -3.369 1.318 16.146 1.00 0.00 C ATOM 130 OD1 ASP A 32 -4.343 1.930 15.661 1.00 0.00 O ATOM 131 OD2 ASP A 32 -3.296 0.069 16.168 1.00 0.00 O ATOM 0 H ASP A 32 -3.355 3.956 15.348 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.604 3.397 16.176 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.509 1.433 17.192 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.622 2.737 17.559 1.00 0.00 H new ATOM 136 N PHE A 33 -1.657 2.619 13.339 1.00 0.00 N ATOM 137 CA PHE A 33 -1.385 1.915 12.100 1.00 0.00 C ATOM 138 C PHE A 33 -0.026 2.336 11.546 1.00 0.00 C ATOM 139 O PHE A 33 0.263 3.527 11.416 1.00 0.00 O ATOM 140 CB PHE A 33 -2.490 2.187 11.075 1.00 0.00 C ATOM 141 CG PHE A 33 -2.425 1.299 9.865 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.869 -0.011 9.935 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.921 1.770 8.663 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.815 -0.836 8.830 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.866 0.950 7.553 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.313 -0.354 7.637 1.00 0.00 C ATOM 0 H PHE A 33 -2.252 3.441 13.238 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.363 0.844 12.303 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.459 2.059 11.557 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.428 3.227 10.755 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.262 -0.392 10.866 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.568 2.788 8.594 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.164 -1.856 8.898 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.474 1.328 6.620 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.270 -0.997 6.770 1.00 0.00 H new ATOM 156 N GLN A 34 0.806 1.355 11.236 1.00 0.00 N ATOM 157 CA GLN A 34 2.133 1.619 10.706 1.00 0.00 C ATOM 158 C GLN A 34 2.238 1.196 9.251 1.00 0.00 C ATOM 159 O GLN A 34 1.734 0.140 8.863 1.00 0.00 O ATOM 160 CB GLN A 34 3.199 0.901 11.539 1.00 0.00 C ATOM 161 CG GLN A 34 3.726 1.733 12.694 1.00 0.00 C ATOM 162 CD GLN A 34 4.371 3.023 12.223 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.892 3.097 11.111 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.357 4.039 13.065 1.00 0.00 N ATOM 0 H GLN A 34 0.584 0.365 11.343 1.00 0.00 H new ATOM 0 HA GLN A 34 2.304 2.694 10.763 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.780 -0.026 11.931 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.031 0.625 10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.908 1.966 13.375 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.454 1.149 13.258 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.915 3.938 13.979 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.788 4.925 12.802 1.00 0.00 H new ATOM 173 N ALA A 35 2.896 2.024 8.452 1.00 0.00 N ATOM 174 CA ALA A 35 3.093 1.735 7.044 1.00 0.00 C ATOM 175 C ALA A 35 4.403 2.336 6.552 1.00 0.00 C ATOM 176 O ALA A 35 4.880 3.337 7.095 1.00 0.00 O ATOM 177 CB ALA A 35 1.925 2.258 6.224 1.00 0.00 C ATOM 0 H ALA A 35 3.304 2.907 8.760 1.00 0.00 H new ATOM 0 HA ALA A 35 3.144 0.653 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.090 2.032 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.004 1.780 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.842 3.337 6.355 1.00 0.00 H new ATOM 183 N ARG A 36 4.983 1.713 5.540 1.00 0.00 N ATOM 184 CA ARG A 36 6.238 2.164 4.961 1.00 0.00 C ATOM 185 C ARG A 36 6.241 1.900 3.463 1.00 0.00 C ATOM 186 O ARG A 36 5.356 1.220 2.941 1.00 0.00 O ATOM 187 CB ARG A 36 7.424 1.423 5.588 1.00 0.00 C ATOM 188 CG ARG A 36 7.426 -0.069 5.284 1.00 0.00 C ATOM 189 CD ARG A 36 8.798 -0.691 5.478 1.00 0.00 C ATOM 190 NE ARG A 36 9.310 -0.515 6.834 1.00 0.00 N ATOM 191 CZ ARG A 36 10.439 -1.066 7.269 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.148 -1.844 6.464 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.864 -0.844 8.500 1.00 0.00 N ATOM 0 H ARG A 36 4.597 0.880 5.096 1.00 0.00 H new ATOM 0 HA ARG A 36 6.334 3.232 5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.353 1.863 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.405 1.567 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.706 -0.571 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.098 -0.229 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.745 -1.755 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.497 -0.247 4.770 1.00 0.00 H new ATOM 0 HE ARG A 36 8.773 0.061 7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.827 -2.020 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.014 -2.267 6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.325 -0.246 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.731 -1.271 8.825 1.00 0.00 H new ATOM 206 N LEU A 37 7.239 2.433 2.786 1.00 0.00 N ATOM 207 CA LEU A 37 7.462 2.139 1.384 1.00 0.00 C ATOM 208 C LEU A 37 8.734 1.319 1.248 1.00 0.00 C ATOM 209 O LEU A 37 9.689 1.523 2.002 1.00 0.00 O ATOM 210 CB LEU A 37 7.565 3.435 0.580 1.00 0.00 C ATOM 211 CG LEU A 37 6.323 4.327 0.632 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.550 5.614 -0.143 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.113 3.589 0.084 1.00 0.00 C ATOM 0 H LEU A 37 7.916 3.080 3.190 1.00 0.00 H new ATOM 0 HA LEU A 37 6.622 1.567 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.419 4.005 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.771 3.184 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 37 6.133 4.582 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.654 6.232 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.390 6.156 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.769 5.378 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.239 4.239 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.299 3.303 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.931 2.695 0.680 1.00 0.00 H new ATOM 225 N THR A 38 8.730 0.377 0.315 1.00 0.00 N ATOM 226 CA THR A 38 9.878 -0.492 0.094 1.00 0.00 C ATOM 227 C THR A 38 11.086 0.313 -0.364 1.00 0.00 C ATOM 228 O THR A 38 10.928 1.433 -0.851 1.00 0.00 O ATOM 229 CB THR A 38 9.571 -1.559 -0.968 1.00 0.00 C ATOM 230 OG1 THR A 38 9.168 -0.918 -2.183 1.00 0.00 O ATOM 231 CG2 THR A 38 8.476 -2.502 -0.497 1.00 0.00 C ATOM 0 H THR A 38 7.940 0.194 -0.304 1.00 0.00 H new ATOM 0 HA THR A 38 10.098 -0.979 1.044 1.00 0.00 H new ATOM 0 HB THR A 38 10.473 -2.146 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.563 -1.387 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.280 -3.246 -1.269 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.795 -3.003 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.566 -1.934 -0.301 1.00 0.00 H new ATOM 239 N ARG A 39 12.277 -0.261 -0.232 1.00 0.00 N ATOM 240 CA ARG A 39 13.503 0.434 -0.615 1.00 0.00 C ATOM 241 C ARG A 39 13.408 0.909 -2.062 1.00 0.00 C ATOM 242 O ARG A 39 13.443 2.108 -2.328 1.00 0.00 O ATOM 243 CB ARG A 39 14.724 -0.478 -0.451 1.00 0.00 C ATOM 244 CG ARG A 39 14.868 -1.104 0.932 1.00 0.00 C ATOM 245 CD ARG A 39 14.934 -0.058 2.038 1.00 0.00 C ATOM 246 NE ARG A 39 13.642 0.123 2.704 1.00 0.00 N ATOM 247 CZ ARG A 39 13.503 0.641 3.921 1.00 0.00 C ATOM 248 NH1 ARG A 39 14.565 1.074 4.588 1.00 0.00 N ATOM 249 NH2 ARG A 39 12.304 0.734 4.477 1.00 0.00 N ATOM 0 H ARG A 39 12.421 -1.202 0.136 1.00 0.00 H new ATOM 0 HA ARG A 39 13.622 1.296 0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.668 -1.275 -1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.623 0.098 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.025 -1.771 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.770 -1.715 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.682 -0.355 2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.261 0.893 1.618 1.00 0.00 H new ATOM 0 HE ARG A 39 12.800 -0.165 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.492 1.010 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.454 1.471 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.481 0.407 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.204 1.132 5.411 1.00 0.00 H new ATOM 262 N SER A 40 13.270 -0.052 -2.979 1.00 0.00 N ATOM 263 CA SER A 40 13.123 0.228 -4.408 1.00 0.00 C ATOM 264 C SER A 40 14.254 1.130 -4.910 1.00 0.00 C ATOM 265 O SER A 40 15.360 0.656 -5.174 1.00 0.00 O ATOM 266 CB SER A 40 11.746 0.849 -4.698 1.00 0.00 C ATOM 267 OG SER A 40 11.547 1.051 -6.089 1.00 0.00 O ATOM 0 H SER A 40 13.257 -1.046 -2.751 1.00 0.00 H new ATOM 0 HA SER A 40 13.189 -0.716 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.963 0.198 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.658 1.801 -4.175 1.00 0.00 H new ATOM 0 HG SER A 40 10.662 1.445 -6.239 1.00 0.00 H new ATOM 273 N ASN A 41 13.975 2.423 -5.026 1.00 0.00 N ATOM 274 CA ASN A 41 14.976 3.396 -5.451 1.00 0.00 C ATOM 275 C ASN A 41 15.058 4.527 -4.435 1.00 0.00 C ATOM 276 O ASN A 41 16.016 5.301 -4.409 1.00 0.00 O ATOM 277 CB ASN A 41 14.627 3.964 -6.833 1.00 0.00 C ATOM 278 CG ASN A 41 14.585 2.906 -7.925 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.409 1.878 -7.798 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 13.811 3.012 -8.878 1.00 0.00 N flip ATOM 0 H ASN A 41 13.058 2.824 -4.830 1.00 0.00 H new ATOM 0 HA ASN A 41 15.942 2.895 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.658 4.460 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 41 15.360 4.724 -7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.190 3.818 -8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.792 2.293 -9.602 1.00 0.00 H new ATOM 287 N SER A 42 14.046 4.595 -3.584 1.00 0.00 N ATOM 288 CA SER A 42 13.918 5.655 -2.605 1.00 0.00 C ATOM 289 C SER A 42 12.839 5.282 -1.602 1.00 0.00 C ATOM 290 O SER A 42 11.797 4.751 -1.974 1.00 0.00 O ATOM 291 CB SER A 42 13.550 6.966 -3.301 1.00 0.00 C ATOM 292 OG SER A 42 13.349 8.010 -2.366 1.00 0.00 O ATOM 0 H SER A 42 13.289 3.912 -3.556 1.00 0.00 H new ATOM 0 HA SER A 42 14.868 5.787 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.342 7.245 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.644 6.825 -3.891 1.00 0.00 H new ATOM 0 HG SER A 42 13.117 8.835 -2.842 1.00 0.00 H new ATOM 298 N LYS A 43 13.083 5.567 -0.331 1.00 0.00 N ATOM 299 CA LYS A 43 12.128 5.239 0.719 1.00 0.00 C ATOM 300 C LYS A 43 10.872 6.092 0.603 1.00 0.00 C ATOM 301 O LYS A 43 9.878 5.830 1.274 1.00 0.00 O ATOM 302 CB LYS A 43 12.750 5.435 2.104 1.00 0.00 C ATOM 303 CG LYS A 43 13.863 4.451 2.435 1.00 0.00 C ATOM 304 CD LYS A 43 14.306 4.588 3.885 1.00 0.00 C ATOM 305 CE LYS A 43 13.154 4.328 4.845 1.00 0.00 C ATOM 306 NZ LYS A 43 13.560 4.485 6.268 1.00 0.00 N ATOM 0 H LYS A 43 13.933 6.024 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 43 11.856 4.191 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.145 6.449 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.967 5.347 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.518 3.433 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.713 4.624 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.116 3.887 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.702 5.589 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.337 5.015 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.773 3.319 4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.744 4.298 6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.321 3.811 6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.899 5.455 6.427 1.00 0.00 H new ATOM 319 N CYS A 44 10.922 7.111 -0.242 1.00 0.00 N ATOM 320 CA CYS A 44 9.785 7.999 -0.423 1.00 0.00 C ATOM 321 C CYS A 44 8.986 7.620 -1.671 1.00 0.00 C ATOM 322 O CYS A 44 8.036 8.314 -2.054 1.00 0.00 O ATOM 323 CB CYS A 44 10.252 9.452 -0.514 1.00 0.00 C ATOM 324 SG CYS A 44 8.910 10.672 -0.330 1.00 0.00 S ATOM 0 H CYS A 44 11.736 7.343 -0.812 1.00 0.00 H new ATOM 0 HA CYS A 44 9.133 7.893 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.001 9.632 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.741 9.607 -1.476 1.00 0.00 H new ATOM 329 N GLN A 45 9.371 6.521 -2.313 1.00 0.00 N ATOM 330 CA GLN A 45 8.648 6.035 -3.478 1.00 0.00 C ATOM 331 C GLN A 45 8.930 4.551 -3.712 1.00 0.00 C ATOM 332 O GLN A 45 10.065 4.147 -3.963 1.00 0.00 O ATOM 333 CB GLN A 45 8.994 6.870 -4.722 1.00 0.00 C ATOM 334 CG GLN A 45 10.471 6.889 -5.082 1.00 0.00 C ATOM 335 CD GLN A 45 10.774 6.138 -6.365 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.090 5.181 -6.718 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.806 6.571 -7.070 1.00 0.00 N ATOM 0 H GLN A 45 10.176 5.954 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 45 7.580 6.145 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.432 6.482 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.660 7.895 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.802 7.922 -5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.045 6.450 -4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.349 7.370 -6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.059 6.106 -7.942 1.00 0.00 H new ATOM 346 N GLY A 46 7.892 3.743 -3.613 1.00 0.00 N ATOM 347 CA GLY A 46 8.058 2.315 -3.772 1.00 0.00 C ATOM 348 C GLY A 46 6.783 1.563 -3.475 1.00 0.00 C ATOM 349 O GLY A 46 5.703 2.155 -3.452 1.00 0.00 O ATOM 0 H GLY A 46 6.937 4.048 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.378 2.098 -4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.849 1.965 -3.108 1.00 0.00 H new ATOM 353 N GLN A 47 6.907 0.263 -3.252 1.00 0.00 N ATOM 354 CA GLN A 47 5.762 -0.574 -2.948 1.00 0.00 C ATOM 355 C GLN A 47 5.325 -0.345 -1.508 1.00 0.00 C ATOM 356 O GLN A 47 6.155 -0.140 -0.623 1.00 0.00 O ATOM 357 CB GLN A 47 6.089 -2.056 -3.173 1.00 0.00 C ATOM 358 CG GLN A 47 6.365 -2.431 -4.631 1.00 0.00 C ATOM 359 CD GLN A 47 7.684 -1.888 -5.159 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.746 -0.788 -5.708 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.745 -2.661 -4.998 1.00 0.00 N ATOM 0 H GLN A 47 7.797 -0.235 -3.277 1.00 0.00 H new ATOM 0 HA GLN A 47 4.947 -0.302 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.960 -2.318 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.257 -2.658 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.365 -3.517 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.552 -2.057 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.651 -3.566 -4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.657 -2.352 -5.334 1.00 0.00 H new ATOM 370 N LEU A 48 4.023 -0.367 -1.282 1.00 0.00 N ATOM 371 CA LEU A 48 3.472 -0.094 0.035 1.00 0.00 C ATOM 372 C LEU A 48 3.543 -1.324 0.927 1.00 0.00 C ATOM 373 O LEU A 48 2.970 -2.365 0.610 1.00 0.00 O ATOM 374 CB LEU A 48 2.020 0.379 -0.094 1.00 0.00 C ATOM 375 CG LEU A 48 1.317 0.723 1.225 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.998 1.896 1.912 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.150 1.034 0.981 1.00 0.00 C ATOM 0 H LEU A 48 3.325 -0.572 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 48 4.069 0.693 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.999 1.259 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.447 -0.398 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 48 1.385 -0.145 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.481 2.121 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.036 1.640 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.965 2.769 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.633 1.276 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.234 1.884 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.637 0.166 0.537 1.00 0.00 H new ATOM 389 N GLU A 49 4.258 -1.202 2.034 1.00 0.00 N ATOM 390 CA GLU A 49 4.281 -2.244 3.044 1.00 0.00 C ATOM 391 C GLU A 49 3.580 -1.754 4.298 1.00 0.00 C ATOM 392 O GLU A 49 3.911 -0.694 4.831 1.00 0.00 O ATOM 393 CB GLU A 49 5.709 -2.674 3.395 1.00 0.00 C ATOM 394 CG GLU A 49 6.425 -3.435 2.292 1.00 0.00 C ATOM 395 CD GLU A 49 7.763 -3.985 2.745 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.781 -3.264 2.653 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.808 -5.148 3.200 1.00 0.00 O ATOM 0 H GLU A 49 4.832 -0.388 2.255 1.00 0.00 H new ATOM 0 HA GLU A 49 3.763 -3.111 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.291 -1.787 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.678 -3.297 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.794 -4.256 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.577 -2.775 1.438 1.00 0.00 H new ATOM 404 N VAL A 50 2.612 -2.516 4.757 1.00 0.00 N ATOM 405 CA VAL A 50 1.871 -2.158 5.952 1.00 0.00 C ATOM 406 C VAL A 50 2.198 -3.123 7.080 1.00 0.00 C ATOM 407 O VAL A 50 2.550 -4.280 6.835 1.00 0.00 O ATOM 408 CB VAL A 50 0.346 -2.137 5.702 1.00 0.00 C ATOM 409 CG1 VAL A 50 -0.004 -1.115 4.630 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.168 -3.519 5.315 1.00 0.00 C ATOM 0 H VAL A 50 2.317 -3.390 4.322 1.00 0.00 H new ATOM 0 HA VAL A 50 2.174 -1.150 6.235 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.144 -1.847 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.082 -1.114 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.315 -0.124 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.503 -1.374 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.244 -3.473 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.329 -3.850 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.043 -4.224 6.119 1.00 0.00 H new ATOM 420 N TYR A 51 2.111 -2.640 8.308 1.00 0.00 N ATOM 421 CA TYR A 51 2.431 -3.458 9.462 1.00 0.00 C ATOM 422 C TYR A 51 1.194 -4.200 9.943 1.00 0.00 C ATOM 423 O TYR A 51 0.271 -3.603 10.496 1.00 0.00 O ATOM 424 CB TYR A 51 3.011 -2.597 10.588 1.00 0.00 C ATOM 425 CG TYR A 51 3.476 -3.393 11.792 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.685 -4.079 11.772 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.705 -3.463 12.948 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.109 -4.810 12.867 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.124 -4.193 14.043 1.00 0.00 C ATOM 430 CZ TYR A 51 4.326 -4.864 13.998 1.00 0.00 C ATOM 431 OH TYR A 51 4.744 -5.593 15.088 1.00 0.00 O ATOM 0 H TYR A 51 1.822 -1.687 8.530 1.00 0.00 H new ATOM 0 HA TYR A 51 3.183 -4.190 9.168 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.851 -2.023 10.197 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.256 -1.879 10.909 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.303 -4.041 10.887 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.762 -2.937 12.990 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.051 -5.337 12.835 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.511 -4.238 14.931 1.00 0.00 H new ATOM 0 HH TYR A 51 4.076 -5.526 15.802 1.00 0.00 H new ATOM 441 N LEU A 52 1.178 -5.501 9.709 1.00 0.00 N ATOM 442 CA LEU A 52 0.095 -6.344 10.176 1.00 0.00 C ATOM 443 C LEU A 52 0.408 -6.832 11.584 1.00 0.00 C ATOM 444 O LEU A 52 1.406 -6.414 12.173 1.00 0.00 O ATOM 445 CB LEU A 52 -0.118 -7.532 9.231 1.00 0.00 C ATOM 446 CG LEU A 52 -0.478 -7.174 7.787 1.00 0.00 C ATOM 447 CD1 LEU A 52 -0.600 -8.438 6.952 1.00 0.00 C ATOM 448 CD2 LEU A 52 -1.772 -6.368 7.731 1.00 0.00 C ATOM 0 H LEU A 52 1.907 -5.997 9.196 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.826 -5.762 10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.791 -8.133 9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.910 -8.160 9.639 1.00 0.00 H new ATOM 0 HG LEU A 52 0.320 -6.556 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.856 -8.173 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.349 -8.974 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.381 -9.075 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.006 -6.126 6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.585 -6.955 8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.651 -5.446 8.300 1.00 0.00 H new ATOM 460 N LYS A 53 -0.418 -7.717 12.117 1.00 0.00 N ATOM 461 CA LYS A 53 -0.259 -8.162 13.494 1.00 0.00 C ATOM 462 C LYS A 53 1.087 -8.860 13.695 1.00 0.00 C ATOM 463 O LYS A 53 1.717 -8.730 14.749 1.00 0.00 O ATOM 464 CB LYS A 53 -1.399 -9.103 13.884 1.00 0.00 C ATOM 465 CG LYS A 53 -1.521 -9.311 15.383 1.00 0.00 C ATOM 466 CD LYS A 53 -2.566 -10.361 15.721 1.00 0.00 C ATOM 467 CE LYS A 53 -2.817 -10.432 17.220 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.553 -10.557 17.992 1.00 0.00 N ATOM 0 H LYS A 53 -1.202 -8.141 11.621 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.288 -7.282 14.136 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.338 -8.702 13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.245 -10.068 13.402 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.556 -9.615 15.788 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.785 -8.368 15.861 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.498 -10.129 15.205 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.236 -11.335 15.359 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.351 -9.537 17.541 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.461 -11.283 17.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.768 -10.855 18.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.939 -11.265 17.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.065 -9.639 18.011 1.00 0.00 H new ATOM 481 N ASP A 54 1.529 -9.592 12.678 1.00 0.00 N ATOM 482 CA ASP A 54 2.774 -10.351 12.772 1.00 0.00 C ATOM 483 C ASP A 54 3.972 -9.568 12.226 1.00 0.00 C ATOM 484 O ASP A 54 5.089 -9.725 12.719 1.00 0.00 O ATOM 485 CB ASP A 54 2.654 -11.696 12.041 1.00 0.00 C ATOM 486 CG ASP A 54 2.684 -11.561 10.531 1.00 0.00 C ATOM 487 OD1 ASP A 54 1.670 -11.127 9.943 1.00 0.00 O ATOM 488 OD2 ASP A 54 3.723 -11.895 9.921 1.00 0.00 O ATOM 0 H ASP A 54 1.048 -9.677 11.783 1.00 0.00 H new ATOM 0 HA ASP A 54 2.949 -10.534 13.832 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.469 -12.348 12.357 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.724 -12.181 12.337 1.00 0.00 H new ATOM 493 N GLY A 55 3.754 -8.724 11.220 1.00 0.00 N ATOM 494 CA GLY A 55 4.867 -7.999 10.635 1.00 0.00 C ATOM 495 C GLY A 55 4.501 -7.245 9.370 1.00 0.00 C ATOM 496 O GLY A 55 3.322 -7.118 9.030 1.00 0.00 O ATOM 0 H GLY A 55 2.842 -8.532 10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.257 -7.294 11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.670 -8.701 10.410 1.00 0.00 H new ATOM 500 N TRP A 56 5.522 -6.755 8.668 1.00 0.00 N ATOM 501 CA TRP A 56 5.329 -5.943 7.470 1.00 0.00 C ATOM 502 C TRP A 56 4.978 -6.805 6.263 1.00 0.00 C ATOM 503 O TRP A 56 5.592 -7.846 6.032 1.00 0.00 O ATOM 504 CB TRP A 56 6.595 -5.135 7.159 1.00 0.00 C ATOM 505 CG TRP A 56 6.953 -4.139 8.222 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.852 -4.308 9.236 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.418 -2.820 8.379 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.903 -3.178 10.015 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.035 -2.250 9.509 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.479 -2.066 7.674 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.740 -0.959 9.945 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.189 -0.790 8.110 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.817 -0.246 9.234 1.00 0.00 C ATOM 0 H TRP A 56 6.500 -6.909 8.913 1.00 0.00 H new ATOM 0 HA TRP A 56 4.499 -5.264 7.669 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.430 -5.823 7.023 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.457 -4.610 6.214 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.438 -5.200 9.401 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.493 -3.051 10.838 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.988 -2.474 6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.224 -0.538 10.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.462 -0.199 7.572 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.568 0.757 9.546 1.00 0.00 H new ATOM 524 N HIS A 57 3.989 -6.364 5.496 1.00 0.00 N ATOM 525 CA HIS A 57 3.596 -7.053 4.269 1.00 0.00 C ATOM 526 C HIS A 57 3.241 -6.049 3.177 1.00 0.00 C ATOM 527 O HIS A 57 2.661 -5.001 3.455 1.00 0.00 O ATOM 528 CB HIS A 57 2.412 -7.990 4.521 1.00 0.00 C ATOM 529 CG HIS A 57 2.811 -9.326 5.067 1.00 0.00 C ATOM 530 ND1 HIS A 57 3.202 -10.378 4.265 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.878 -9.780 6.339 1.00 0.00 C ATOM 532 CE1 HIS A 57 3.494 -11.419 5.019 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.306 -11.084 6.284 1.00 0.00 N ATOM 0 H HIS A 57 3.441 -5.529 5.702 1.00 0.00 H new ATOM 0 HA HIS A 57 4.446 -7.650 3.937 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.724 -7.513 5.218 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.869 -8.136 3.587 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.257 -10.354 3.247 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.639 -9.221 7.232 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.830 -12.382 4.664 1.00 0.00 H new ATOM 541 N MET A 58 3.598 -6.376 1.938 1.00 0.00 N ATOM 542 CA MET A 58 3.339 -5.486 0.809 1.00 0.00 C ATOM 543 C MET A 58 1.880 -5.574 0.387 1.00 0.00 C ATOM 544 O MET A 58 1.292 -6.652 0.395 1.00 0.00 O ATOM 545 CB MET A 58 4.238 -5.825 -0.387 1.00 0.00 C ATOM 546 CG MET A 58 5.727 -5.705 -0.099 1.00 0.00 C ATOM 547 SD MET A 58 6.735 -5.746 -1.595 1.00 0.00 S ATOM 548 CE MET A 58 6.225 -7.304 -2.312 1.00 0.00 C ATOM 0 H MET A 58 4.066 -7.248 1.690 1.00 0.00 H new ATOM 0 HA MET A 58 3.563 -4.470 1.134 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.023 -6.843 -0.713 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.985 -5.165 -1.217 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.915 -4.773 0.435 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.031 -6.517 0.561 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.989 -7.652 -3.008 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.092 -8.042 -1.521 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.284 -7.169 -2.845 1.00 0.00 H new ATOM 558 N VAL A 59 1.302 -4.445 0.022 1.00 0.00 N ATOM 559 CA VAL A 59 -0.092 -4.399 -0.392 1.00 0.00 C ATOM 560 C VAL A 59 -0.213 -4.619 -1.897 1.00 0.00 C ATOM 561 O VAL A 59 0.518 -4.016 -2.686 1.00 0.00 O ATOM 562 CB VAL A 59 -0.752 -3.054 -0.015 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.217 -3.026 -0.432 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.625 -2.794 1.476 1.00 0.00 C ATOM 0 H VAL A 59 1.777 -3.543 0.003 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.612 -5.199 0.135 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.229 -2.264 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.656 -2.068 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.291 -3.160 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.754 -3.830 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.096 -1.842 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.117 -3.595 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.429 -2.758 1.751 1.00 0.00 H new ATOM 574 N CYS A 60 -1.120 -5.501 -2.285 1.00 0.00 N ATOM 575 CA CYS A 60 -1.400 -5.730 -3.691 1.00 0.00 C ATOM 576 C CYS A 60 -2.446 -4.719 -4.159 1.00 0.00 C ATOM 577 O CYS A 60 -3.436 -4.479 -3.463 1.00 0.00 O ATOM 578 CB CYS A 60 -1.889 -7.166 -3.900 1.00 0.00 C ATOM 579 SG CYS A 60 -1.921 -7.709 -5.639 1.00 0.00 S ATOM 0 H CYS A 60 -1.674 -6.070 -1.645 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.492 -5.597 -4.280 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.247 -7.841 -3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.893 -7.258 -3.485 1.00 0.00 H new ATOM 584 N SER A 61 -2.228 -4.139 -5.336 1.00 0.00 N ATOM 585 CA SER A 61 -3.050 -3.030 -5.824 1.00 0.00 C ATOM 586 C SER A 61 -4.414 -3.502 -6.342 1.00 0.00 C ATOM 587 O SER A 61 -5.136 -2.745 -6.989 1.00 0.00 O ATOM 588 CB SER A 61 -2.295 -2.272 -6.926 1.00 0.00 C ATOM 589 OG SER A 61 -2.968 -1.080 -7.290 1.00 0.00 O ATOM 0 H SER A 61 -1.484 -4.419 -5.975 1.00 0.00 H new ATOM 0 HA SER A 61 -3.241 -2.364 -4.983 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.289 -2.032 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.187 -2.912 -7.801 1.00 0.00 H new ATOM 0 HG SER A 61 -3.921 -1.269 -7.421 1.00 0.00 H new ATOM 595 N GLN A 62 -4.771 -4.743 -6.052 1.00 0.00 N ATOM 596 CA GLN A 62 -6.072 -5.266 -6.438 1.00 0.00 C ATOM 597 C GLN A 62 -6.867 -5.631 -5.185 1.00 0.00 C ATOM 598 O GLN A 62 -7.561 -6.644 -5.127 1.00 0.00 O ATOM 599 CB GLN A 62 -5.904 -6.466 -7.377 1.00 0.00 C ATOM 600 CG GLN A 62 -7.199 -6.937 -8.024 1.00 0.00 C ATOM 601 CD GLN A 62 -6.961 -7.796 -9.246 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.813 -9.091 -9.036 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -6.899 -7.297 -10.371 1.00 0.00 N flip ATOM 0 H GLN A 62 -4.179 -5.406 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.629 -4.504 -6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.194 -6.203 -8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.469 -7.294 -6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.780 -7.502 -7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.797 -6.070 -8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.019 -6.291 -10.490 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.728 -7.890 -11.183 1.00 0.00 H new ATOM 612 N SER A 63 -6.743 -4.779 -4.176 1.00 0.00 N ATOM 613 CA SER A 63 -7.444 -4.965 -2.919 1.00 0.00 C ATOM 614 C SER A 63 -8.696 -4.095 -2.880 1.00 0.00 C ATOM 615 O SER A 63 -8.816 -3.142 -3.653 1.00 0.00 O ATOM 616 CB SER A 63 -6.524 -4.601 -1.750 1.00 0.00 C ATOM 617 OG SER A 63 -5.400 -5.463 -1.698 1.00 0.00 O ATOM 0 H SER A 63 -6.156 -3.945 -4.208 1.00 0.00 H new ATOM 0 HA SER A 63 -7.738 -6.011 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.190 -3.569 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.078 -4.664 -0.814 1.00 0.00 H new ATOM 0 HG SER A 63 -4.707 -5.135 -2.309 1.00 0.00 H new ATOM 623 N TRP A 64 -9.610 -4.435 -1.973 1.00 0.00 N ATOM 624 CA TRP A 64 -10.850 -3.685 -1.763 1.00 0.00 C ATOM 625 C TRP A 64 -11.713 -3.665 -3.023 1.00 0.00 C ATOM 626 O TRP A 64 -12.527 -4.564 -3.245 1.00 0.00 O ATOM 627 CB TRP A 64 -10.549 -2.253 -1.300 1.00 0.00 C ATOM 628 CG TRP A 64 -9.723 -2.179 -0.049 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.120 -2.488 1.218 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.361 -1.751 0.052 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.091 -2.282 2.100 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.998 -1.832 1.409 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.409 -1.311 -0.873 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.731 -1.488 1.863 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.150 -0.970 -0.421 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.822 -1.061 0.935 1.00 0.00 C ATOM 0 H TRP A 64 -9.512 -5.243 -1.359 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.411 -4.195 -0.980 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.028 -1.725 -2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.491 -1.730 -1.133 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.103 -2.844 1.488 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.133 -2.438 3.107 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.654 -1.239 -1.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.474 -1.555 2.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.407 -0.628 -1.126 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.828 -0.788 1.257 1.00 0.00 H new ATOM 647 N GLY A 65 -11.525 -2.639 -3.835 1.00 0.00 N ATOM 648 CA GLY A 65 -12.221 -2.537 -5.097 1.00 0.00 C ATOM 649 C GLY A 65 -11.344 -1.896 -6.152 1.00 0.00 C ATOM 650 O GLY A 65 -11.813 -1.107 -6.973 1.00 0.00 O ATOM 0 H GLY A 65 -10.892 -1.864 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.528 -3.529 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.130 -1.949 -4.968 1.00 0.00 H new ATOM 654 N ARG A 66 -10.059 -2.221 -6.116 1.00 0.00 N ATOM 655 CA ARG A 66 -9.095 -1.649 -7.041 1.00 0.00 C ATOM 656 C ARG A 66 -8.497 -2.737 -7.923 1.00 0.00 C ATOM 657 O ARG A 66 -8.661 -3.926 -7.651 1.00 0.00 O ATOM 658 CB ARG A 66 -7.972 -0.946 -6.272 1.00 0.00 C ATOM 659 CG ARG A 66 -8.427 0.212 -5.396 1.00 0.00 C ATOM 660 CD ARG A 66 -8.931 1.397 -6.212 1.00 0.00 C ATOM 661 NE ARG A 66 -10.346 1.281 -6.569 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.170 2.322 -6.639 1.00 0.00 C ATOM 663 NH1 ARG A 66 -10.710 3.541 -6.400 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.443 2.156 -6.956 1.00 0.00 N ATOM 0 H ARG A 66 -9.660 -2.883 -5.450 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.613 -0.922 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.465 -1.680 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.238 -0.576 -6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.219 -0.130 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.598 0.535 -4.766 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.779 2.314 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.338 1.484 -7.122 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.719 0.354 -6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.727 3.678 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.338 4.343 -6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.803 1.221 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.065 2.963 -7.006 1.00 0.00 H new ATOM 677 N SER A 67 -7.808 -2.320 -8.970 1.00 0.00 N ATOM 678 CA SER A 67 -7.123 -3.239 -9.859 1.00 0.00 C ATOM 679 C SER A 67 -5.925 -2.528 -10.488 1.00 0.00 C ATOM 680 O SER A 67 -5.406 -1.569 -9.917 1.00 0.00 O ATOM 681 CB SER A 67 -8.086 -3.755 -10.934 1.00 0.00 C ATOM 682 OG SER A 67 -7.496 -4.792 -11.702 1.00 0.00 O ATOM 0 H SER A 67 -7.708 -1.338 -9.227 1.00 0.00 H new ATOM 0 HA SER A 67 -6.765 -4.100 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.997 -4.123 -10.462 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.376 -2.934 -11.590 1.00 0.00 H new ATOM 0 HG SER A 67 -8.134 -5.102 -12.378 1.00 0.00 H new ATOM 688 N SER A 68 -5.495 -2.981 -11.658 1.00 0.00 N ATOM 689 CA SER A 68 -4.358 -2.378 -12.344 1.00 0.00 C ATOM 690 C SER A 68 -4.767 -1.077 -13.047 1.00 0.00 C ATOM 691 O SER A 68 -4.621 -0.932 -14.262 1.00 0.00 O ATOM 692 CB SER A 68 -3.769 -3.372 -13.343 1.00 0.00 C ATOM 693 OG SER A 68 -3.438 -4.594 -12.698 1.00 0.00 O ATOM 0 H SER A 68 -5.917 -3.766 -12.154 1.00 0.00 H new ATOM 0 HA SER A 68 -3.597 -2.129 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.485 -3.559 -14.143 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.879 -2.946 -13.806 1.00 0.00 H new ATOM 0 HG SER A 68 -3.064 -5.219 -13.354 1.00 0.00 H new ATOM 699 N LYS A 69 -5.281 -0.140 -12.262 1.00 0.00 N ATOM 700 CA LYS A 69 -5.734 1.151 -12.764 1.00 0.00 C ATOM 701 C LYS A 69 -5.227 2.247 -11.836 1.00 0.00 C ATOM 702 O LYS A 69 -4.893 1.971 -10.683 1.00 0.00 O ATOM 703 CB LYS A 69 -7.269 1.191 -12.826 1.00 0.00 C ATOM 704 CG LYS A 69 -7.888 0.082 -13.670 1.00 0.00 C ATOM 705 CD LYS A 69 -7.591 0.262 -15.151 1.00 0.00 C ATOM 706 CE LYS A 69 -8.365 1.430 -15.743 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.837 1.229 -15.633 1.00 0.00 N ATOM 0 H LYS A 69 -5.396 -0.254 -11.255 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.343 1.305 -13.770 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.665 1.125 -11.812 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.581 2.155 -13.228 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.505 -0.883 -13.338 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.967 0.068 -13.515 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.522 0.426 -15.290 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.846 -0.652 -15.687 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.084 2.350 -15.230 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.092 1.553 -16.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.325 1.865 -16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.071 0.243 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.144 1.439 -14.662 1.00 0.00 H new ATOM 720 N GLN A 70 -5.163 3.481 -12.321 1.00 0.00 N ATOM 721 CA GLN A 70 -4.688 4.582 -11.498 1.00 0.00 C ATOM 722 C GLN A 70 -5.660 5.757 -11.528 1.00 0.00 C ATOM 723 O GLN A 70 -6.128 6.171 -12.590 1.00 0.00 O ATOM 724 CB GLN A 70 -3.296 5.029 -11.954 1.00 0.00 C ATOM 725 CG GLN A 70 -2.711 6.154 -11.116 1.00 0.00 C ATOM 726 CD GLN A 70 -1.270 6.450 -11.467 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.982 7.268 -12.342 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.349 5.789 -10.785 1.00 0.00 N ATOM 0 H GLN A 70 -5.431 3.741 -13.270 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.624 4.227 -10.470 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.621 4.174 -11.921 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.350 5.352 -12.993 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.308 7.055 -11.256 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.777 5.889 -10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.628 5.119 -10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.640 5.949 -10.976 1.00 0.00 H new ATOM 737 N TRP A 71 -5.960 6.284 -10.350 1.00 0.00 N ATOM 738 CA TRP A 71 -6.848 7.429 -10.219 1.00 0.00 C ATOM 739 C TRP A 71 -6.036 8.670 -9.866 1.00 0.00 C ATOM 740 O TRP A 71 -4.961 8.564 -9.273 1.00 0.00 O ATOM 741 CB TRP A 71 -7.900 7.170 -9.134 1.00 0.00 C ATOM 742 CG TRP A 71 -8.757 5.964 -9.395 1.00 0.00 C ATOM 743 CD1 TRP A 71 -8.526 4.686 -8.968 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.984 5.925 -10.133 1.00 0.00 C ATOM 745 NE1 TRP A 71 -9.533 3.858 -9.396 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.439 4.593 -10.113 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.745 6.886 -10.808 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.617 4.199 -10.741 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.914 6.492 -11.433 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.340 5.159 -11.395 1.00 0.00 C ATOM 0 H TRP A 71 -5.597 5.933 -9.464 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.359 7.588 -11.169 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.396 7.046 -8.175 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.541 8.047 -9.046 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.676 4.374 -8.380 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.596 2.857 -9.210 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.425 7.917 -10.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.949 3.172 -10.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -12.508 7.225 -11.959 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.258 4.883 -11.892 1.00 0.00 H new ATOM 761 N GLU A 72 -6.545 9.843 -10.221 1.00 0.00 N ATOM 762 CA GLU A 72 -5.851 11.096 -9.942 1.00 0.00 C ATOM 763 C GLU A 72 -6.158 11.580 -8.528 1.00 0.00 C ATOM 764 O GLU A 72 -6.394 12.769 -8.303 1.00 0.00 O ATOM 765 CB GLU A 72 -6.245 12.182 -10.953 1.00 0.00 C ATOM 766 CG GLU A 72 -5.951 11.828 -12.404 1.00 0.00 C ATOM 767 CD GLU A 72 -7.106 11.127 -13.095 1.00 0.00 C ATOM 768 OE1 GLU A 72 -8.010 10.618 -12.398 1.00 0.00 O ATOM 769 OE2 GLU A 72 -7.124 11.101 -14.344 1.00 0.00 O ATOM 0 H GLU A 72 -7.437 9.954 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.781 10.906 -10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.311 12.387 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.718 13.103 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.708 12.739 -12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.070 11.187 -12.443 1.00 0.00 H new ATOM 776 N ASP A 73 -6.161 10.653 -7.582 1.00 0.00 N ATOM 777 CA ASP A 73 -6.438 10.977 -6.192 1.00 0.00 C ATOM 778 C ASP A 73 -5.728 9.994 -5.265 1.00 0.00 C ATOM 779 O ASP A 73 -6.310 9.006 -4.820 1.00 0.00 O ATOM 780 CB ASP A 73 -7.945 10.968 -5.922 1.00 0.00 C ATOM 781 CG ASP A 73 -8.284 11.337 -4.490 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.515 12.099 -3.865 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.324 10.869 -3.984 1.00 0.00 O ATOM 0 H ASP A 73 -5.974 9.665 -7.754 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.060 11.980 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.436 11.667 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.344 9.978 -6.142 1.00 0.00 H new ATOM 788 N PRO A 74 -4.443 10.244 -4.983 1.00 0.00 N ATOM 789 CA PRO A 74 -3.648 9.410 -4.091 1.00 0.00 C ATOM 790 C PRO A 74 -3.696 9.916 -2.653 1.00 0.00 C ATOM 791 O PRO A 74 -2.996 9.407 -1.775 1.00 0.00 O ATOM 792 CB PRO A 74 -2.252 9.577 -4.674 1.00 0.00 C ATOM 793 CG PRO A 74 -2.221 10.987 -5.163 1.00 0.00 C ATOM 794 CD PRO A 74 -3.643 11.362 -5.522 1.00 0.00 C ATOM 0 HA PRO A 74 -3.994 8.378 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.483 9.400 -3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.073 8.871 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.829 11.653 -4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.567 11.080 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.932 12.314 -5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.771 11.464 -6.600 1.00 0.00 H new ATOM 802 N SER A 75 -4.553 10.904 -2.429 1.00 0.00 N ATOM 803 CA SER A 75 -4.631 11.608 -1.157 1.00 0.00 C ATOM 804 C SER A 75 -4.969 10.673 0.000 1.00 0.00 C ATOM 805 O SER A 75 -4.638 10.961 1.144 1.00 0.00 O ATOM 806 CB SER A 75 -5.682 12.708 -1.254 1.00 0.00 C ATOM 807 OG SER A 75 -5.650 13.319 -2.531 1.00 0.00 O ATOM 0 H SER A 75 -5.216 11.240 -3.128 1.00 0.00 H new ATOM 0 HA SER A 75 -3.650 12.037 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.672 12.290 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.504 13.457 -0.482 1.00 0.00 H new ATOM 0 HG SER A 75 -6.341 12.922 -3.101 1.00 0.00 H new ATOM 813 N GLN A 76 -5.613 9.550 -0.311 1.00 0.00 N ATOM 814 CA GLN A 76 -6.016 8.573 0.700 1.00 0.00 C ATOM 815 C GLN A 76 -4.841 8.125 1.572 1.00 0.00 C ATOM 816 O GLN A 76 -5.025 7.765 2.732 1.00 0.00 O ATOM 817 CB GLN A 76 -6.657 7.356 0.025 1.00 0.00 C ATOM 818 CG GLN A 76 -8.108 7.568 -0.376 1.00 0.00 C ATOM 819 CD GLN A 76 -9.025 7.656 0.829 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.254 8.731 1.374 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.560 6.520 1.254 1.00 0.00 N ATOM 0 H GLN A 76 -5.869 9.292 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.741 9.059 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.079 7.098 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.598 6.504 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.192 8.483 -0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.430 6.748 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.346 5.645 0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.185 6.521 2.060 1.00 0.00 H new ATOM 830 N ALA A 77 -3.632 8.180 1.026 1.00 0.00 N ATOM 831 CA ALA A 77 -2.451 7.707 1.739 1.00 0.00 C ATOM 832 C ALA A 77 -1.805 8.822 2.567 1.00 0.00 C ATOM 833 O ALA A 77 -0.581 8.879 2.701 1.00 0.00 O ATOM 834 CB ALA A 77 -1.448 7.119 0.758 1.00 0.00 C ATOM 0 H ALA A 77 -3.443 8.547 0.093 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.768 6.928 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.570 6.769 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.904 6.283 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.150 7.883 0.041 1.00 0.00 H new ATOM 840 N SER A 78 -2.643 9.693 3.129 1.00 0.00 N ATOM 841 CA SER A 78 -2.181 10.832 3.924 1.00 0.00 C ATOM 842 C SER A 78 -1.244 10.389 5.050 1.00 0.00 C ATOM 843 O SER A 78 -0.111 10.862 5.158 1.00 0.00 O ATOM 844 CB SER A 78 -3.379 11.559 4.540 1.00 0.00 C ATOM 845 OG SER A 78 -4.473 11.615 3.641 1.00 0.00 O ATOM 0 H SER A 78 -3.658 9.630 3.047 1.00 0.00 H new ATOM 0 HA SER A 78 -1.635 11.498 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.684 11.049 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.086 12.571 4.821 1.00 0.00 H new ATOM 0 HG SER A 78 -4.142 11.572 2.720 1.00 0.00 H new ATOM 851 N LYS A 79 -1.728 9.470 5.879 1.00 0.00 N ATOM 852 CA LYS A 79 -0.991 9.021 7.056 1.00 0.00 C ATOM 853 C LYS A 79 0.304 8.315 6.662 1.00 0.00 C ATOM 854 O LYS A 79 1.307 8.412 7.366 1.00 0.00 O ATOM 855 CB LYS A 79 -1.869 8.080 7.882 1.00 0.00 C ATOM 856 CG LYS A 79 -1.318 7.734 9.256 1.00 0.00 C ATOM 857 CD LYS A 79 -1.492 8.882 10.237 1.00 0.00 C ATOM 858 CE LYS A 79 -1.015 8.499 11.629 1.00 0.00 C ATOM 859 NZ LYS A 79 -1.212 9.600 12.609 1.00 0.00 N ATOM 0 H LYS A 79 -2.634 9.018 5.756 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.729 9.896 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.851 8.537 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.015 7.157 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.825 6.848 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.260 7.485 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.935 9.750 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.542 9.172 10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.554 7.613 11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.041 8.234 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.874 9.297 13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.677 10.438 12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.223 9.837 12.667 1.00 0.00 H new ATOM 872 N VAL A 80 0.281 7.625 5.524 1.00 0.00 N ATOM 873 CA VAL A 80 1.429 6.840 5.080 1.00 0.00 C ATOM 874 C VAL A 80 2.625 7.740 4.802 1.00 0.00 C ATOM 875 O VAL A 80 3.674 7.599 5.432 1.00 0.00 O ATOM 876 CB VAL A 80 1.109 6.016 3.812 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.327 5.220 3.371 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.078 5.091 4.048 1.00 0.00 C ATOM 0 H VAL A 80 -0.520 7.594 4.893 1.00 0.00 H new ATOM 0 HA VAL A 80 1.670 6.150 5.889 1.00 0.00 H new ATOM 0 HB VAL A 80 0.843 6.711 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.083 4.646 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.148 5.903 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.625 4.539 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.282 4.523 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.152 4.404 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.955 5.684 4.310 1.00 0.00 H new ATOM 888 N CYS A 81 2.455 8.680 3.882 1.00 0.00 N ATOM 889 CA CYS A 81 3.537 9.578 3.502 1.00 0.00 C ATOM 890 C CYS A 81 3.996 10.406 4.698 1.00 0.00 C ATOM 891 O CYS A 81 5.196 10.619 4.897 1.00 0.00 O ATOM 892 CB CYS A 81 3.091 10.505 2.369 1.00 0.00 C ATOM 893 SG CYS A 81 2.668 9.654 0.812 1.00 0.00 S ATOM 0 H CYS A 81 1.579 8.840 3.385 1.00 0.00 H new ATOM 0 HA CYS A 81 4.373 8.971 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.224 11.074 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.887 11.223 2.170 1.00 0.00 H new ATOM 898 N GLN A 82 3.037 10.837 5.509 1.00 0.00 N ATOM 899 CA GLN A 82 3.322 11.716 6.634 1.00 0.00 C ATOM 900 C GLN A 82 4.139 10.998 7.706 1.00 0.00 C ATOM 901 O GLN A 82 5.141 11.529 8.186 1.00 0.00 O ATOM 902 CB GLN A 82 2.017 12.250 7.230 1.00 0.00 C ATOM 903 CG GLN A 82 2.209 13.395 8.214 1.00 0.00 C ATOM 904 CD GLN A 82 2.865 14.607 7.577 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.191 15.478 7.028 1.00 0.00 O ATOM 906 NE2 GLN A 82 4.183 14.676 7.659 1.00 0.00 N ATOM 0 H GLN A 82 2.053 10.590 5.407 1.00 0.00 H new ATOM 0 HA GLN A 82 3.915 12.553 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.370 12.586 6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.499 11.434 7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.241 13.684 8.624 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.820 13.053 9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.705 13.932 8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.678 15.473 7.258 1.00 0.00 H new ATOM 915 N ARG A 83 3.722 9.791 8.077 1.00 0.00 N ATOM 916 CA ARG A 83 4.429 9.028 9.104 1.00 0.00 C ATOM 917 C ARG A 83 5.741 8.480 8.563 1.00 0.00 C ATOM 918 O ARG A 83 6.649 8.142 9.326 1.00 0.00 O ATOM 919 CB ARG A 83 3.553 7.890 9.642 1.00 0.00 C ATOM 920 CG ARG A 83 2.359 8.375 10.449 1.00 0.00 C ATOM 921 CD ARG A 83 2.782 8.988 11.778 1.00 0.00 C ATOM 922 NE ARG A 83 2.911 7.988 12.836 1.00 0.00 N ATOM 923 CZ ARG A 83 4.056 7.682 13.436 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.201 8.171 12.983 1.00 0.00 N ATOM 925 NH2 ARG A 83 4.065 6.855 14.471 1.00 0.00 N ATOM 0 H ARG A 83 2.905 9.322 7.686 1.00 0.00 H new ATOM 0 HA ARG A 83 4.653 9.705 9.929 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.196 7.290 8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.162 7.237 10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.805 9.113 9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.682 7.541 10.633 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.734 9.503 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.051 9.739 12.078 1.00 0.00 H new ATOM 0 HE ARG A 83 2.069 7.494 13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.207 8.786 12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.077 7.932 13.448 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.191 6.452 14.809 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.946 6.622 14.930 1.00 0.00 H new ATOM 938 N LEU A 84 5.836 8.401 7.244 1.00 0.00 N ATOM 939 CA LEU A 84 7.063 7.990 6.591 1.00 0.00 C ATOM 940 C LEU A 84 8.141 9.050 6.792 1.00 0.00 C ATOM 941 O LEU A 84 9.200 8.761 7.353 1.00 0.00 O ATOM 942 CB LEU A 84 6.811 7.767 5.097 1.00 0.00 C ATOM 943 CG LEU A 84 8.039 7.387 4.272 1.00 0.00 C ATOM 944 CD1 LEU A 84 8.473 5.961 4.574 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.751 7.564 2.791 1.00 0.00 C ATOM 0 H LEU A 84 5.072 8.618 6.605 1.00 0.00 H new ATOM 0 HA LEU A 84 7.405 7.054 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.063 6.982 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.382 8.678 4.679 1.00 0.00 H new ATOM 0 HG LEU A 84 8.860 8.050 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.349 5.713 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.720 5.872 5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.662 5.275 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.634 7.290 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.916 6.924 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.496 8.605 2.592 1.00 0.00 H new ATOM 957 N ASN A 85 7.822 10.287 6.377 1.00 0.00 N ATOM 958 CA ASN A 85 8.766 11.417 6.390 1.00 0.00 C ATOM 959 C ASN A 85 8.327 12.494 5.403 1.00 0.00 C ATOM 960 O ASN A 85 8.521 13.686 5.634 1.00 0.00 O ATOM 961 CB ASN A 85 10.193 10.972 6.021 1.00 0.00 C ATOM 962 CG ASN A 85 11.161 12.137 5.902 1.00 0.00 C ATOM 963 OD1 ASN A 85 11.709 12.607 6.898 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.398 12.588 4.678 1.00 0.00 N ATOM 0 H ASN A 85 6.898 10.532 6.021 1.00 0.00 H new ATOM 0 HA ASN A 85 8.768 11.814 7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.559 10.277 6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.167 10.430 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.057 13.354 4.535 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.922 12.169 3.879 1.00 0.00 H new ATOM 971 N CYS A 86 7.724 12.060 4.307 1.00 0.00 N ATOM 972 CA CYS A 86 7.452 12.933 3.179 1.00 0.00 C ATOM 973 C CYS A 86 6.143 13.704 3.347 1.00 0.00 C ATOM 974 O CYS A 86 5.441 13.548 4.346 1.00 0.00 O ATOM 975 CB CYS A 86 7.419 12.093 1.904 1.00 0.00 C ATOM 976 SG CYS A 86 8.923 11.099 1.653 1.00 0.00 S ATOM 0 H CYS A 86 7.411 11.098 4.176 1.00 0.00 H new ATOM 0 HA CYS A 86 8.246 13.677 3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.555 11.429 1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.281 12.752 1.047 1.00 0.00 H new ATOM 981 N GLY A 87 5.827 14.538 2.363 1.00 0.00 N ATOM 982 CA GLY A 87 4.619 15.338 2.420 1.00 0.00 C ATOM 983 C GLY A 87 3.418 14.630 1.824 1.00 0.00 C ATOM 984 O GLY A 87 3.160 13.469 2.133 1.00 0.00 O ATOM 0 H GLY A 87 6.389 14.674 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.406 15.594 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.784 16.275 1.888 1.00 0.00 H new ATOM 988 N ASP A 88 2.683 15.329 0.968 1.00 0.00 N ATOM 989 CA ASP A 88 1.504 14.759 0.318 1.00 0.00 C ATOM 990 C ASP A 88 1.898 13.758 -0.765 1.00 0.00 C ATOM 991 O ASP A 88 3.016 13.795 -1.286 1.00 0.00 O ATOM 992 CB ASP A 88 0.625 15.864 -0.285 1.00 0.00 C ATOM 993 CG ASP A 88 -0.294 16.513 0.735 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.433 16.026 0.915 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.108 17.522 1.351 1.00 0.00 O ATOM 0 H ASP A 88 2.881 16.294 0.706 1.00 0.00 H new ATOM 0 HA ASP A 88 0.932 14.232 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.264 16.628 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.024 15.443 -1.092 1.00 0.00 H new ATOM 1000 N PRO A 89 0.982 12.835 -1.099 1.00 0.00 N ATOM 1001 CA PRO A 89 1.209 11.810 -2.111 1.00 0.00 C ATOM 1002 C PRO A 89 0.989 12.335 -3.529 1.00 0.00 C ATOM 1003 O PRO A 89 0.023 13.048 -3.799 1.00 0.00 O ATOM 1004 CB PRO A 89 0.168 10.728 -1.776 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.617 11.237 -0.604 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.352 12.709 -0.513 1.00 0.00 C ATOM 0 HA PRO A 89 2.237 11.449 -2.094 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.485 10.542 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.655 9.783 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.681 11.043 -0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.314 10.732 0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.092 13.288 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.376 13.061 0.518 1.00 0.00 H new ATOM 1014 N LEU A 90 1.894 11.974 -4.429 1.00 0.00 N ATOM 1015 CA LEU A 90 1.818 12.398 -5.822 1.00 0.00 C ATOM 1016 C LEU A 90 1.053 11.390 -6.667 1.00 0.00 C ATOM 1017 O LEU A 90 0.154 11.752 -7.425 1.00 0.00 O ATOM 1018 CB LEU A 90 3.225 12.575 -6.399 1.00 0.00 C ATOM 1019 CG LEU A 90 3.993 13.802 -5.905 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.420 13.785 -6.438 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.287 15.078 -6.336 1.00 0.00 C ATOM 0 H LEU A 90 2.697 11.382 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 90 1.286 13.349 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.809 11.685 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.149 12.630 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 90 4.027 13.773 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.953 14.665 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.928 12.885 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.401 13.793 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.846 15.942 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.227 15.111 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.281 15.097 -5.917 1.00 0.00 H new ATOM 1033 N SER A 91 1.421 10.126 -6.545 1.00 0.00 N ATOM 1034 CA SER A 91 0.795 9.076 -7.328 1.00 0.00 C ATOM 1035 C SER A 91 0.646 7.800 -6.508 1.00 0.00 C ATOM 1036 O SER A 91 1.485 7.490 -5.658 1.00 0.00 O ATOM 1037 CB SER A 91 1.599 8.815 -8.606 1.00 0.00 C ATOM 1038 OG SER A 91 2.997 8.855 -8.356 1.00 0.00 O ATOM 0 H SER A 91 2.151 9.802 -5.910 1.00 0.00 H new ATOM 0 HA SER A 91 -0.204 9.407 -7.611 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.329 7.842 -9.015 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.341 9.560 -9.359 1.00 0.00 H new ATOM 0 HG SER A 91 3.483 8.683 -9.189 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.441 7.082 -6.761 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.730 5.838 -6.069 1.00 0.00 C ATOM 1046 C LEU A 92 -1.340 4.860 -7.065 1.00 0.00 C ATOM 1047 O LEU A 92 -2.230 5.225 -7.832 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.692 6.107 -4.895 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.864 4.971 -3.872 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.445 5.516 -2.575 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.775 3.879 -4.410 1.00 0.00 C ATOM 0 H LEU A 92 -1.144 7.347 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 92 0.184 5.407 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.343 6.993 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.673 6.347 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.880 4.543 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.562 4.703 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.773 6.268 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.417 5.968 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.877 3.090 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.756 4.299 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.346 3.463 -5.322 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.835 3.638 -7.082 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.366 2.628 -7.975 1.00 0.00 C ATOM 1065 C GLY A 93 -0.350 1.542 -8.248 1.00 0.00 C ATOM 1066 O GLY A 93 0.628 1.432 -7.518 1.00 0.00 O ATOM 0 H GLY A 93 -0.064 3.325 -6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.262 2.188 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.665 3.092 -8.915 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.547 0.722 -9.289 1.00 0.00 N ATOM 1071 CA PRO A 94 0.413 -0.321 -9.662 1.00 0.00 C ATOM 1072 C PRO A 94 1.745 0.276 -10.119 1.00 0.00 C ATOM 1073 O PRO A 94 1.879 0.725 -11.261 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.274 -1.063 -10.818 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.707 -0.655 -10.756 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.717 0.732 -10.180 1.00 0.00 C ATOM 0 HA PRO A 94 0.657 -0.973 -8.823 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.170 -0.794 -11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.168 -2.142 -10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.160 -0.669 -11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.281 -1.341 -10.133 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.629 1.493 -10.955 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.639 0.937 -9.635 1.00 0.00 H new ATOM 1084 N PHE A 95 2.720 0.286 -9.216 1.00 0.00 N ATOM 1085 CA PHE A 95 4.022 0.880 -9.495 1.00 0.00 C ATOM 1086 C PHE A 95 4.934 -0.137 -10.163 1.00 0.00 C ATOM 1087 O PHE A 95 5.396 0.070 -11.282 1.00 0.00 O ATOM 1088 CB PHE A 95 4.661 1.387 -8.198 1.00 0.00 C ATOM 1089 CG PHE A 95 5.901 2.213 -8.403 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.809 3.532 -8.816 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.156 1.675 -8.169 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.945 4.299 -8.993 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.295 2.435 -8.347 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.190 3.748 -8.758 1.00 0.00 C ATOM 0 H PHE A 95 2.632 -0.112 -8.281 1.00 0.00 H new ATOM 0 HA PHE A 95 3.882 1.723 -10.172 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.928 1.982 -7.653 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.908 0.532 -7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.838 3.966 -9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.245 0.649 -7.844 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.860 5.327 -9.314 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.267 2.002 -8.165 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.080 4.344 -8.896 1.00 0.00 H new ATOM 1104 N LEU A 96 5.176 -1.235 -9.471 1.00 0.00 N ATOM 1105 CA LEU A 96 5.996 -2.311 -10.001 1.00 0.00 C ATOM 1106 C LEU A 96 5.220 -3.614 -9.955 1.00 0.00 C ATOM 1107 O LEU A 96 4.238 -3.733 -9.220 1.00 0.00 O ATOM 1108 CB LEU A 96 7.297 -2.458 -9.205 1.00 0.00 C ATOM 1109 CG LEU A 96 8.283 -1.293 -9.336 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.519 -1.542 -8.488 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.677 -1.081 -10.791 1.00 0.00 C ATOM 0 H LEU A 96 4.813 -1.407 -8.533 1.00 0.00 H new ATOM 0 HA LEU A 96 6.252 -2.069 -11.033 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.046 -2.583 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.797 -3.372 -9.524 1.00 0.00 H new ATOM 0 HG LEU A 96 7.790 -0.390 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.208 -0.704 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.228 -1.643 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.009 -2.458 -8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.378 -0.249 -10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.148 -1.985 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.788 -0.857 -11.380 1.00 0.00 H new ATOM 1123 N LYS A 97 5.656 -4.588 -10.732 1.00 0.00 N ATOM 1124 CA LYS A 97 5.020 -5.893 -10.741 1.00 0.00 C ATOM 1125 C LYS A 97 5.990 -6.961 -10.253 1.00 0.00 C ATOM 1126 O LYS A 97 6.445 -7.816 -11.015 1.00 0.00 O ATOM 1127 CB LYS A 97 4.471 -6.229 -12.136 1.00 0.00 C ATOM 1128 CG LYS A 97 5.474 -6.055 -13.266 1.00 0.00 C ATOM 1129 CD LYS A 97 4.830 -6.293 -14.618 1.00 0.00 C ATOM 1130 CE LYS A 97 5.801 -6.010 -15.749 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.153 -6.122 -17.080 1.00 0.00 N ATOM 0 H LYS A 97 6.450 -4.500 -11.367 1.00 0.00 H new ATOM 0 HA LYS A 97 4.173 -5.868 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.119 -7.260 -12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.606 -5.597 -12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.892 -5.049 -13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.303 -6.749 -13.129 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.485 -7.325 -14.682 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.952 -5.656 -14.722 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.214 -5.008 -15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.636 -6.708 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.851 -5.921 -17.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.781 -7.085 -17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.372 -5.438 -17.144 1.00 0.00 H new ATOM 1144 N THR A 98 6.312 -6.890 -8.968 1.00 0.00 N ATOM 1145 CA THR A 98 7.182 -7.863 -8.331 1.00 0.00 C ATOM 1146 C THR A 98 6.503 -9.231 -8.291 1.00 0.00 C ATOM 1147 O THR A 98 7.174 -10.262 -8.355 1.00 0.00 O ATOM 1148 CB THR A 98 7.535 -7.408 -6.901 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.965 -6.039 -6.928 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.632 -8.275 -6.299 1.00 0.00 C ATOM 0 H THR A 98 5.977 -6.158 -8.342 1.00 0.00 H new ATOM 0 HA THR A 98 8.101 -7.942 -8.912 1.00 0.00 H new ATOM 0 HB THR A 98 6.644 -7.508 -6.281 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.188 -5.748 -6.019 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.858 -7.928 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.296 -9.311 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.529 -8.207 -6.915 1.00 0.00 H new ATOM 1158 N TYR A 99 5.173 -9.217 -8.222 1.00 0.00 N ATOM 1159 CA TYR A 99 4.366 -10.440 -8.268 1.00 0.00 C ATOM 1160 C TYR A 99 4.902 -11.489 -7.297 1.00 0.00 C ATOM 1161 O TYR A 99 5.346 -12.567 -7.699 1.00 0.00 O ATOM 1162 CB TYR A 99 4.330 -10.997 -9.699 1.00 0.00 C ATOM 1163 CG TYR A 99 3.282 -12.071 -9.926 1.00 0.00 C ATOM 1164 CD1 TYR A 99 1.931 -11.749 -9.993 1.00 0.00 C ATOM 1165 CD2 TYR A 99 3.645 -13.405 -10.086 1.00 0.00 C ATOM 1166 CE1 TYR A 99 0.975 -12.723 -10.208 1.00 0.00 C ATOM 1167 CE2 TYR A 99 2.694 -14.382 -10.305 1.00 0.00 C ATOM 1168 CZ TYR A 99 1.361 -14.037 -10.366 1.00 0.00 C ATOM 1169 OH TYR A 99 0.411 -15.007 -10.589 1.00 0.00 O ATOM 0 H TYR A 99 4.624 -8.362 -8.133 1.00 0.00 H new ATOM 0 HA TYR A 99 3.350 -10.191 -7.962 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.147 -10.175 -10.391 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.311 -11.406 -9.942 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.624 -10.720 -9.875 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.688 -13.681 -10.038 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.071 -12.456 -10.252 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.994 -15.412 -10.428 1.00 0.00 H new ATOM 0 HH TYR A 99 0.849 -15.879 -10.679 1.00 0.00 H new ATOM 1179 N THR A 100 4.885 -11.153 -6.019 1.00 0.00 N ATOM 1180 CA THR A 100 5.302 -12.074 -4.981 1.00 0.00 C ATOM 1181 C THR A 100 4.183 -12.276 -3.962 1.00 0.00 C ATOM 1182 O THR A 100 4.136 -11.601 -2.931 1.00 0.00 O ATOM 1183 CB THR A 100 6.579 -11.579 -4.271 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.507 -10.161 -4.058 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.819 -11.911 -5.086 1.00 0.00 C ATOM 0 H THR A 100 4.584 -10.241 -5.675 1.00 0.00 H new ATOM 0 HA THR A 100 5.525 -13.029 -5.457 1.00 0.00 H new ATOM 0 HB THR A 100 6.650 -12.088 -3.310 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.665 -9.940 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.705 -11.551 -4.563 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.889 -12.991 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.753 -11.429 -6.062 1.00 0.00 H new ATOM 1193 N PRO A 101 3.255 -13.206 -4.250 1.00 0.00 N ATOM 1194 CA PRO A 101 2.101 -13.486 -3.382 1.00 0.00 C ATOM 1195 C PRO A 101 2.516 -13.896 -1.973 1.00 0.00 C ATOM 1196 O PRO A 101 1.755 -13.735 -1.023 1.00 0.00 O ATOM 1197 CB PRO A 101 1.390 -14.647 -4.088 1.00 0.00 C ATOM 1198 CG PRO A 101 1.841 -14.567 -5.503 1.00 0.00 C ATOM 1199 CD PRO A 101 3.252 -14.059 -5.450 1.00 0.00 C ATOM 0 HA PRO A 101 1.475 -12.604 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.658 -15.605 -3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.307 -14.552 -4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.794 -15.544 -5.985 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.204 -13.896 -6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.971 -14.874 -5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.511 -13.495 -6.346 1.00 0.00 H new ATOM 1207 N GLN A 102 3.733 -14.416 -1.856 1.00 0.00 N ATOM 1208 CA GLN A 102 4.276 -14.849 -0.573 1.00 0.00 C ATOM 1209 C GLN A 102 4.503 -13.653 0.355 1.00 0.00 C ATOM 1210 O GLN A 102 4.385 -13.764 1.577 1.00 0.00 O ATOM 1211 CB GLN A 102 5.596 -15.595 -0.795 1.00 0.00 C ATOM 1212 CG GLN A 102 6.235 -16.120 0.480 1.00 0.00 C ATOM 1213 CD GLN A 102 7.637 -16.645 0.246 1.00 0.00 C ATOM 1214 OE1 GLN A 102 8.349 -16.174 -0.639 1.00 0.00 O ATOM 1215 NE2 GLN A 102 8.046 -17.617 1.042 1.00 0.00 N ATOM 0 H GLN A 102 4.368 -14.549 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 102 3.556 -15.517 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.419 -16.432 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.299 -14.927 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.267 -15.323 1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.616 -16.916 0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.424 -17.980 1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.984 -18.004 0.934 1.00 0.00 H new ATOM 1224 N SER A 103 4.823 -12.511 -0.230 1.00 0.00 N ATOM 1225 CA SER A 103 5.135 -11.322 0.545 1.00 0.00 C ATOM 1226 C SER A 103 3.952 -10.359 0.564 1.00 0.00 C ATOM 1227 O SER A 103 3.707 -9.679 1.566 1.00 0.00 O ATOM 1228 CB SER A 103 6.374 -10.631 -0.037 1.00 0.00 C ATOM 1229 OG SER A 103 6.736 -9.490 0.718 1.00 0.00 O ATOM 0 H SER A 103 4.874 -12.382 -1.241 1.00 0.00 H new ATOM 0 HA SER A 103 5.343 -11.623 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.207 -11.334 -0.058 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.178 -10.338 -1.068 1.00 0.00 H new ATOM 0 HG SER A 103 7.530 -9.074 0.322 1.00 0.00 H new ATOM 1235 N SER A 104 3.210 -10.324 -0.531 1.00 0.00 N ATOM 1236 CA SER A 104 2.126 -9.368 -0.680 1.00 0.00 C ATOM 1237 C SER A 104 0.818 -9.896 -0.097 1.00 0.00 C ATOM 1238 O SER A 104 0.615 -11.105 0.039 1.00 0.00 O ATOM 1239 CB SER A 104 1.949 -9.000 -2.157 1.00 0.00 C ATOM 1240 OG SER A 104 1.834 -10.156 -2.968 1.00 0.00 O ATOM 0 H SER A 104 3.339 -10.946 -1.329 1.00 0.00 H new ATOM 0 HA SER A 104 2.391 -8.473 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.060 -8.381 -2.275 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.799 -8.404 -2.489 1.00 0.00 H new ATOM 0 HG SER A 104 2.706 -10.600 -3.031 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.061 -8.973 0.259 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.364 -9.311 0.800 1.00 0.00 C ATOM 1248 C ILE A 105 -2.468 -8.608 0.020 1.00 0.00 C ATOM 1249 O ILE A 105 -2.256 -7.540 -0.563 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.491 -8.922 2.292 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.171 -7.434 2.482 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.588 -9.793 3.158 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.427 -6.923 3.883 1.00 0.00 C ATOM 0 H ILE A 105 0.110 -7.970 0.181 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.469 -10.392 0.709 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.520 -9.094 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.125 -7.263 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.768 -6.852 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.694 -9.501 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.872 -10.839 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.449 -9.663 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.176 -5.863 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.479 -7.060 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.810 -7.477 4.591 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.636 -9.217 0.012 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.818 -8.605 -0.566 1.00 0.00 C ATOM 1267 C ILE A 106 -5.852 -8.403 0.528 1.00 0.00 C ATOM 1268 O ILE A 106 -6.069 -9.288 1.359 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.394 -9.445 -1.737 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.799 -8.954 -3.059 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.918 -9.388 -1.784 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.197 -9.785 -4.255 1.00 0.00 C ATOM 0 H ILE A 106 -3.794 -10.146 0.404 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.542 -7.639 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.117 -10.487 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.110 -7.923 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.712 -8.949 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.279 -9.989 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.326 -9.779 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.240 -8.355 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.736 -9.374 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.861 -10.812 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.281 -9.770 -4.364 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.458 -7.233 0.549 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.382 -6.892 1.612 1.00 0.00 C ATOM 1286 C CYS A 107 -8.772 -6.633 1.052 1.00 0.00 C ATOM 1287 O CYS A 107 -8.928 -6.350 -0.137 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.875 -5.670 2.380 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.495 -5.580 4.087 1.00 0.00 S ATOM 0 H CYS A 107 -6.328 -6.505 -0.154 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.445 -7.735 2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.785 -5.688 2.398 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.170 -4.767 1.846 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.776 -6.747 1.910 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.161 -6.571 1.507 1.00 0.00 C ATOM 1296 C TYR A 108 -11.839 -5.510 2.365 1.00 0.00 C ATOM 1297 O TYR A 108 -11.463 -5.302 3.519 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.919 -7.896 1.617 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.418 -8.959 0.666 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.763 -8.924 -0.678 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.605 -9.997 1.107 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.310 -9.888 -1.555 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.147 -10.966 0.234 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.505 -10.906 -1.098 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.056 -11.867 -1.975 1.00 0.00 O ATOM 0 H TYR A 108 -9.653 -6.963 2.899 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.176 -6.240 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.839 -8.267 2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.977 -7.717 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.396 -8.129 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.327 -10.047 2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.587 -9.844 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.514 -11.764 0.591 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.498 -12.514 -1.494 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.843 -4.849 1.808 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.542 -3.818 2.546 1.00 0.00 C ATOM 1317 C GLY A 109 -13.474 -2.470 1.862 1.00 0.00 C ATOM 1318 O GLY A 109 -13.333 -2.395 0.640 1.00 0.00 O ATOM 0 H GLY A 109 -13.185 -5.008 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.586 -4.107 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.114 -3.737 3.545 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.556 -1.408 2.652 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.545 -0.047 2.128 1.00 0.00 C ATOM 1324 C GLN A 110 -12.111 0.376 1.811 1.00 0.00 C ATOM 1325 O GLN A 110 -11.204 0.152 2.617 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.182 0.900 3.160 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.692 2.219 2.584 1.00 0.00 C ATOM 1328 CD GLN A 110 -13.593 3.221 2.278 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -12.549 3.229 3.091 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -13.696 4.003 1.329 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.632 -1.463 3.668 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.124 -0.001 1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.012 0.384 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.448 1.117 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.249 2.014 1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.392 2.666 3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.517 3.966 0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.961 4.687 1.149 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.919 0.974 0.631 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.603 1.434 0.178 1.00 0.00 C ATOM 1341 C LEU A 111 -9.929 2.328 1.216 1.00 0.00 C ATOM 1342 O LEU A 111 -10.235 3.518 1.327 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.737 2.196 -1.147 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.452 2.862 -1.664 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.416 1.820 -2.062 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.760 3.782 -2.834 1.00 0.00 C ATOM 0 H LEU A 111 -12.670 1.152 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.979 0.552 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.098 1.504 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.500 2.965 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.034 3.460 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.518 2.320 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.166 1.206 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.822 1.187 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.838 4.244 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.208 3.205 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.455 4.558 -2.514 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.007 1.746 1.968 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.307 2.491 2.988 1.00 0.00 C ATOM 1360 C GLY A 112 -8.292 1.774 4.319 1.00 0.00 C ATOM 1361 O GLY A 112 -7.449 2.055 5.173 1.00 0.00 O ATOM 0 H GLY A 112 -8.732 0.767 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.282 2.670 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.778 3.466 3.109 1.00 0.00 H new ATOM 1365 N SER A 113 -9.221 0.847 4.502 1.00 0.00 N ATOM 1366 CA SER A 113 -9.323 0.119 5.749 1.00 0.00 C ATOM 1367 C SER A 113 -8.844 -1.314 5.569 1.00 0.00 C ATOM 1368 O SER A 113 -9.442 -2.092 4.824 1.00 0.00 O ATOM 1369 CB SER A 113 -10.766 0.131 6.255 1.00 0.00 C ATOM 1370 OG SER A 113 -10.823 -0.196 7.632 1.00 0.00 O ATOM 0 H SER A 113 -9.913 0.584 3.800 1.00 0.00 H new ATOM 0 HA SER A 113 -8.688 0.609 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.204 1.116 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.362 -0.581 5.683 1.00 0.00 H new ATOM 0 HG SER A 113 -10.418 0.526 8.157 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.765 -1.658 6.251 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.241 -3.016 6.227 1.00 0.00 C ATOM 1378 C PHE A 114 -7.946 -3.845 7.296 1.00 0.00 C ATOM 1379 O PHE A 114 -7.312 -4.462 8.150 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.722 -3.014 6.460 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.934 -2.333 5.375 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.744 -0.958 5.391 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.376 -3.068 4.341 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.015 -0.332 4.398 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.648 -2.447 3.346 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.467 -1.077 3.376 1.00 0.00 C ATOM 0 H PHE A 114 -7.231 -1.012 6.832 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.428 -3.456 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.512 -2.522 7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.378 -4.044 6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.171 -0.370 6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.512 -4.139 4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.875 0.739 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.220 -3.031 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.896 -0.590 2.599 1.00 0.00 H new ATOM 1396 N SER A 115 -9.273 -3.834 7.247 1.00 0.00 N ATOM 1397 CA SER A 115 -10.088 -4.485 8.259 1.00 0.00 C ATOM 1398 C SER A 115 -10.017 -6.007 8.151 1.00 0.00 C ATOM 1399 O SER A 115 -10.105 -6.711 9.158 1.00 0.00 O ATOM 1400 CB SER A 115 -11.537 -3.998 8.153 1.00 0.00 C ATOM 1401 OG SER A 115 -11.994 -4.032 6.810 1.00 0.00 O ATOM 0 H SER A 115 -9.809 -3.376 6.509 1.00 0.00 H new ATOM 0 HA SER A 115 -9.692 -4.215 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.179 -4.622 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.611 -2.981 8.539 1.00 0.00 H new ATOM 0 HG SER A 115 -12.922 -3.718 6.772 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.845 -6.510 6.936 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.754 -7.947 6.712 1.00 0.00 C ATOM 1409 C ASN A 116 -8.892 -8.242 5.490 1.00 0.00 C ATOM 1410 O ASN A 116 -9.367 -8.199 4.353 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.150 -8.552 6.529 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.120 -10.065 6.413 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.242 -10.727 6.971 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.077 -10.626 5.690 1.00 0.00 N ATOM 0 H ASN A 116 -9.766 -5.945 6.091 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.289 -8.401 7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.778 -8.268 7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.610 -8.132 5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.105 -11.640 5.580 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.786 -10.045 5.244 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.619 -8.519 5.726 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.693 -8.812 4.643 1.00 0.00 C ATOM 1423 C CYS A 117 -6.201 -10.253 4.753 1.00 0.00 C ATOM 1424 O CYS A 117 -6.331 -10.877 5.806 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.500 -7.852 4.685 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.904 -6.150 5.220 1.00 0.00 S ATOM 0 H CYS A 117 -7.204 -8.547 6.657 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.215 -8.682 3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.746 -8.260 5.358 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.051 -7.809 3.693 1.00 0.00 H new ATOM 1431 N SER A 118 -5.656 -10.788 3.669 1.00 0.00 N ATOM 1432 CA SER A 118 -5.145 -12.152 3.670 1.00 0.00 C ATOM 1433 C SER A 118 -3.949 -12.293 2.727 1.00 0.00 C ATOM 1434 O SER A 118 -3.685 -11.409 1.905 1.00 0.00 O ATOM 1435 CB SER A 118 -6.260 -13.124 3.270 1.00 0.00 C ATOM 1436 OG SER A 118 -7.363 -13.027 4.159 1.00 0.00 O ATOM 0 H SER A 118 -5.556 -10.299 2.779 1.00 0.00 H new ATOM 0 HA SER A 118 -4.805 -12.393 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.588 -12.908 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.876 -14.144 3.271 1.00 0.00 H new ATOM 0 HG SER A 118 -8.062 -13.655 3.882 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.228 -13.404 2.871 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.084 -13.728 2.019 1.00 0.00 C ATOM 1444 C HIS A 119 -2.520 -13.770 0.556 1.00 0.00 C ATOM 1445 O HIS A 119 -3.545 -14.370 0.231 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.507 -15.084 2.448 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.291 -15.527 1.691 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.345 -16.405 0.628 1.00 0.00 N ATOM 1449 CD2 HIS A 119 1.020 -15.249 1.879 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.877 -16.649 0.198 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.723 -15.961 0.938 1.00 0.00 N ATOM 0 H HIS A 119 -3.421 -14.107 3.584 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.316 -12.962 2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.258 -15.036 3.508 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.282 -15.843 2.336 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.198 -16.803 0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.435 -14.591 2.628 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.140 -17.302 -0.621 1.00 0.00 H new ATOM 1459 N SER A 120 -1.753 -13.129 -0.316 1.00 0.00 N ATOM 1460 CA SER A 120 -2.131 -13.008 -1.716 1.00 0.00 C ATOM 1461 C SER A 120 -2.146 -14.372 -2.401 1.00 0.00 C ATOM 1462 O SER A 120 -1.160 -15.108 -2.384 1.00 0.00 O ATOM 1463 CB SER A 120 -1.184 -12.052 -2.443 1.00 0.00 C ATOM 1464 OG SER A 120 -1.622 -11.803 -3.770 1.00 0.00 O ATOM 0 H SER A 120 -0.866 -12.685 -0.078 1.00 0.00 H new ATOM 0 HA SER A 120 -3.141 -12.599 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.122 -11.111 -1.896 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.180 -12.476 -2.463 1.00 0.00 H new ATOM 0 HG SER A 120 -1.185 -10.995 -4.113 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.293 -14.712 -2.970 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.461 -15.959 -3.705 1.00 0.00 C ATOM 1472 C ARG A 121 -4.116 -15.659 -5.058 1.00 0.00 C ATOM 1473 O ARG A 121 -4.385 -16.552 -5.857 1.00 0.00 O ATOM 1474 CB ARG A 121 -4.311 -16.915 -2.844 1.00 0.00 C ATOM 1475 CG ARG A 121 -4.447 -18.353 -3.350 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.644 -18.525 -4.278 1.00 0.00 C ATOM 1477 NE ARG A 121 -6.832 -17.835 -3.777 1.00 0.00 N ATOM 1478 CZ ARG A 121 -8.075 -18.253 -3.980 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -8.291 -19.392 -4.622 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -9.095 -17.539 -3.531 1.00 0.00 N ATOM 0 H ARG A 121 -4.132 -14.133 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.503 -16.438 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.881 -16.945 -1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.311 -16.491 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.537 -18.639 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.548 -19.028 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.393 -18.142 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.863 -19.586 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.697 -16.980 -3.238 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.503 -19.945 -4.959 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -9.245 -19.716 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -8.926 -16.667 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -10.050 -17.860 -3.687 1.00 0.00 H new ATOM 1493 N ASN A 122 -4.312 -14.376 -5.327 1.00 0.00 N ATOM 1494 CA ASN A 122 -5.073 -13.935 -6.492 1.00 0.00 C ATOM 1495 C ASN A 122 -4.287 -14.184 -7.775 1.00 0.00 C ATOM 1496 O ASN A 122 -3.069 -14.002 -7.816 1.00 0.00 O ATOM 1497 CB ASN A 122 -5.415 -12.444 -6.348 1.00 0.00 C ATOM 1498 CG ASN A 122 -6.489 -11.959 -7.313 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -6.547 -12.359 -8.474 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -7.364 -11.094 -6.821 1.00 0.00 N ATOM 0 H ASN A 122 -3.952 -13.615 -4.750 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.998 -14.509 -6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.746 -12.255 -5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.510 -11.857 -6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -8.116 -10.738 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -7.285 -10.784 -5.852 1.00 0.00 H new ATOM 1507 N ASP A 123 -5.004 -14.592 -8.819 1.00 0.00 N ATOM 1508 CA ASP A 123 -4.405 -14.953 -10.103 1.00 0.00 C ATOM 1509 C ASP A 123 -3.781 -13.746 -10.798 1.00 0.00 C ATOM 1510 O ASP A 123 -2.984 -13.897 -11.729 1.00 0.00 O ATOM 1511 CB ASP A 123 -5.454 -15.598 -11.016 1.00 0.00 C ATOM 1512 CG ASP A 123 -6.655 -14.704 -11.276 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -7.627 -14.767 -10.494 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -6.641 -13.951 -12.274 1.00 0.00 O ATOM 0 H ASP A 123 -6.020 -14.682 -8.799 1.00 0.00 H new ATOM 0 HA ASP A 123 -3.609 -15.670 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.989 -15.855 -11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.794 -16.530 -10.565 1.00 0.00 H new ATOM 1519 N MET A 124 -4.163 -12.557 -10.360 1.00 0.00 N ATOM 1520 CA MET A 124 -3.549 -11.329 -10.828 1.00 0.00 C ATOM 1521 C MET A 124 -3.205 -10.449 -9.637 1.00 0.00 C ATOM 1522 O MET A 124 -4.086 -10.064 -8.871 1.00 0.00 O ATOM 1523 CB MET A 124 -4.478 -10.571 -11.784 1.00 0.00 C ATOM 1524 CG MET A 124 -4.664 -11.247 -13.131 1.00 0.00 C ATOM 1525 SD MET A 124 -5.703 -10.284 -14.246 1.00 0.00 S ATOM 1526 CE MET A 124 -5.637 -11.289 -15.726 1.00 0.00 C ATOM 0 H MET A 124 -4.904 -12.418 -9.673 1.00 0.00 H new ATOM 0 HA MET A 124 -2.641 -11.585 -11.374 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.453 -10.454 -11.310 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.079 -9.569 -11.944 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.689 -11.405 -13.593 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.110 -12.231 -12.982 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.234 -10.822 -16.510 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.603 -11.376 -16.061 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.033 -12.281 -15.510 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.930 -10.148 -9.464 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.503 -9.334 -8.339 1.00 0.00 C ATOM 1538 C CYS A 125 -0.355 -8.416 -8.736 1.00 0.00 C ATOM 1539 O CYS A 125 0.746 -8.869 -9.042 1.00 0.00 O ATOM 1540 CB CYS A 125 -1.088 -10.217 -7.158 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.637 -9.285 -5.657 1.00 0.00 S ATOM 0 H CYS A 125 -1.178 -10.452 -10.082 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.348 -8.717 -8.034 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.907 -10.895 -6.919 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -0.241 -10.833 -7.459 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.632 -7.122 -8.755 1.00 0.00 N ATOM 1547 CA HIS A 126 0.391 -6.119 -9.009 1.00 0.00 C ATOM 1548 C HIS A 126 0.631 -5.325 -7.733 1.00 0.00 C ATOM 1549 O HIS A 126 -0.312 -4.809 -7.136 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.031 -5.184 -10.152 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.047 -5.840 -11.501 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.830 -5.509 -12.510 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.847 -6.810 -12.007 1.00 0.00 C ATOM 1554 CE1 HIS A 126 0.574 -6.246 -13.575 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.441 -7.043 -13.294 1.00 0.00 N ATOM 0 H HIS A 126 -1.564 -6.739 -8.596 1.00 0.00 H new ATOM 0 HA HIS A 126 1.313 -6.615 -9.311 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.025 -4.791 -9.938 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.649 -4.332 -10.181 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.655 -7.307 -11.491 1.00 0.00 H new ATOM 0 HE1 HIS A 126 1.104 -6.204 -14.515 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.855 -7.722 -13.932 1.00 0.00 H new ATOM 1563 N SER A 127 1.881 -5.264 -7.305 1.00 0.00 N ATOM 1564 CA SER A 127 2.238 -4.595 -6.063 1.00 0.00 C ATOM 1565 C SER A 127 1.897 -3.102 -6.107 1.00 0.00 C ATOM 1566 O SER A 127 2.189 -2.410 -7.088 1.00 0.00 O ATOM 1567 CB SER A 127 3.726 -4.816 -5.794 1.00 0.00 C ATOM 1568 OG SER A 127 4.405 -5.149 -6.997 1.00 0.00 O ATOM 0 H SER A 127 2.672 -5.673 -7.803 1.00 0.00 H new ATOM 0 HA SER A 127 1.654 -5.022 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.161 -3.915 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.855 -5.615 -5.064 1.00 0.00 H new ATOM 0 HG SER A 127 4.194 -4.485 -7.686 1.00 0.00 H new ATOM 1574 N LEU A 128 1.270 -2.620 -5.041 1.00 0.00 N ATOM 1575 CA LEU A 128 0.816 -1.239 -4.973 1.00 0.00 C ATOM 1576 C LEU A 128 1.990 -0.315 -4.676 1.00 0.00 C ATOM 1577 O LEU A 128 2.760 -0.554 -3.748 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.273 -1.099 -3.899 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.060 0.219 -3.900 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.429 0.006 -3.276 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.310 1.305 -3.143 1.00 0.00 C ATOM 0 H LEU A 128 1.064 -3.170 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 128 0.392 -0.954 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.980 -1.920 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.193 -1.219 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.179 0.543 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.981 0.946 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.978 -0.740 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.311 -0.341 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.891 2.227 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.159 0.990 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.657 1.476 -3.616 1.00 0.00 H new ATOM 1593 N GLY A 129 2.115 0.734 -5.471 1.00 0.00 N ATOM 1594 CA GLY A 129 3.195 1.675 -5.301 1.00 0.00 C ATOM 1595 C GLY A 129 2.700 3.051 -4.930 1.00 0.00 C ATOM 1596 O GLY A 129 1.636 3.484 -5.383 1.00 0.00 O ATOM 0 H GLY A 129 1.479 0.950 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.871 1.313 -4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.771 1.735 -6.224 1.00 0.00 H new ATOM 1600 N LEU A 130 3.473 3.735 -4.107 1.00 0.00 N ATOM 1601 CA LEU A 130 3.131 5.072 -3.670 1.00 0.00 C ATOM 1602 C LEU A 130 4.334 5.996 -3.836 1.00 0.00 C ATOM 1603 O LEU A 130 5.468 5.616 -3.536 1.00 0.00 O ATOM 1604 CB LEU A 130 2.681 5.040 -2.207 1.00 0.00 C ATOM 1605 CG LEU A 130 2.216 6.377 -1.625 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.973 6.876 -2.344 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.945 6.237 -0.136 1.00 0.00 C ATOM 0 H LEU A 130 4.350 3.380 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 130 2.312 5.452 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.867 4.321 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.507 4.668 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 130 3.011 7.109 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.661 7.827 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.195 7.012 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.171 6.147 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.615 7.195 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.168 5.490 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.858 5.926 0.372 1.00 0.00 H new ATOM 1619 N THR A 131 4.090 7.188 -4.348 1.00 0.00 N ATOM 1620 CA THR A 131 5.133 8.190 -4.495 1.00 0.00 C ATOM 1621 C THR A 131 4.755 9.457 -3.731 1.00 0.00 C ATOM 1622 O THR A 131 3.782 10.126 -4.075 1.00 0.00 O ATOM 1623 CB THR A 131 5.369 8.521 -5.981 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.748 7.326 -6.681 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.451 9.581 -6.154 1.00 0.00 C ATOM 0 H THR A 131 3.171 7.489 -4.672 1.00 0.00 H new ATOM 0 HA THR A 131 6.057 7.786 -4.082 1.00 0.00 H new ATOM 0 HB THR A 131 4.441 8.919 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.897 7.534 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.590 9.789 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.150 10.495 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.387 9.218 -5.729 1.00 0.00 H new ATOM 1633 N CYS A 132 5.513 9.768 -2.688 1.00 0.00 N ATOM 1634 CA CYS A 132 5.219 10.925 -1.846 1.00 0.00 C ATOM 1635 C CYS A 132 6.168 12.082 -2.166 1.00 0.00 C ATOM 1636 O CYS A 132 7.232 11.877 -2.754 1.00 0.00 O ATOM 1637 CB CYS A 132 5.344 10.539 -0.369 1.00 0.00 C ATOM 1638 SG CYS A 132 4.456 9.013 0.088 1.00 0.00 S ATOM 0 H CYS A 132 6.336 9.237 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 132 4.199 11.250 -2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.400 10.417 -0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.969 11.360 0.242 1.00 0.00 H new ATOM 1643 N LEU A 133 5.768 13.295 -1.796 1.00 0.00 N ATOM 1644 CA LEU A 133 6.593 14.482 -2.010 1.00 0.00 C ATOM 1645 C LEU A 133 7.781 14.534 -1.052 1.00 0.00 C ATOM 1646 O LEU A 133 7.604 14.615 0.165 1.00 0.00 O ATOM 1647 CB LEU A 133 5.756 15.753 -1.828 1.00 0.00 C ATOM 1648 CG LEU A 133 4.857 16.125 -3.003 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.898 17.232 -2.599 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.699 16.567 -4.188 1.00 0.00 C ATOM 0 H LEU A 133 4.873 13.483 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 133 6.973 14.424 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.133 15.632 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.431 16.586 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 133 4.278 15.248 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.262 17.489 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.278 16.892 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.465 18.111 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.046 16.830 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.296 17.435 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.360 15.754 -4.488 1.00 0.00 H new ATOM 1662 N GLU A 134 8.983 14.489 -1.605 1.00 0.00 N ATOM 1663 CA GLU A 134 10.193 14.703 -0.824 1.00 0.00 C ATOM 1664 C GLU A 134 11.113 15.660 -1.576 1.00 0.00 C ATOM 1665 O GLU A 134 12.107 15.201 -2.172 1.00 0.00 O ATOM 1666 CB GLU A 134 10.917 13.379 -0.543 1.00 0.00 C ATOM 1667 CG GLU A 134 12.018 13.498 0.502 1.00 0.00 C ATOM 1668 CD GLU A 134 12.879 12.253 0.599 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.827 12.120 -0.204 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.626 11.411 1.486 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.810 16.871 -1.603 1.00 0.00 O ATOM 0 H GLU A 134 9.148 14.306 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 134 9.916 15.137 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.189 12.640 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.348 13.005 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.650 14.352 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.568 13.699 1.474 1.00 0.00 H new