USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 982 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 135 ASN :FLIP amide:sc= -0.223 F(o=-4.1!,f=-0.47) USER MOD Set 1.2: A 136 HIS : no HE2:sc= -0.247 X(o=-0.47,f=-0.83) USER MOD Set 2.1: A 88 ASN : amide:sc= 0.0856 K(o=0.18,f=-7!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ -136:sc= 0.0895 (180deg=-0.276) USER MOD Set 3.1: A 56 SER OG : rot -170:sc= 0 USER MOD Set 3.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 12 TYR OH : rot 180:sc= 0.386 USER MOD Set 4.2: A 53 TYR OH : rot 27:sc= 0.409 USER MOD Set 5.1: A 52 SER OG : rot -101:sc= -0.068 USER MOD Set 5.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 23 SER OG : rot -170:sc= 0 USER MOD Set 7.1: A 20 ASN : amide:sc= 0.224 K(o=0.86,f=-1.8) USER MOD Set 7.2: A 22 GLN : amide:sc= 0.633 K(o=0.86,f=-1.5) USER MOD Single : A 7 SER OG : rot 38:sc= 0.0489 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 15 SER OG : rot 89:sc= 0.211 USER MOD Single : A 18 THR OG1 : rot 170:sc= -1.52! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -3:sc= 0.23 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= 0.293 (180deg=-0.378) USER MOD Single : A 73 MET CE :methyl -137:sc= -0.134 (180deg=-1.15) USER MOD Single : A 75 THR OG1 : rot -53:sc= -1.03 USER MOD Single : A 77 SER OG : rot -72:sc= 0.131 USER MOD Single : A 79 THR OG1 : rot -90:sc= -2.39! USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -0.0129 (180deg=-0.186) USER MOD Single : A 85 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.9!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= -2.08! (180deg=-3.39!) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= -0.0672 (180deg=-0.393) USER MOD Single : A 105 GLN : amide:sc= -0.128 X(o=-0.13,f=0.3) USER MOD Single : A 111 HIS : no HD1:sc= -0.357 X(o=-0.36,f=0.047) USER MOD Single : A 112 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.38) USER MOD Single : A 113 MET CE :methyl -164:sc= -0.0805 (180deg=-0.397) USER MOD Single : A 114 HIS : no HE2:sc= -0.351 X(o=-0.35,f=-0.28) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 117 CYS SG : rot -126:sc= -0.141 USER MOD Single : A 119 SER OG : rot -143:sc= 0.719 USER MOD Single : A 122 CYS SG : rot -150:sc= -0.615 USER MOD Single : A 123 LYS NZ :NH3+ -170:sc=-0.00902 (180deg=-0.145) USER MOD Single : A 124 THR OG1 : rot 74:sc= 0.533 USER MOD Single : A 133 LYS NZ :NH3+ -152:sc= 0.549 (180deg=-0.14) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot 28:sc= 0.107 USER MOD Single : A 152 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 14.688 7.053 -7.834 1.00 0.67 N ATOM 92 CA SER A 7 13.922 7.394 -9.027 1.00 0.69 C ATOM 93 C SER A 7 12.729 6.453 -9.199 1.00 0.58 C ATOM 94 O SER A 7 12.797 5.283 -8.821 1.00 0.54 O ATOM 95 CB SER A 7 14.819 7.331 -10.263 1.00 0.81 C ATOM 96 OG SER A 7 15.892 8.253 -10.164 1.00 1.60 O ATOM 0 HA SER A 7 13.543 8.409 -8.910 1.00 0.69 H new ATOM 0 HB2 SER A 7 15.213 6.321 -10.379 1.00 0.81 H new ATOM 0 HB3 SER A 7 14.230 7.548 -11.154 1.00 0.81 H new ATOM 0 HG SER A 7 16.215 8.281 -9.239 1.00 1.60 H new ATOM 102 N PRO A 8 11.617 6.953 -9.775 1.00 0.57 N ATOM 103 CA PRO A 8 10.411 6.147 -9.992 1.00 0.48 C ATOM 104 C PRO A 8 10.567 5.164 -11.146 1.00 0.47 C ATOM 105 O PRO A 8 11.010 5.532 -12.235 1.00 0.58 O ATOM 106 CB PRO A 8 9.346 7.193 -10.321 1.00 0.49 C ATOM 107 CG PRO A 8 10.102 8.320 -10.932 1.00 0.69 C ATOM 108 CD PRO A 8 11.450 8.339 -10.260 1.00 0.67 C ATOM 0 HA PRO A 8 10.172 5.529 -9.127 1.00 0.48 H new ATOM 0 HB2 PRO A 8 8.600 6.796 -11.010 1.00 0.49 H new ATOM 0 HB3 PRO A 8 8.814 7.512 -9.425 1.00 0.49 H new ATOM 0 HG2 PRO A 8 10.206 8.180 -12.008 1.00 0.69 H new ATOM 0 HG3 PRO A 8 9.580 9.265 -10.782 1.00 0.69 H new ATOM 0 HD2 PRO A 8 12.241 8.618 -10.956 1.00 0.67 H new ATOM 0 HD3 PRO A 8 11.479 9.057 -9.440 1.00 0.67 H new ATOM 116 N ILE A 9 10.198 3.912 -10.898 1.00 0.41 N ATOM 117 CA ILE A 9 10.292 2.867 -11.910 1.00 0.46 C ATOM 118 C ILE A 9 9.113 2.924 -12.875 1.00 0.45 C ATOM 119 O ILE A 9 9.290 3.119 -14.077 1.00 0.53 O ATOM 120 CB ILE A 9 10.342 1.470 -11.267 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.458 1.415 -10.222 1.00 0.51 C ATOM 122 CG2 ILE A 9 10.547 0.401 -12.333 1.00 0.65 C ATOM 123 CD1 ILE A 9 11.534 0.097 -9.490 1.00 1.53 C ATOM 0 H ILE A 9 9.830 3.596 -10.001 1.00 0.41 H new ATOM 0 HA ILE A 9 11.216 3.043 -12.460 1.00 0.46 H new ATOM 0 HB ILE A 9 9.391 1.275 -10.770 1.00 0.48 H new ATOM 0 HG12 ILE A 9 12.413 1.605 -10.712 1.00 0.51 H new ATOM 0 HG13 ILE A 9 11.306 2.215 -9.498 1.00 0.51 H new ATOM 0 HG21 ILE A 9 10.580 -0.581 -11.862 1.00 0.65 H new ATOM 0 HG22 ILE A 9 9.722 0.434 -13.045 1.00 0.65 H new ATOM 0 HG23 ILE A 9 11.486 0.584 -12.856 1.00 0.65 H new ATOM 0 HD11 ILE A 9 12.347 0.130 -8.765 1.00 1.53 H new ATOM 0 HD12 ILE A 9 10.593 -0.086 -8.971 1.00 1.53 H new ATOM 0 HD13 ILE A 9 11.717 -0.706 -10.204 1.00 1.53 H new ATOM 135 N THR A 10 7.911 2.750 -12.336 1.00 0.41 N ATOM 136 CA THR A 10 6.699 2.780 -13.145 1.00 0.42 C ATOM 137 C THR A 10 5.547 3.425 -12.385 1.00 0.31 C ATOM 138 O THR A 10 5.499 3.378 -11.155 1.00 0.28 O ATOM 139 CB THR A 10 6.283 1.364 -13.586 1.00 0.52 C ATOM 140 OG1 THR A 10 5.041 1.417 -14.298 1.00 0.54 O ATOM 141 CG2 THR A 10 6.146 0.442 -12.386 1.00 0.53 C ATOM 0 H THR A 10 7.751 2.587 -11.342 1.00 0.41 H new ATOM 0 HA THR A 10 6.923 3.375 -14.030 1.00 0.42 H new ATOM 0 HB THR A 10 7.060 0.969 -14.241 1.00 0.52 H new ATOM 0 HG1 THR A 10 4.785 0.513 -14.576 1.00 0.54 H new ATOM 0 HG21 THR A 10 5.852 -0.552 -12.723 1.00 0.53 H new ATOM 0 HG22 THR A 10 7.101 0.380 -11.864 1.00 0.53 H new ATOM 0 HG23 THR A 10 5.387 0.836 -11.710 1.00 0.53 H new ATOM 149 N GLU A 11 4.619 4.026 -13.125 1.00 0.34 N ATOM 150 CA GLU A 11 3.466 4.684 -12.524 1.00 0.27 C ATOM 151 C GLU A 11 2.191 4.354 -13.290 1.00 0.23 C ATOM 152 O GLU A 11 2.108 4.576 -14.500 1.00 0.32 O ATOM 153 CB GLU A 11 3.680 6.199 -12.493 1.00 0.35 C ATOM 154 CG GLU A 11 4.933 6.620 -11.744 1.00 1.07 C ATOM 155 CD GLU A 11 5.155 8.119 -11.774 1.00 1.05 C ATOM 156 OE1 GLU A 11 5.755 8.612 -12.753 1.00 1.46 O ATOM 157 OE2 GLU A 11 4.729 8.802 -10.819 1.00 0.76 O ATOM 0 H GLU A 11 4.645 4.070 -14.144 1.00 0.34 H new ATOM 0 HA GLU A 11 3.359 4.317 -11.503 1.00 0.27 H new ATOM 0 HB2 GLU A 11 3.736 6.571 -13.516 1.00 0.35 H new ATOM 0 HB3 GLU A 11 2.814 6.671 -12.029 1.00 0.35 H new ATOM 0 HG2 GLU A 11 4.861 6.288 -10.708 1.00 1.07 H new ATOM 0 HG3 GLU A 11 5.798 6.120 -12.180 1.00 1.07 H new ATOM 164 N TYR A 12 1.199 3.823 -12.584 1.00 0.33 N ATOM 165 CA TYR A 12 -0.073 3.465 -13.205 1.00 0.46 C ATOM 166 C TYR A 12 -1.174 3.330 -12.157 1.00 0.33 C ATOM 167 O TYR A 12 -0.910 2.989 -11.005 1.00 0.28 O ATOM 168 CB TYR A 12 0.067 2.162 -13.993 1.00 0.67 C ATOM 169 CG TYR A 12 0.457 0.969 -13.147 1.00 0.46 C ATOM 170 CD1 TYR A 12 1.782 0.752 -12.786 1.00 0.71 C ATOM 171 CD2 TYR A 12 -0.498 0.058 -12.713 1.00 0.62 C ATOM 172 CE1 TYR A 12 2.142 -0.338 -12.019 1.00 1.26 C ATOM 173 CE2 TYR A 12 -0.144 -1.035 -11.945 1.00 1.16 C ATOM 174 CZ TYR A 12 1.176 -1.228 -11.600 1.00 1.50 C ATOM 175 OH TYR A 12 1.533 -2.316 -10.836 1.00 2.11 O ATOM 0 H TYR A 12 1.250 3.631 -11.584 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.351 4.265 -13.891 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -0.878 1.947 -14.491 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.815 2.300 -14.774 1.00 0.67 H new ATOM 0 HD1 TYR A 12 2.542 1.447 -13.111 1.00 0.71 H new ATOM 0 HD2 TYR A 12 -1.534 0.206 -12.980 1.00 0.62 H new ATOM 0 HE1 TYR A 12 3.176 -0.493 -11.748 1.00 1.26 H new ATOM 0 HE2 TYR A 12 -0.898 -1.735 -11.617 1.00 1.16 H new ATOM 0 HH TYR A 12 0.734 -2.843 -10.624 1.00 2.11 H new ATOM 185 N LEU A 13 -2.408 3.599 -12.572 1.00 0.42 N ATOM 186 CA LEU A 13 -3.551 3.517 -11.697 1.00 0.35 C ATOM 187 C LEU A 13 -4.042 2.080 -11.564 1.00 0.29 C ATOM 188 O LEU A 13 -3.950 1.290 -12.504 1.00 0.35 O ATOM 189 CB LEU A 13 -4.654 4.397 -12.261 1.00 0.45 C ATOM 190 CG LEU A 13 -4.500 5.892 -11.982 1.00 0.59 C ATOM 191 CD1 LEU A 13 -3.407 6.490 -12.853 1.00 1.17 C ATOM 192 CD2 LEU A 13 -5.821 6.612 -12.205 1.00 0.93 C ATOM 0 H LEU A 13 -2.634 3.879 -13.526 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.266 3.859 -10.702 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -4.700 4.248 -13.340 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -5.608 4.064 -11.852 1.00 0.45 H new ATOM 0 HG LEU A 13 -4.211 6.021 -10.939 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -3.313 7.555 -12.639 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -2.460 5.993 -12.642 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -3.663 6.352 -13.904 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -5.695 7.675 -12.002 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -6.140 6.475 -13.238 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -6.576 6.202 -11.535 1.00 0.93 H new ATOM 204 N ALA A 14 -4.567 1.751 -10.389 1.00 0.22 N ATOM 205 CA ALA A 14 -5.072 0.412 -10.121 1.00 0.20 C ATOM 206 C ALA A 14 -6.015 0.418 -8.924 1.00 0.20 C ATOM 207 O ALA A 14 -5.773 1.113 -7.937 1.00 0.32 O ATOM 208 CB ALA A 14 -3.916 -0.548 -9.885 1.00 0.30 C ATOM 0 H ALA A 14 -4.654 2.397 -9.605 1.00 0.22 H new ATOM 0 HA ALA A 14 -5.634 0.075 -10.992 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.307 -1.546 -9.686 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.281 -0.577 -10.770 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.331 -0.210 -9.030 1.00 0.30 H new ATOM 214 N SER A 15 -7.092 -0.357 -9.018 1.00 0.27 N ATOM 215 CA SER A 15 -8.067 -0.438 -7.938 1.00 0.32 C ATOM 216 C SER A 15 -7.775 -1.622 -7.024 1.00 0.30 C ATOM 217 O SER A 15 -7.638 -2.756 -7.486 1.00 0.29 O ATOM 218 CB SER A 15 -9.484 -0.553 -8.508 1.00 0.40 C ATOM 219 OG SER A 15 -10.444 -0.667 -7.471 1.00 1.30 O ATOM 0 H SER A 15 -7.310 -0.936 -9.829 1.00 0.27 H new ATOM 0 HA SER A 15 -7.993 0.476 -7.349 1.00 0.32 H new ATOM 0 HB2 SER A 15 -9.706 0.322 -9.118 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.546 -1.422 -9.163 1.00 0.40 H new ATOM 0 HG SER A 15 -10.733 0.227 -7.193 1.00 1.30 H new ATOM 225 N LEU A 16 -7.683 -1.352 -5.725 1.00 0.31 N ATOM 226 CA LEU A 16 -7.407 -2.394 -4.743 1.00 0.30 C ATOM 227 C LEU A 16 -8.662 -3.212 -4.466 1.00 0.29 C ATOM 228 O LEU A 16 -9.747 -2.660 -4.280 1.00 0.37 O ATOM 229 CB LEU A 16 -6.892 -1.776 -3.440 1.00 0.34 C ATOM 230 CG LEU A 16 -5.526 -1.092 -3.537 1.00 0.35 C ATOM 231 CD1 LEU A 16 -5.472 0.125 -2.628 1.00 1.11 C ATOM 232 CD2 LEU A 16 -4.415 -2.068 -3.178 1.00 0.98 C ATOM 0 H LEU A 16 -7.796 -0.419 -5.328 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.640 -3.053 -5.150 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -7.622 -1.046 -3.090 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.836 -2.558 -2.683 1.00 0.34 H new ATOM 0 HG LEU A 16 -5.381 -0.762 -4.566 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -4.493 0.598 -2.711 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -6.244 0.835 -2.924 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -5.640 -0.184 -1.596 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -3.451 -1.565 -3.252 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -4.560 -2.426 -2.159 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -4.437 -2.913 -3.866 1.00 0.98 H new ATOM 244 N SER A 17 -8.509 -4.532 -4.446 1.00 0.21 N ATOM 245 CA SER A 17 -9.631 -5.424 -4.186 1.00 0.21 C ATOM 246 C SER A 17 -9.198 -6.596 -3.313 1.00 0.19 C ATOM 247 O SER A 17 -8.225 -7.284 -3.617 1.00 0.22 O ATOM 248 CB SER A 17 -10.212 -5.941 -5.504 1.00 0.25 C ATOM 249 OG SER A 17 -10.668 -4.871 -6.316 1.00 0.98 O ATOM 0 H SER A 17 -7.620 -5.006 -4.607 1.00 0.21 H new ATOM 0 HA SER A 17 -10.399 -4.861 -3.655 1.00 0.21 H new ATOM 0 HB2 SER A 17 -9.453 -6.511 -6.041 1.00 0.25 H new ATOM 0 HB3 SER A 17 -11.037 -6.623 -5.299 1.00 0.25 H new ATOM 0 HG SER A 17 -11.033 -5.228 -7.153 1.00 0.98 H new ATOM 255 N THR A 18 -9.934 -6.821 -2.229 1.00 0.18 N ATOM 256 CA THR A 18 -9.629 -7.910 -1.311 1.00 0.19 C ATOM 257 C THR A 18 -9.804 -9.261 -1.995 1.00 0.21 C ATOM 258 O THR A 18 -10.380 -9.350 -3.080 1.00 0.31 O ATOM 259 CB THR A 18 -10.534 -7.858 -0.068 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.878 -8.194 -0.426 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.504 -6.474 0.564 1.00 0.18 C ATOM 0 H THR A 18 -10.746 -6.263 -1.966 1.00 0.18 H new ATOM 0 HA THR A 18 -8.590 -7.791 -1.003 1.00 0.19 H new ATOM 0 HB THR A 18 -10.160 -8.581 0.657 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.412 -8.317 0.387 1.00 0.23 H new ATOM 0 HG21 THR A 18 -11.151 -6.460 1.441 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.484 -6.232 0.862 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.856 -5.737 -0.158 1.00 0.18 H new ATOM 269 N TYR A 19 -9.304 -10.312 -1.351 1.00 0.21 N ATOM 270 CA TYR A 19 -9.398 -11.660 -1.898 1.00 0.23 C ATOM 271 C TYR A 19 -10.825 -12.195 -1.791 1.00 0.24 C ATOM 272 O TYR A 19 -11.113 -13.313 -2.217 1.00 0.29 O ATOM 273 CB TYR A 19 -8.429 -12.596 -1.172 1.00 0.28 C ATOM 274 CG TYR A 19 -8.193 -13.907 -1.888 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.561 -13.943 -3.125 1.00 0.39 C ATOM 276 CD2 TYR A 19 -8.604 -15.110 -1.327 1.00 0.36 C ATOM 277 CE1 TYR A 19 -7.346 -15.140 -3.782 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.393 -16.310 -1.977 1.00 0.42 C ATOM 279 CZ TYR A 19 -7.757 -16.319 -3.205 1.00 0.45 C ATOM 280 OH TYR A 19 -7.551 -17.514 -3.854 1.00 0.52 O ATOM 0 H TYR A 19 -8.830 -10.255 -0.450 1.00 0.21 H new ATOM 0 HA TYR A 19 -9.127 -11.617 -2.953 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.474 -12.086 -1.043 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -8.817 -12.802 -0.175 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -7.232 -13.021 -3.581 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.097 -15.106 -0.366 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -6.857 -15.149 -4.745 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -8.723 -17.236 -1.529 1.00 0.42 H new ATOM 0 HH TYR A 19 -7.901 -18.248 -3.307 1.00 0.52 H new ATOM 290 N ASN A 20 -11.715 -11.388 -1.218 1.00 0.22 N ATOM 291 CA ASN A 20 -13.110 -11.783 -1.058 1.00 0.27 C ATOM 292 C ASN A 20 -13.979 -11.140 -2.135 1.00 0.26 C ATOM 293 O ASN A 20 -15.173 -10.916 -1.936 1.00 0.30 O ATOM 294 CB ASN A 20 -13.619 -11.397 0.333 1.00 0.32 C ATOM 295 CG ASN A 20 -14.880 -12.147 0.717 1.00 1.21 C ATOM 296 OD1 ASN A 20 -15.994 -11.693 0.456 1.00 2.23 O ATOM 297 ND2 ASN A 20 -14.710 -13.305 1.346 1.00 1.58 N ATOM 0 H ASN A 20 -11.495 -10.459 -0.858 1.00 0.22 H new ATOM 0 HA ASN A 20 -13.172 -12.866 -1.165 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -12.841 -11.598 1.070 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -13.815 -10.325 0.361 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -15.521 -13.854 1.632 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -13.769 -13.645 1.543 1.00 1.58 H new ATOM 304 N ASP A 21 -13.363 -10.840 -3.277 1.00 0.26 N ATOM 305 CA ASP A 21 -14.067 -10.225 -4.401 1.00 0.30 C ATOM 306 C ASP A 21 -14.642 -8.861 -4.021 1.00 0.31 C ATOM 307 O ASP A 21 -15.585 -8.381 -4.650 1.00 0.54 O ATOM 308 CB ASP A 21 -15.183 -11.146 -4.899 1.00 0.36 C ATOM 309 CG ASP A 21 -14.671 -12.519 -5.282 1.00 1.14 C ATOM 310 OD1 ASP A 21 -14.196 -12.678 -6.427 1.00 1.01 O ATOM 311 OD2 ASP A 21 -14.744 -13.438 -4.440 1.00 2.07 O ATOM 0 H ASP A 21 -12.373 -11.014 -3.449 1.00 0.26 H new ATOM 0 HA ASP A 21 -13.344 -10.074 -5.203 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -15.940 -11.248 -4.122 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -15.670 -10.689 -5.761 1.00 0.36 H new ATOM 316 N GLN A 22 -14.071 -8.242 -2.992 1.00 0.22 N ATOM 317 CA GLN A 22 -14.529 -6.931 -2.543 1.00 0.21 C ATOM 318 C GLN A 22 -13.570 -5.839 -3.007 1.00 0.20 C ATOM 319 O GLN A 22 -12.372 -6.076 -3.152 1.00 0.29 O ATOM 320 CB GLN A 22 -14.655 -6.896 -1.018 1.00 0.22 C ATOM 321 CG GLN A 22 -15.575 -7.965 -0.452 1.00 0.30 C ATOM 322 CD GLN A 22 -15.699 -7.883 1.057 1.00 0.37 C ATOM 323 OE1 GLN A 22 -15.600 -6.803 1.642 1.00 1.13 O ATOM 324 NE2 GLN A 22 -15.912 -9.027 1.696 1.00 1.17 N ATOM 0 H GLN A 22 -13.293 -8.625 -2.455 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.510 -6.749 -2.982 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.664 -7.013 -0.579 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -15.024 -5.916 -0.716 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.563 -7.864 -0.901 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.198 -8.949 -0.730 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -15.987 -9.898 1.171 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -16.000 -9.035 2.712 1.00 1.17 H new ATOM 333 N SER A 23 -14.103 -4.643 -3.235 1.00 0.29 N ATOM 334 CA SER A 23 -13.292 -3.516 -3.686 1.00 0.31 C ATOM 335 C SER A 23 -13.123 -2.483 -2.577 1.00 0.26 C ATOM 336 O SER A 23 -13.985 -2.347 -1.706 1.00 0.23 O ATOM 337 CB SER A 23 -13.933 -2.865 -4.913 1.00 0.37 C ATOM 338 OG SER A 23 -14.075 -3.797 -5.969 1.00 1.17 O ATOM 0 H SER A 23 -15.093 -4.428 -3.115 1.00 0.29 H new ATOM 0 HA SER A 23 -12.305 -3.894 -3.953 1.00 0.31 H new ATOM 0 HB2 SER A 23 -14.910 -2.462 -4.646 1.00 0.37 H new ATOM 0 HB3 SER A 23 -13.322 -2.026 -5.244 1.00 0.37 H new ATOM 0 HG SER A 23 -14.338 -3.326 -6.788 1.00 1.17 H new ATOM 344 N ILE A 24 -12.010 -1.755 -2.616 1.00 0.28 N ATOM 345 CA ILE A 24 -11.724 -0.734 -1.614 1.00 0.26 C ATOM 346 C ILE A 24 -12.272 0.622 -2.049 1.00 0.26 C ATOM 347 O ILE A 24 -12.228 0.966 -3.230 1.00 0.45 O ATOM 348 CB ILE A 24 -10.209 -0.602 -1.360 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.557 -1.986 -1.251 1.00 0.32 C ATOM 350 CG2 ILE A 24 -9.950 0.218 -0.102 1.00 0.31 C ATOM 351 CD1 ILE A 24 -10.028 -2.802 -0.067 1.00 0.31 C ATOM 0 H ILE A 24 -11.291 -1.854 -3.332 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.213 -1.048 -0.691 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.761 -0.082 -2.206 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.759 -2.543 -2.166 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.476 -1.862 -1.186 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -8.876 0.302 0.063 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.377 1.214 -0.222 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.411 -0.274 0.754 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.519 -3.766 -0.064 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -9.801 -2.268 0.856 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -11.104 -2.961 -0.139 1.00 0.31 H new ATOM 363 N THR A 25 -12.784 1.389 -1.090 1.00 0.32 N ATOM 364 CA THR A 25 -13.340 2.706 -1.384 1.00 0.35 C ATOM 365 C THR A 25 -12.726 3.778 -0.488 1.00 0.38 C ATOM 366 O THR A 25 -12.764 3.675 0.739 1.00 0.46 O ATOM 367 CB THR A 25 -14.871 2.717 -1.207 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.466 1.701 -2.022 1.00 0.40 O ATOM 369 CG2 THR A 25 -15.450 4.075 -1.579 1.00 0.44 C ATOM 0 H THR A 25 -12.825 1.122 -0.106 1.00 0.32 H new ATOM 0 HA THR A 25 -13.098 2.928 -2.423 1.00 0.35 H new ATOM 0 HB THR A 25 -15.094 2.519 -0.159 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.439 1.714 -1.902 1.00 0.40 H new ATOM 0 HG21 THR A 25 -16.532 4.058 -1.446 1.00 0.44 H new ATOM 0 HG22 THR A 25 -15.017 4.843 -0.938 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.216 4.298 -2.620 1.00 0.44 H new ATOM 377 N PHE A 26 -12.162 4.810 -1.112 1.00 0.37 N ATOM 378 CA PHE A 26 -11.541 5.907 -0.375 1.00 0.40 C ATOM 379 C PHE A 26 -12.420 7.153 -0.425 1.00 0.48 C ATOM 380 O PHE A 26 -12.424 7.881 -1.418 1.00 0.52 O ATOM 381 CB PHE A 26 -10.160 6.227 -0.952 1.00 0.39 C ATOM 382 CG PHE A 26 -9.208 5.064 -0.919 1.00 0.36 C ATOM 383 CD1 PHE A 26 -9.238 4.100 -1.914 1.00 0.38 C ATOM 384 CD2 PHE A 26 -8.285 4.936 0.106 1.00 0.37 C ATOM 385 CE1 PHE A 26 -8.364 3.030 -1.887 1.00 0.40 C ATOM 386 CE2 PHE A 26 -7.410 3.868 0.139 1.00 0.38 C ATOM 387 CZ PHE A 26 -7.448 2.915 -0.859 1.00 0.39 C ATOM 0 H PHE A 26 -12.123 4.909 -2.126 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.428 5.595 0.663 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.275 6.562 -1.983 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -9.726 7.057 -0.394 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -9.952 4.186 -2.719 1.00 0.38 H new ATOM 0 HD2 PHE A 26 -8.249 5.680 0.888 1.00 0.37 H new ATOM 0 HE1 PHE A 26 -8.397 2.285 -2.668 1.00 0.40 H new ATOM 0 HE2 PHE A 26 -6.697 3.778 0.945 1.00 0.38 H new ATOM 0 HZ PHE A 26 -6.763 2.081 -0.836 1.00 0.39 H new ATOM 397 N ALA A 27 -13.163 7.391 0.652 1.00 0.53 N ATOM 398 CA ALA A 27 -14.047 8.546 0.729 1.00 0.62 C ATOM 399 C ALA A 27 -13.480 9.617 1.654 1.00 0.64 C ATOM 400 O ALA A 27 -13.479 9.459 2.874 1.00 0.65 O ATOM 401 CB ALA A 27 -15.429 8.120 1.199 1.00 0.65 C ATOM 0 H ALA A 27 -13.169 6.799 1.482 1.00 0.53 H new ATOM 0 HA ALA A 27 -14.128 8.975 -0.270 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.080 8.993 1.252 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -15.846 7.398 0.496 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -15.353 7.663 2.186 1.00 0.65 H new ATOM 479 N TYR A 33 -11.448 11.346 6.892 1.00 0.57 N ATOM 480 CA TYR A 33 -10.842 10.278 6.104 1.00 0.50 C ATOM 481 C TYR A 33 -11.506 8.940 6.412 1.00 0.46 C ATOM 482 O TYR A 33 -11.115 8.246 7.352 1.00 0.59 O ATOM 483 CB TYR A 33 -9.342 10.188 6.385 1.00 0.53 C ATOM 484 CG TYR A 33 -8.591 11.468 6.093 1.00 0.60 C ATOM 485 CD1 TYR A 33 -8.181 11.777 4.802 1.00 0.58 C ATOM 486 CD2 TYR A 33 -8.292 12.367 7.109 1.00 0.72 C ATOM 487 CE1 TYR A 33 -7.496 12.945 4.531 1.00 0.67 C ATOM 488 CE2 TYR A 33 -7.607 13.538 6.846 1.00 0.80 C ATOM 489 CZ TYR A 33 -7.207 13.819 5.556 1.00 0.76 C ATOM 490 OH TYR A 33 -6.528 14.986 5.291 1.00 0.86 O ATOM 0 HA TYR A 33 -10.991 10.511 5.050 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -9.193 9.920 7.431 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -8.917 9.383 5.786 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -8.402 11.092 3.997 1.00 0.58 H new ATOM 0 HD2 TYR A 33 -8.600 12.147 8.121 1.00 0.72 H new ATOM 0 HE1 TYR A 33 -7.188 13.172 3.521 1.00 0.67 H new ATOM 0 HE2 TYR A 33 -7.386 14.229 7.646 1.00 0.80 H new ATOM 0 HH TYR A 33 -6.288 15.016 4.341 1.00 0.86 H new ATOM 500 N GLU A 34 -12.510 8.584 5.618 1.00 0.46 N ATOM 501 CA GLU A 34 -13.228 7.330 5.812 1.00 0.42 C ATOM 502 C GLU A 34 -12.834 6.302 4.756 1.00 0.39 C ATOM 503 O GLU A 34 -12.922 6.563 3.556 1.00 0.46 O ATOM 504 CB GLU A 34 -14.737 7.570 5.769 1.00 0.50 C ATOM 505 CG GLU A 34 -15.233 8.528 6.840 1.00 0.55 C ATOM 506 CD GLU A 34 -16.742 8.676 6.835 1.00 1.50 C ATOM 507 OE1 GLU A 34 -17.418 7.898 7.541 1.00 1.48 O ATOM 508 OE2 GLU A 34 -17.249 9.570 6.125 1.00 2.46 O ATOM 0 H GLU A 34 -12.845 9.145 4.835 1.00 0.46 H new ATOM 0 HA GLU A 34 -12.957 6.936 6.791 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.006 7.964 4.789 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.251 6.616 5.881 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -14.910 8.173 7.818 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -14.775 9.505 6.688 1.00 0.55 H new ATOM 515 N ILE A 35 -12.398 5.132 5.213 1.00 0.34 N ATOM 516 CA ILE A 35 -11.992 4.058 4.315 1.00 0.32 C ATOM 517 C ILE A 35 -12.775 2.782 4.609 1.00 0.26 C ATOM 518 O ILE A 35 -12.739 2.267 5.726 1.00 0.32 O ATOM 519 CB ILE A 35 -10.484 3.764 4.440 1.00 0.39 C ATOM 520 CG1 ILE A 35 -9.676 5.057 4.293 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.053 2.741 3.398 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.202 4.890 4.591 1.00 0.54 C ATOM 0 H ILE A 35 -12.317 4.904 6.204 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.205 4.390 3.299 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.292 3.347 5.429 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -9.792 5.434 3.277 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.090 5.812 4.962 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -8.986 2.545 3.500 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -10.608 1.815 3.546 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.256 3.130 2.400 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -7.695 5.847 4.466 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.075 4.543 5.617 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -7.773 4.160 3.905 1.00 0.54 H new ATOM 534 N TYR A 36 -13.484 2.275 3.603 1.00 0.21 N ATOM 535 CA TYR A 36 -14.274 1.058 3.767 1.00 0.21 C ATOM 536 C TYR A 36 -14.225 0.193 2.511 1.00 0.23 C ATOM 537 O TYR A 36 -13.993 0.689 1.408 1.00 0.48 O ATOM 538 CB TYR A 36 -15.726 1.409 4.103 1.00 0.29 C ATOM 539 CG TYR A 36 -16.376 2.348 3.112 1.00 1.07 C ATOM 540 CD1 TYR A 36 -17.050 1.859 2.001 1.00 2.26 C ATOM 541 CD2 TYR A 36 -16.311 3.725 3.284 1.00 0.96 C ATOM 542 CE1 TYR A 36 -17.641 2.714 1.090 1.00 3.30 C ATOM 543 CE2 TYR A 36 -16.900 4.587 2.377 1.00 1.97 C ATOM 544 CZ TYR A 36 -17.577 4.076 1.292 1.00 3.14 C ATOM 545 OH TYR A 36 -18.149 4.929 0.377 1.00 4.17 O ATOM 0 H TYR A 36 -13.528 2.686 2.670 1.00 0.21 H new ATOM 0 HA TYR A 36 -13.843 0.488 4.590 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.309 0.489 4.153 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -15.760 1.862 5.094 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -17.114 0.792 1.846 1.00 2.26 H new ATOM 0 HD2 TYR A 36 -15.792 4.129 4.140 1.00 0.96 H new ATOM 0 HE1 TYR A 36 -18.150 2.317 0.224 1.00 3.30 H new ATOM 0 HE2 TYR A 36 -16.829 5.655 2.519 1.00 1.97 H new ATOM 0 HH TYR A 36 -18.017 5.856 0.667 1.00 4.17 H new ATOM 555 N VAL A 37 -14.444 -1.107 2.694 1.00 0.19 N ATOM 556 CA VAL A 37 -14.428 -2.054 1.585 1.00 0.17 C ATOM 557 C VAL A 37 -15.842 -2.489 1.216 1.00 0.18 C ATOM 558 O VAL A 37 -16.546 -3.090 2.028 1.00 0.27 O ATOM 559 CB VAL A 37 -13.593 -3.304 1.927 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.429 -4.192 0.705 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.236 -2.907 2.492 1.00 0.24 C ATOM 0 H VAL A 37 -14.635 -1.528 3.603 1.00 0.19 H new ATOM 0 HA VAL A 37 -13.973 -1.542 0.737 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.126 -3.871 2.690 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -12.837 -5.068 0.969 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.410 -4.510 0.352 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -12.923 -3.636 -0.084 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -11.663 -3.804 2.727 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.695 -2.313 1.755 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.377 -2.319 3.399 1.00 0.24 H new ATOM 571 N GLU A 38 -16.254 -2.183 -0.011 1.00 0.24 N ATOM 572 CA GLU A 38 -17.587 -2.544 -0.483 1.00 0.27 C ATOM 573 C GLU A 38 -17.586 -3.929 -1.122 1.00 0.31 C ATOM 574 O GLU A 38 -16.595 -4.347 -1.719 1.00 0.39 O ATOM 575 CB GLU A 38 -18.094 -1.507 -1.488 1.00 0.29 C ATOM 576 CG GLU A 38 -18.302 -0.127 -0.885 1.00 0.33 C ATOM 577 CD GLU A 38 -19.383 -0.111 0.176 1.00 1.05 C ATOM 578 OE1 GLU A 38 -19.074 -0.425 1.345 1.00 2.07 O ATOM 579 OE2 GLU A 38 -20.541 0.218 -0.160 1.00 0.89 O ATOM 0 H GLU A 38 -15.684 -1.686 -0.696 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.254 -2.563 0.379 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.382 -1.432 -2.310 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -19.036 -1.855 -1.913 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -17.365 0.220 -0.449 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -18.564 0.575 -1.676 1.00 0.33 H new ATOM 586 N ASP A 39 -18.705 -4.637 -0.990 1.00 0.35 N ATOM 587 CA ASP A 39 -18.836 -5.975 -1.556 1.00 0.43 C ATOM 588 C ASP A 39 -19.651 -5.940 -2.845 1.00 0.47 C ATOM 589 O ASP A 39 -20.853 -5.677 -2.824 1.00 0.61 O ATOM 590 CB ASP A 39 -19.495 -6.918 -0.546 1.00 0.52 C ATOM 591 CG ASP A 39 -19.686 -8.318 -1.100 1.00 1.42 C ATOM 592 OD1 ASP A 39 -18.726 -9.114 -1.040 1.00 1.91 O ATOM 593 OD2 ASP A 39 -20.794 -8.615 -1.592 1.00 2.20 O ATOM 0 H ASP A 39 -19.534 -4.306 -0.496 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.837 -6.345 -1.787 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -18.883 -6.967 0.354 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -20.463 -6.512 -0.252 1.00 0.52 H new ATOM 598 N LEU A 40 -18.987 -6.210 -3.966 1.00 0.46 N ATOM 599 CA LEU A 40 -19.645 -6.206 -5.267 1.00 0.53 C ATOM 600 C LEU A 40 -19.925 -7.626 -5.744 1.00 0.57 C ATOM 601 O LEU A 40 -19.094 -8.521 -5.586 1.00 0.62 O ATOM 602 CB LEU A 40 -18.775 -5.481 -6.296 1.00 0.62 C ATOM 603 CG LEU A 40 -18.421 -4.034 -5.948 1.00 0.86 C ATOM 604 CD1 LEU A 40 -17.401 -3.489 -6.935 1.00 1.05 C ATOM 605 CD2 LEU A 40 -19.672 -3.167 -5.937 1.00 1.02 C ATOM 0 H LEU A 40 -17.993 -6.434 -3.998 1.00 0.46 H new ATOM 0 HA LEU A 40 -20.595 -5.682 -5.161 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -17.850 -6.043 -6.426 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -19.292 -5.491 -7.256 1.00 0.62 H new ATOM 0 HG LEU A 40 -17.982 -4.014 -4.950 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -17.158 -2.459 -6.676 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -16.496 -4.096 -6.896 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -17.816 -3.521 -7.942 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -19.401 -2.141 -5.688 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -20.139 -3.190 -6.921 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -20.372 -3.548 -5.194 1.00 1.02 H new ATOM 732 N ASP A 47 -13.137 2.981 -7.663 1.00 0.48 N ATOM 733 CA ASP A 47 -12.116 4.018 -7.594 1.00 0.44 C ATOM 734 C ASP A 47 -10.735 3.455 -7.919 1.00 0.39 C ATOM 735 O ASP A 47 -10.411 2.326 -7.547 1.00 0.42 O ATOM 736 CB ASP A 47 -12.102 4.650 -6.202 1.00 0.45 C ATOM 737 CG ASP A 47 -11.078 5.761 -6.078 1.00 1.22 C ATOM 738 OD1 ASP A 47 -11.402 6.910 -6.442 1.00 1.14 O ATOM 739 OD2 ASP A 47 -9.951 5.480 -5.617 1.00 2.20 O ATOM 0 HA ASP A 47 -12.359 4.779 -8.336 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -13.092 5.046 -5.977 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -11.890 3.881 -5.460 1.00 0.45 H new ATOM 744 N LYS A 48 -9.928 4.249 -8.616 1.00 0.37 N ATOM 745 CA LYS A 48 -8.579 3.836 -8.983 1.00 0.34 C ATOM 746 C LYS A 48 -7.553 4.482 -8.060 1.00 0.30 C ATOM 747 O LYS A 48 -7.808 5.533 -7.472 1.00 0.39 O ATOM 748 CB LYS A 48 -8.274 4.204 -10.437 1.00 0.41 C ATOM 749 CG LYS A 48 -8.779 3.186 -11.448 1.00 0.46 C ATOM 750 CD LYS A 48 -10.297 3.163 -11.513 1.00 0.64 C ATOM 751 CE LYS A 48 -10.793 2.210 -12.588 1.00 0.82 C ATOM 752 NZ LYS A 48 -12.278 2.211 -12.691 1.00 1.35 N ATOM 0 H LYS A 48 -10.185 5.182 -8.938 1.00 0.37 H new ATOM 0 HA LYS A 48 -8.519 2.753 -8.877 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -8.721 5.173 -10.658 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -7.196 4.315 -10.555 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -8.376 3.421 -12.433 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.411 2.195 -11.181 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -10.699 2.863 -10.545 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -10.669 4.167 -11.716 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -10.363 2.492 -13.549 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -10.445 1.201 -12.367 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -12.575 1.548 -13.435 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -12.689 1.918 -11.782 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -12.609 3.168 -12.928 1.00 1.35 H new ATOM 766 N VAL A 49 -6.391 3.848 -7.935 1.00 0.29 N ATOM 767 CA VAL A 49 -5.332 4.365 -7.078 1.00 0.27 C ATOM 768 C VAL A 49 -4.018 4.489 -7.839 1.00 0.23 C ATOM 769 O VAL A 49 -3.531 3.520 -8.422 1.00 0.28 O ATOM 770 CB VAL A 49 -5.117 3.459 -5.850 1.00 0.31 C ATOM 771 CG1 VAL A 49 -4.072 4.053 -4.917 1.00 0.61 C ATOM 772 CG2 VAL A 49 -6.431 3.236 -5.118 1.00 0.87 C ATOM 0 H VAL A 49 -6.160 2.978 -8.415 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.648 5.353 -6.744 1.00 0.27 H new ATOM 0 HB VAL A 49 -4.749 2.493 -6.196 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -3.937 3.397 -4.057 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -3.126 4.155 -5.448 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.404 5.034 -4.576 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -6.262 2.594 -4.253 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -6.830 4.195 -4.786 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -7.145 2.759 -5.789 1.00 0.87 H new ATOM 782 N LEU A 50 -3.446 5.690 -7.834 1.00 0.21 N ATOM 783 CA LEU A 50 -2.185 5.935 -8.520 1.00 0.21 C ATOM 784 C LEU A 50 -1.039 5.245 -7.789 1.00 0.20 C ATOM 785 O LEU A 50 -0.584 5.715 -6.746 1.00 0.26 O ATOM 786 CB LEU A 50 -1.913 7.438 -8.619 1.00 0.24 C ATOM 787 CG LEU A 50 -0.620 7.818 -9.345 1.00 0.29 C ATOM 788 CD1 LEU A 50 -0.675 7.388 -10.803 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.371 9.316 -9.238 1.00 0.35 C ATOM 0 H LEU A 50 -3.836 6.506 -7.363 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.257 5.525 -9.527 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -2.751 7.910 -9.131 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -1.881 7.853 -7.611 1.00 0.24 H new ATOM 0 HG LEU A 50 0.208 7.295 -8.867 1.00 0.29 H new ATOM 0 HD11 LEU A 50 0.254 7.668 -11.300 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -0.805 6.307 -10.859 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.513 7.880 -11.296 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.552 9.570 -9.759 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -1.203 9.856 -9.690 1.00 0.35 H new ATOM 0 HD23 LEU A 50 -0.284 9.596 -8.188 1.00 0.35 H new ATOM 801 N LEU A 51 -0.581 4.124 -8.339 1.00 0.20 N ATOM 802 CA LEU A 51 0.508 3.367 -7.734 1.00 0.22 C ATOM 803 C LEU A 51 1.825 3.621 -8.453 1.00 0.23 C ATOM 804 O LEU A 51 1.902 3.546 -9.681 1.00 0.37 O ATOM 805 CB LEU A 51 0.187 1.872 -7.734 1.00 0.24 C ATOM 806 CG LEU A 51 -0.526 1.378 -6.476 1.00 0.58 C ATOM 807 CD1 LEU A 51 -1.978 1.823 -6.466 1.00 0.98 C ATOM 808 CD2 LEU A 51 -0.433 -0.133 -6.351 1.00 1.50 C ATOM 0 H LEU A 51 -0.947 3.721 -9.201 1.00 0.20 H new ATOM 0 HA LEU A 51 0.614 3.706 -6.703 1.00 0.22 H new ATOM 0 HB2 LEU A 51 -0.434 1.646 -8.601 1.00 0.24 H new ATOM 0 HB3 LEU A 51 1.116 1.314 -7.853 1.00 0.24 H new ATOM 0 HG LEU A 51 -0.024 1.821 -5.616 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.464 1.459 -5.561 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -2.025 2.912 -6.490 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -2.489 1.418 -7.340 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -0.949 -0.456 -5.447 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -0.897 -0.599 -7.220 1.00 1.50 H new ATOM 0 HD23 LEU A 51 0.614 -0.430 -6.296 1.00 1.50 H new ATOM 820 N SER A 52 2.864 3.922 -7.677 1.00 0.17 N ATOM 821 CA SER A 52 4.185 4.187 -8.236 1.00 0.18 C ATOM 822 C SER A 52 5.250 3.341 -7.543 1.00 0.20 C ATOM 823 O SER A 52 5.367 3.354 -6.319 1.00 0.28 O ATOM 824 CB SER A 52 4.530 5.671 -8.107 1.00 0.18 C ATOM 825 OG SER A 52 5.818 5.944 -8.633 1.00 1.18 O ATOM 0 H SER A 52 2.815 3.988 -6.660 1.00 0.17 H new ATOM 0 HA SER A 52 4.165 3.918 -9.292 1.00 0.18 H new ATOM 0 HB2 SER A 52 3.785 6.268 -8.633 1.00 0.18 H new ATOM 0 HB3 SER A 52 4.492 5.966 -7.058 1.00 0.18 H new ATOM 0 HG SER A 52 6.461 6.025 -7.898 1.00 1.18 H new ATOM 831 N TYR A 53 6.026 2.609 -8.337 1.00 0.19 N ATOM 832 CA TYR A 53 7.081 1.755 -7.800 1.00 0.21 C ATOM 833 C TYR A 53 8.377 2.538 -7.614 1.00 0.20 C ATOM 834 O TYR A 53 8.659 3.477 -8.358 1.00 0.21 O ATOM 835 CB TYR A 53 7.321 0.561 -8.725 1.00 0.25 C ATOM 836 CG TYR A 53 6.218 -0.473 -8.681 1.00 0.36 C ATOM 837 CD1 TYR A 53 4.943 -0.181 -9.149 1.00 0.52 C ATOM 838 CD2 TYR A 53 6.455 -1.742 -8.168 1.00 0.52 C ATOM 839 CE1 TYR A 53 3.934 -1.126 -9.108 1.00 0.65 C ATOM 840 CE2 TYR A 53 5.452 -2.692 -8.125 1.00 0.64 C ATOM 841 CZ TYR A 53 4.194 -2.379 -8.594 1.00 0.66 C ATOM 842 OH TYR A 53 3.192 -3.322 -8.552 1.00 0.82 O ATOM 0 H TYR A 53 5.944 2.590 -9.354 1.00 0.19 H new ATOM 0 HA TYR A 53 6.756 1.391 -6.825 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.429 0.921 -9.748 1.00 0.25 H new ATOM 0 HB3 TYR A 53 8.264 0.086 -8.453 1.00 0.25 H new ATOM 0 HD1 TYR A 53 4.736 0.800 -9.551 1.00 0.52 H new ATOM 0 HD2 TYR A 53 7.438 -1.990 -7.797 1.00 0.52 H new ATOM 0 HE1 TYR A 53 2.948 -0.884 -9.476 1.00 0.65 H new ATOM 0 HE2 TYR A 53 5.653 -3.675 -7.726 1.00 0.64 H new ATOM 0 HH TYR A 53 2.542 -3.140 -9.262 1.00 0.82 H new ATOM 852 N TYR A 54 9.162 2.143 -6.614 1.00 0.21 N ATOM 853 CA TYR A 54 10.429 2.809 -6.327 1.00 0.22 C ATOM 854 C TYR A 54 11.537 1.791 -6.069 1.00 0.25 C ATOM 855 O TYR A 54 11.337 0.809 -5.356 1.00 0.31 O ATOM 856 CB TYR A 54 10.283 3.734 -5.119 1.00 0.22 C ATOM 857 CG TYR A 54 9.465 4.975 -5.401 1.00 0.23 C ATOM 858 CD1 TYR A 54 8.078 4.930 -5.415 1.00 0.22 C ATOM 859 CD2 TYR A 54 10.084 6.192 -5.659 1.00 0.31 C ATOM 860 CE1 TYR A 54 7.329 6.062 -5.676 1.00 0.25 C ATOM 861 CE2 TYR A 54 9.342 7.330 -5.920 1.00 0.35 C ATOM 862 CZ TYR A 54 7.966 7.258 -5.927 1.00 0.30 C ATOM 863 OH TYR A 54 7.224 8.387 -6.187 1.00 0.35 O ATOM 0 H TYR A 54 8.943 1.366 -5.990 1.00 0.21 H new ATOM 0 HA TYR A 54 10.701 3.402 -7.200 1.00 0.22 H new ATOM 0 HB2 TYR A 54 9.819 3.181 -4.303 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.275 4.032 -4.779 1.00 0.22 H new ATOM 0 HD1 TYR A 54 7.575 3.995 -5.219 1.00 0.22 H new ATOM 0 HD2 TYR A 54 11.162 6.250 -5.656 1.00 0.31 H new ATOM 0 HE1 TYR A 54 6.250 6.009 -5.683 1.00 0.25 H new ATOM 0 HE2 TYR A 54 9.838 8.269 -6.117 1.00 0.35 H new ATOM 0 HH TYR A 54 7.825 9.145 -6.342 1.00 0.35 H new ATOM 873 N GLU A 55 12.704 2.034 -6.658 1.00 0.26 N ATOM 874 CA GLU A 55 13.846 1.143 -6.492 1.00 0.30 C ATOM 875 C GLU A 55 14.586 1.442 -5.192 1.00 0.33 C ATOM 876 O GLU A 55 14.870 2.599 -4.880 1.00 0.53 O ATOM 877 CB GLU A 55 14.801 1.281 -7.679 1.00 0.44 C ATOM 878 CG GLU A 55 15.047 -0.025 -8.416 1.00 1.14 C ATOM 879 CD GLU A 55 15.972 0.144 -9.606 1.00 1.52 C ATOM 880 OE1 GLU A 55 15.475 0.480 -10.701 1.00 1.73 O ATOM 881 OE2 GLU A 55 17.193 -0.062 -9.442 1.00 2.05 O ATOM 0 H GLU A 55 12.883 2.841 -7.255 1.00 0.26 H new ATOM 0 HA GLU A 55 13.474 0.119 -6.449 1.00 0.30 H new ATOM 0 HB2 GLU A 55 14.395 2.012 -8.378 1.00 0.44 H new ATOM 0 HB3 GLU A 55 15.754 1.674 -7.324 1.00 0.44 H new ATOM 0 HG2 GLU A 55 15.476 -0.752 -7.727 1.00 1.14 H new ATOM 0 HG3 GLU A 55 14.094 -0.432 -8.755 1.00 1.14 H new ATOM 888 N SER A 56 14.895 0.392 -4.436 1.00 0.45 N ATOM 889 CA SER A 56 15.605 0.543 -3.171 1.00 0.57 C ATOM 890 C SER A 56 17.107 0.668 -3.407 1.00 0.83 C ATOM 891 O SER A 56 17.670 -0.024 -4.255 1.00 1.21 O ATOM 892 CB SER A 56 15.316 -0.647 -2.256 1.00 0.71 C ATOM 893 OG SER A 56 15.978 -0.509 -1.011 1.00 1.19 O ATOM 0 H SER A 56 14.665 -0.572 -4.678 1.00 0.45 H new ATOM 0 HA SER A 56 15.253 1.455 -2.688 1.00 0.57 H new ATOM 0 HB2 SER A 56 14.242 -0.731 -2.092 1.00 0.71 H new ATOM 0 HB3 SER A 56 15.637 -1.569 -2.741 1.00 0.71 H new ATOM 0 HG SER A 56 15.908 -1.347 -0.508 1.00 1.19 H new ATOM 1060 N LYS A 70 16.734 -7.122 -5.445 1.00 0.67 N ATOM 1061 CA LYS A 70 16.435 -5.952 -4.626 1.00 0.60 C ATOM 1062 C LYS A 70 14.933 -5.805 -4.410 1.00 0.51 C ATOM 1063 O LYS A 70 14.138 -6.050 -5.319 1.00 0.50 O ATOM 1064 CB LYS A 70 16.993 -4.690 -5.288 1.00 0.66 C ATOM 1065 CG LYS A 70 18.497 -4.734 -5.519 1.00 0.76 C ATOM 1066 CD LYS A 70 19.269 -4.863 -4.212 1.00 1.25 C ATOM 1067 CE LYS A 70 19.063 -3.652 -3.316 1.00 1.58 C ATOM 1068 NZ LYS A 70 19.408 -2.381 -4.011 1.00 2.43 N ATOM 0 HA LYS A 70 16.909 -6.088 -3.654 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.492 -4.540 -6.244 1.00 0.66 H new ATOM 0 HB3 LYS A 70 16.755 -3.828 -4.665 1.00 0.66 H new ATOM 0 HG2 LYS A 70 18.740 -5.575 -6.169 1.00 0.76 H new ATOM 0 HG3 LYS A 70 18.811 -3.829 -6.038 1.00 0.76 H new ATOM 0 HD2 LYS A 70 18.948 -5.763 -3.687 1.00 1.25 H new ATOM 0 HD3 LYS A 70 20.331 -4.981 -4.427 1.00 1.25 H new ATOM 0 HE2 LYS A 70 18.024 -3.616 -2.988 1.00 1.58 H new ATOM 0 HE3 LYS A 70 19.677 -3.754 -2.421 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 19.990 -1.790 -3.384 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 19.940 -2.593 -4.879 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 18.535 -1.871 -4.255 1.00 2.43 H new ATOM 1082 N MET A 71 14.549 -5.400 -3.202 1.00 0.45 N ATOM 1083 CA MET A 71 13.140 -5.220 -2.866 1.00 0.36 C ATOM 1084 C MET A 71 12.581 -3.963 -3.523 1.00 0.33 C ATOM 1085 O MET A 71 13.177 -2.889 -3.441 1.00 0.36 O ATOM 1086 CB MET A 71 12.958 -5.149 -1.347 1.00 0.35 C ATOM 1087 CG MET A 71 13.735 -4.021 -0.686 1.00 0.39 C ATOM 1088 SD MET A 71 13.446 -3.930 1.092 1.00 0.40 S ATOM 1089 CE MET A 71 14.494 -2.550 1.540 1.00 0.47 C ATOM 0 H MET A 71 15.194 -5.190 -2.440 1.00 0.45 H new ATOM 0 HA MET A 71 12.588 -6.080 -3.246 1.00 0.36 H new ATOM 0 HB2 MET A 71 11.898 -5.027 -1.123 1.00 0.35 H new ATOM 0 HB3 MET A 71 13.269 -6.097 -0.909 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.800 -4.161 -0.871 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.454 -3.073 -1.145 1.00 0.39 H new ATOM 0 HE1 MET A 71 14.422 -2.371 2.613 1.00 0.47 H new ATOM 0 HE2 MET A 71 15.527 -2.778 1.279 1.00 0.47 H new ATOM 0 HE3 MET A 71 14.172 -1.659 1.001 1.00 0.47 H new ATOM 1099 N LEU A 72 11.432 -4.105 -4.177 1.00 0.30 N ATOM 1100 CA LEU A 72 10.792 -2.982 -4.850 1.00 0.29 C ATOM 1101 C LEU A 72 9.697 -2.372 -3.980 1.00 0.28 C ATOM 1102 O LEU A 72 8.808 -3.075 -3.499 1.00 0.33 O ATOM 1103 CB LEU A 72 10.204 -3.433 -6.190 1.00 0.29 C ATOM 1104 CG LEU A 72 11.220 -3.991 -7.191 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.513 -4.517 -8.429 1.00 0.34 C ATOM 1106 CD2 LEU A 72 12.239 -2.926 -7.571 1.00 0.34 C ATOM 0 H LEU A 72 10.926 -4.987 -4.255 1.00 0.30 H new ATOM 0 HA LEU A 72 11.551 -2.220 -5.030 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.449 -4.196 -5.999 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.693 -2.586 -6.648 1.00 0.29 H new ATOM 0 HG LEU A 72 11.749 -4.818 -6.718 1.00 0.32 H new ATOM 0 HD11 LEU A 72 11.250 -4.910 -9.130 1.00 0.34 H new ATOM 0 HD12 LEU A 72 9.824 -5.312 -8.144 1.00 0.34 H new ATOM 0 HD13 LEU A 72 9.958 -3.707 -8.902 1.00 0.34 H new ATOM 0 HD21 LEU A 72 12.952 -3.342 -8.283 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.727 -2.078 -8.025 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.769 -2.595 -6.678 1.00 0.34 H new ATOM 1118 N MET A 73 9.771 -1.060 -3.784 1.00 0.26 N ATOM 1119 CA MET A 73 8.790 -0.349 -2.973 1.00 0.26 C ATOM 1120 C MET A 73 7.619 0.127 -3.827 1.00 0.21 C ATOM 1121 O MET A 73 7.684 0.100 -5.057 1.00 0.20 O ATOM 1122 CB MET A 73 9.448 0.844 -2.275 1.00 0.30 C ATOM 1123 CG MET A 73 10.573 0.448 -1.333 1.00 0.36 C ATOM 1124 SD MET A 73 11.390 1.873 -0.588 1.00 1.17 S ATOM 1125 CE MET A 73 12.089 2.659 -2.037 1.00 0.80 C ATOM 0 H MET A 73 10.502 -0.467 -4.177 1.00 0.26 H new ATOM 0 HA MET A 73 8.408 -1.038 -2.220 1.00 0.26 H new ATOM 0 HB2 MET A 73 9.839 1.526 -3.030 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.690 1.390 -1.714 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.174 -0.190 -0.545 1.00 0.36 H new ATOM 0 HG3 MET A 73 11.308 -0.143 -1.880 1.00 0.36 H new ATOM 0 HE1 MET A 73 13.107 2.983 -1.820 1.00 0.80 H new ATOM 0 HE2 MET A 73 12.103 1.950 -2.865 1.00 0.80 H new ATOM 0 HE3 MET A 73 11.484 3.523 -2.310 1.00 0.80 H new ATOM 1135 N VAL A 74 6.552 0.566 -3.166 1.00 0.20 N ATOM 1136 CA VAL A 74 5.366 1.044 -3.863 1.00 0.16 C ATOM 1137 C VAL A 74 4.661 2.142 -3.076 1.00 0.17 C ATOM 1138 O VAL A 74 4.632 2.123 -1.844 1.00 0.24 O ATOM 1139 CB VAL A 74 4.355 -0.098 -4.120 1.00 0.18 C ATOM 1140 CG1 VAL A 74 3.831 -0.664 -2.810 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.204 0.388 -4.984 1.00 0.14 C ATOM 0 H VAL A 74 6.486 0.600 -2.149 1.00 0.20 H new ATOM 0 HA VAL A 74 5.713 1.442 -4.816 1.00 0.16 H new ATOM 0 HB VAL A 74 4.876 -0.894 -4.653 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.122 -1.465 -3.018 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.662 -1.058 -2.225 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.332 0.125 -2.246 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.505 -0.431 -5.153 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.690 1.206 -4.479 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.590 0.738 -5.941 1.00 0.14 H new ATOM 1151 N THR A 75 4.099 3.102 -3.801 1.00 0.12 N ATOM 1152 CA THR A 75 3.364 4.194 -3.188 1.00 0.12 C ATOM 1153 C THR A 75 1.929 4.181 -3.692 1.00 0.11 C ATOM 1154 O THR A 75 1.689 4.075 -4.898 1.00 0.11 O ATOM 1155 CB THR A 75 4.000 5.562 -3.488 1.00 0.16 C ATOM 1156 OG1 THR A 75 4.072 5.771 -4.903 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.392 5.655 -2.882 1.00 0.18 C ATOM 0 H THR A 75 4.141 3.143 -4.819 1.00 0.12 H new ATOM 0 HA THR A 75 3.391 4.047 -2.108 1.00 0.12 H new ATOM 0 HB THR A 75 3.375 6.335 -3.041 1.00 0.16 H new ATOM 0 HG1 THR A 75 4.516 5.006 -5.325 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.822 6.631 -3.107 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.328 5.527 -1.801 1.00 0.18 H new ATOM 0 HG23 THR A 75 6.025 4.874 -3.303 1.00 0.18 H new ATOM 1165 N LEU A 76 0.985 4.296 -2.766 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.429 4.273 -3.109 1.00 0.14 C ATOM 1167 C LEU A 76 -1.050 5.658 -2.958 1.00 0.14 C ATOM 1168 O LEU A 76 -1.094 6.213 -1.861 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.157 3.258 -2.218 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.366 1.972 -1.922 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.183 1.003 -1.090 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.065 1.299 -3.210 1.00 0.16 C ATOM 0 H LEU A 76 1.175 4.406 -1.770 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.532 3.974 -4.152 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.407 3.740 -1.273 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -2.098 2.986 -2.696 1.00 0.18 H new ATOM 0 HG LEU A 76 0.519 2.257 -1.354 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.597 0.104 -0.898 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.450 1.472 -0.143 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -2.091 0.735 -1.631 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.623 0.392 -2.978 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.816 1.043 -3.799 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.698 1.978 -3.781 1.00 0.16 H new ATOM 1184 N SER A 77 -1.525 6.212 -4.072 1.00 0.20 N ATOM 1185 CA SER A 77 -2.139 7.536 -4.065 1.00 0.23 C ATOM 1186 C SER A 77 -3.541 7.501 -4.675 1.00 0.23 C ATOM 1187 O SER A 77 -3.711 7.765 -5.866 1.00 0.19 O ATOM 1188 CB SER A 77 -1.263 8.527 -4.834 1.00 0.26 C ATOM 1189 OG SER A 77 -1.790 9.842 -4.759 1.00 0.29 O ATOM 0 H SER A 77 -1.496 5.765 -4.988 1.00 0.20 H new ATOM 0 HA SER A 77 -2.227 7.859 -3.028 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.252 8.514 -4.428 1.00 0.26 H new ATOM 0 HB3 SER A 77 -1.191 8.220 -5.877 1.00 0.26 H new ATOM 0 HG SER A 77 -2.599 9.902 -5.309 1.00 0.29 H new ATOM 1195 N PRO A 78 -4.566 7.170 -3.866 1.00 0.30 N ATOM 1196 CA PRO A 78 -5.955 7.110 -4.336 1.00 0.33 C ATOM 1197 C PRO A 78 -6.535 8.497 -4.584 1.00 0.34 C ATOM 1198 O PRO A 78 -7.619 8.637 -5.151 1.00 0.41 O ATOM 1199 CB PRO A 78 -6.689 6.425 -3.182 1.00 0.39 C ATOM 1200 CG PRO A 78 -5.882 6.752 -1.975 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.452 6.821 -2.437 1.00 0.37 C ATOM 0 HA PRO A 78 -6.045 6.585 -5.287 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -7.710 6.794 -3.088 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -6.752 5.348 -3.336 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -6.198 7.700 -1.540 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -6.007 5.991 -1.205 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -3.888 7.572 -1.884 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -3.939 5.870 -2.296 1.00 0.37 H new ATOM 1209 N THR A 79 -5.803 9.518 -4.153 1.00 0.34 N ATOM 1210 CA THR A 79 -6.235 10.899 -4.319 1.00 0.37 C ATOM 1211 C THR A 79 -5.181 11.717 -5.059 1.00 0.36 C ATOM 1212 O THR A 79 -4.338 11.164 -5.765 1.00 0.32 O ATOM 1213 CB THR A 79 -6.521 11.558 -2.959 1.00 0.44 C ATOM 1214 OG1 THR A 79 -5.339 11.536 -2.155 1.00 0.52 O ATOM 1215 CG2 THR A 79 -7.648 10.838 -2.234 1.00 0.51 C ATOM 0 H THR A 79 -4.903 9.413 -3.684 1.00 0.34 H new ATOM 0 HA THR A 79 -7.153 10.880 -4.907 1.00 0.37 H new ATOM 0 HB THR A 79 -6.827 12.590 -3.133 1.00 0.44 H new ATOM 0 HG1 THR A 79 -5.319 10.712 -1.625 1.00 0.52 H new ATOM 0 HG21 THR A 79 -7.832 11.322 -1.275 1.00 0.51 H new ATOM 0 HG22 THR A 79 -8.553 10.877 -2.840 1.00 0.51 H new ATOM 0 HG23 THR A 79 -7.367 9.798 -2.067 1.00 0.51 H new ATOM 1223 N LYS A 80 -5.232 13.037 -4.896 1.00 0.41 N ATOM 1224 CA LYS A 80 -4.286 13.926 -5.557 1.00 0.43 C ATOM 1225 C LYS A 80 -2.968 14.038 -4.784 1.00 0.43 C ATOM 1226 O LYS A 80 -2.010 13.321 -5.074 1.00 0.47 O ATOM 1227 CB LYS A 80 -4.906 15.314 -5.751 1.00 0.46 C ATOM 1228 CG LYS A 80 -6.321 15.287 -6.314 1.00 0.44 C ATOM 1229 CD LYS A 80 -6.404 14.475 -7.596 1.00 0.43 C ATOM 1230 CE LYS A 80 -7.795 14.544 -8.209 1.00 1.19 C ATOM 1231 NZ LYS A 80 -8.839 14.046 -7.273 1.00 2.08 N ATOM 0 H LYS A 80 -5.919 13.513 -4.311 1.00 0.41 H new ATOM 0 HA LYS A 80 -4.059 13.494 -6.532 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -4.917 15.833 -4.792 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -4.271 15.894 -6.420 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -6.999 14.865 -5.572 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -6.655 16.307 -6.507 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -5.671 14.847 -8.312 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -6.148 13.436 -7.388 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -8.018 15.574 -8.487 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -7.818 13.954 -9.125 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -9.742 13.949 -7.780 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -8.553 13.120 -6.895 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -8.952 14.720 -6.489 1.00 2.08 H new ATOM 1245 N ASP A 81 -2.926 14.937 -3.800 1.00 0.41 N ATOM 1246 CA ASP A 81 -1.713 15.157 -3.010 1.00 0.43 C ATOM 1247 C ASP A 81 -1.656 14.281 -1.758 1.00 0.43 C ATOM 1248 O ASP A 81 -0.585 14.088 -1.185 1.00 0.61 O ATOM 1249 CB ASP A 81 -1.611 16.630 -2.610 1.00 0.42 C ATOM 1250 CG ASP A 81 -1.520 17.551 -3.812 1.00 0.44 C ATOM 1251 OD1 ASP A 81 -0.421 17.658 -4.396 1.00 0.48 O ATOM 1252 OD2 ASP A 81 -2.550 18.162 -4.169 1.00 0.44 O ATOM 0 H ASP A 81 -3.716 15.524 -3.531 1.00 0.41 H new ATOM 0 HA ASP A 81 -0.869 14.878 -3.640 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -2.481 16.902 -2.012 1.00 0.42 H new ATOM 0 HB3 ASP A 81 -0.733 16.772 -1.979 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.800 13.756 -1.329 1.00 0.31 N ATOM 1258 CA PHE A 82 -2.843 12.922 -0.129 1.00 0.30 C ATOM 1259 C PHE A 82 -2.284 11.526 -0.402 1.00 0.27 C ATOM 1260 O PHE A 82 -2.676 10.866 -1.365 1.00 0.32 O ATOM 1261 CB PHE A 82 -4.274 12.821 0.405 1.00 0.31 C ATOM 1262 CG PHE A 82 -4.894 14.152 0.718 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -4.721 14.736 1.962 1.00 0.34 C ATOM 1264 CD2 PHE A 82 -5.651 14.819 -0.232 1.00 0.43 C ATOM 1265 CE1 PHE A 82 -5.292 15.961 2.254 1.00 0.39 C ATOM 1266 CE2 PHE A 82 -6.226 16.044 0.055 1.00 0.47 C ATOM 1267 CZ PHE A 82 -6.044 16.616 1.299 1.00 0.44 C ATOM 0 H PHE A 82 -3.701 13.890 -1.787 1.00 0.31 H new ATOM 0 HA PHE A 82 -2.217 13.397 0.626 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -4.892 12.306 -0.330 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -4.274 12.208 1.307 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -4.133 14.229 2.713 1.00 0.34 H new ATOM 0 HD2 PHE A 82 -5.794 14.378 -1.207 1.00 0.43 H new ATOM 0 HE1 PHE A 82 -5.150 16.405 3.228 1.00 0.39 H new ATOM 0 HE2 PHE A 82 -6.817 16.553 -0.693 1.00 0.47 H new ATOM 0 HZ PHE A 82 -6.489 17.574 1.524 1.00 0.44 H new ATOM 1277 N TRP A 83 -1.364 11.088 0.456 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.745 9.771 0.321 1.00 0.20 C ATOM 1279 C TRP A 83 -1.018 8.913 1.553 1.00 0.19 C ATOM 1280 O TRP A 83 -1.406 9.424 2.606 1.00 0.22 O ATOM 1281 CB TRP A 83 0.766 9.905 0.116 1.00 0.21 C ATOM 1282 CG TRP A 83 1.151 10.323 -1.270 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.042 9.581 -2.411 1.00 0.25 C ATOM 1284 CD2 TRP A 83 1.721 11.578 -1.660 1.00 0.27 C ATOM 1285 NE1 TRP A 83 1.501 10.301 -3.487 1.00 0.31 N ATOM 1286 CE2 TRP A 83 1.924 11.529 -3.052 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.076 12.738 -0.967 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 2.465 12.598 -3.763 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 2.614 13.797 -1.675 1.00 0.38 C ATOM 1290 CH2 TRP A 83 2.804 13.720 -3.059 1.00 0.41 C ATOM 0 H TRP A 83 -1.030 11.628 1.254 1.00 0.22 H new ATOM 0 HA TRP A 83 -1.183 9.285 -0.551 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.157 10.633 0.827 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.241 8.950 0.343 1.00 0.21 H new ATOM 0 HD1 TRP A 83 0.652 8.575 -2.460 1.00 0.25 H new ATOM 0 HE1 TRP A 83 1.523 9.974 -4.453 1.00 0.31 H new ATOM 0 HE3 TRP A 83 1.933 12.806 0.101 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 2.611 12.542 -4.832 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 2.892 14.699 -1.151 1.00 0.38 H new ATOM 0 HH2 TRP A 83 3.227 14.565 -3.582 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.805 7.606 1.414 1.00 0.16 N ATOM 1302 CA LEU A 84 -1.023 6.669 2.511 1.00 0.17 C ATOM 1303 C LEU A 84 0.139 6.702 3.499 1.00 0.17 C ATOM 1304 O LEU A 84 1.299 6.550 3.114 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.197 5.247 1.970 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.635 4.848 1.622 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.212 5.775 0.564 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.681 3.402 1.148 1.00 0.16 C ATOM 0 H LEU A 84 -0.481 7.172 0.550 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.932 6.971 3.032 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.581 5.138 1.077 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.812 4.545 2.710 1.00 0.19 H new ATOM 0 HG LEU A 84 -3.244 4.940 2.521 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.233 5.472 0.333 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -3.213 6.799 0.938 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -2.604 5.719 -0.339 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.708 3.132 0.904 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -2.056 3.289 0.262 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -2.312 2.748 1.938 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.182 6.900 4.774 1.00 0.23 N ATOM 1321 CA HIS A 85 0.830 6.948 5.822 1.00 0.24 C ATOM 1322 C HIS A 85 0.456 6.026 6.978 1.00 0.27 C ATOM 1323 O HIS A 85 -0.647 6.110 7.521 1.00 0.36 O ATOM 1324 CB HIS A 85 1.006 8.380 6.331 1.00 0.24 C ATOM 1325 CG HIS A 85 1.515 9.327 5.288 1.00 0.23 C ATOM 1326 ND1 HIS A 85 0.692 10.168 4.568 1.00 0.29 N ATOM 1327 CD2 HIS A 85 2.773 9.567 4.846 1.00 0.33 C ATOM 1328 CE1 HIS A 85 1.420 10.881 3.729 1.00 0.29 C ATOM 1329 NE2 HIS A 85 2.686 10.536 3.879 1.00 0.30 N ATOM 0 H HIS A 85 -1.138 7.030 5.106 1.00 0.23 H new ATOM 0 HA HIS A 85 1.774 6.606 5.397 1.00 0.24 H new ATOM 0 HB2 HIS A 85 0.049 8.744 6.705 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.697 8.375 7.174 1.00 0.24 H new ATOM 0 HD2 HIS A 85 3.676 9.085 5.191 1.00 0.33 H new ATOM 0 HE1 HIS A 85 1.044 11.621 3.038 1.00 0.29 H new ATOM 0 HE2 HIS A 85 3.472 10.927 3.360 1.00 0.30 H new ATOM 1338 N ALA A 86 1.381 5.144 7.345 1.00 0.27 N ATOM 1339 CA ALA A 86 1.153 4.202 8.435 1.00 0.31 C ATOM 1340 C ALA A 86 1.459 4.837 9.787 1.00 0.29 C ATOM 1341 O ALA A 86 2.499 5.470 9.966 1.00 0.47 O ATOM 1342 CB ALA A 86 2.001 2.954 8.232 1.00 0.47 C ATOM 0 H ALA A 86 2.296 5.062 6.903 1.00 0.27 H new ATOM 0 HA ALA A 86 0.099 3.922 8.428 1.00 0.31 H new ATOM 0 HB1 ALA A 86 1.824 2.257 9.051 1.00 0.47 H new ATOM 0 HB2 ALA A 86 1.732 2.481 7.288 1.00 0.47 H new ATOM 0 HB3 ALA A 86 3.055 3.230 8.212 1.00 0.47 H new ATOM 1348 N ASN A 87 0.544 4.661 10.737 1.00 0.33 N ATOM 1349 CA ASN A 87 0.716 5.213 12.076 1.00 0.43 C ATOM 1350 C ASN A 87 0.770 4.099 13.116 1.00 0.46 C ATOM 1351 O ASN A 87 -0.187 3.341 13.276 1.00 0.53 O ATOM 1352 CB ASN A 87 -0.424 6.178 12.404 1.00 0.56 C ATOM 1353 CG ASN A 87 -0.453 7.372 11.472 1.00 1.09 C ATOM 1354 OD1 ASN A 87 0.172 8.399 11.739 1.00 1.83 O ATOM 1355 ND2 ASN A 87 -1.182 7.244 10.369 1.00 1.83 N ATOM 0 H ASN A 87 -0.323 4.141 10.604 1.00 0.33 H new ATOM 0 HA ASN A 87 1.660 5.758 12.101 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -1.375 5.648 12.342 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -0.319 6.525 13.432 1.00 0.56 H new ATOM 0 HD21 ASN A 87 -1.240 8.015 9.704 1.00 1.83 H new ATOM 0 HD22 ASN A 87 -1.684 6.375 10.187 1.00 1.83 H new ATOM 1362 N ASN A 88 1.893 4.005 13.823 1.00 0.49 N ATOM 1363 CA ASN A 88 2.069 2.978 14.845 1.00 0.56 C ATOM 1364 C ASN A 88 1.289 3.319 16.109 1.00 0.60 C ATOM 1365 O ASN A 88 1.150 2.490 17.006 1.00 0.73 O ATOM 1366 CB ASN A 88 3.552 2.804 15.178 1.00 0.65 C ATOM 1367 CG ASN A 88 4.167 4.053 15.775 1.00 1.56 C ATOM 1368 OD1 ASN A 88 3.764 5.172 15.457 1.00 2.56 O ATOM 1369 ND2 ASN A 88 5.149 3.869 16.650 1.00 1.79 N ATOM 0 H ASN A 88 2.693 4.627 13.707 1.00 0.49 H new ATOM 0 HA ASN A 88 1.681 2.041 14.446 1.00 0.56 H new ATOM 0 HB2 ASN A 88 3.668 1.976 15.878 1.00 0.65 H new ATOM 0 HB3 ASN A 88 4.095 2.534 14.272 1.00 0.65 H new ATOM 0 HD21 ASN A 88 5.600 4.673 17.087 1.00 1.79 H new ATOM 0 HD22 ASN A 88 5.452 2.924 16.885 1.00 1.79 H new ATOM 1376 N LYS A 89 0.783 4.547 16.177 1.00 0.56 N ATOM 1377 CA LYS A 89 0.015 4.993 17.334 1.00 0.63 C ATOM 1378 C LYS A 89 -1.285 4.207 17.451 1.00 0.61 C ATOM 1379 O LYS A 89 -1.671 3.782 18.541 1.00 0.77 O ATOM 1380 CB LYS A 89 -0.291 6.489 17.231 1.00 0.72 C ATOM 1381 CG LYS A 89 0.946 7.368 17.143 1.00 1.41 C ATOM 1382 CD LYS A 89 1.786 7.287 18.408 1.00 1.89 C ATOM 1383 CE LYS A 89 3.000 8.197 18.328 1.00 2.63 C ATOM 1384 NZ LYS A 89 3.881 7.845 17.180 1.00 3.20 N ATOM 0 H LYS A 89 0.891 5.250 15.446 1.00 0.56 H new ATOM 0 HA LYS A 89 0.615 4.816 18.227 1.00 0.63 H new ATOM 0 HB2 LYS A 89 -0.911 6.663 16.352 1.00 0.72 H new ATOM 0 HB3 LYS A 89 -0.877 6.790 18.099 1.00 0.72 H new ATOM 0 HG2 LYS A 89 1.548 7.064 16.287 1.00 1.41 H new ATOM 0 HG3 LYS A 89 0.646 8.402 16.971 1.00 1.41 H new ATOM 0 HD2 LYS A 89 1.178 7.565 19.269 1.00 1.89 H new ATOM 0 HD3 LYS A 89 2.110 6.258 18.566 1.00 1.89 H new ATOM 0 HE2 LYS A 89 2.672 9.232 18.231 1.00 2.63 H new ATOM 0 HE3 LYS A 89 3.568 8.128 19.256 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 4.874 7.856 17.489 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 3.636 6.896 16.833 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 3.749 8.538 16.416 1.00 3.20 H new ATOM 1398 N GLU A 90 -1.956 4.015 16.319 1.00 0.52 N ATOM 1399 CA GLU A 90 -3.216 3.282 16.289 1.00 0.55 C ATOM 1400 C GLU A 90 -3.130 2.085 15.348 1.00 0.41 C ATOM 1401 O GLU A 90 -4.123 1.398 15.109 1.00 0.42 O ATOM 1402 CB GLU A 90 -4.355 4.205 15.853 1.00 0.72 C ATOM 1403 CG GLU A 90 -4.516 5.431 16.737 1.00 0.91 C ATOM 1404 CD GLU A 90 -5.597 6.370 16.237 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -6.768 6.193 16.634 1.00 1.04 O ATOM 1406 OE2 GLU A 90 -5.271 7.282 15.448 1.00 1.61 O ATOM 0 H GLU A 90 -1.647 4.358 15.409 1.00 0.52 H new ATOM 0 HA GLU A 90 -3.417 2.915 17.296 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -4.178 4.528 14.827 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -5.288 3.642 15.853 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -4.756 5.114 17.752 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -3.568 5.967 16.786 1.00 0.91 H new ATOM 1413 N HIS A 91 -1.933 1.846 14.816 1.00 0.33 N ATOM 1414 CA HIS A 91 -1.704 0.735 13.898 1.00 0.29 C ATOM 1415 C HIS A 91 -2.661 0.797 12.712 1.00 0.29 C ATOM 1416 O HIS A 91 -3.119 -0.235 12.219 1.00 0.34 O ATOM 1417 CB HIS A 91 -1.859 -0.602 14.630 1.00 0.38 C ATOM 1418 CG HIS A 91 -0.867 -0.800 15.733 1.00 0.49 C ATOM 1419 ND1 HIS A 91 -1.234 -1.047 17.040 1.00 1.11 N ATOM 1420 CD2 HIS A 91 0.487 -0.794 15.720 1.00 1.24 C ATOM 1421 CE1 HIS A 91 -0.149 -1.185 17.782 1.00 0.91 C ATOM 1422 NE2 HIS A 91 0.906 -1.036 17.004 1.00 0.95 N ATOM 0 H HIS A 91 -1.105 2.410 15.007 1.00 0.33 H new ATOM 0 HA HIS A 91 -0.685 0.816 13.519 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -2.866 -0.666 15.042 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -1.757 -1.414 13.911 1.00 0.38 H new ATOM 0 HD2 HIS A 91 1.119 -0.629 14.860 1.00 1.24 H new ATOM 0 HE1 HIS A 91 -0.129 -1.385 18.843 1.00 0.91 H new ATOM 0 HE2 HIS A 91 1.878 -1.092 17.308 1.00 0.95 H new ATOM 1431 N SER A 92 -2.956 2.011 12.255 1.00 0.34 N ATOM 1432 CA SER A 92 -3.861 2.203 11.127 1.00 0.44 C ATOM 1433 C SER A 92 -3.222 3.085 10.058 1.00 0.35 C ATOM 1434 O SER A 92 -2.254 3.800 10.324 1.00 0.30 O ATOM 1435 CB SER A 92 -5.176 2.827 11.601 1.00 0.61 C ATOM 1436 OG SER A 92 -4.952 4.086 12.216 1.00 1.33 O ATOM 0 H SER A 92 -2.582 2.875 12.648 1.00 0.34 H new ATOM 0 HA SER A 92 -4.067 1.226 10.690 1.00 0.44 H new ATOM 0 HB2 SER A 92 -5.851 2.948 10.754 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.667 2.156 12.306 1.00 0.61 H new ATOM 0 HG SER A 92 -5.808 4.464 12.508 1.00 1.33 H new ATOM 1442 N VAL A 93 -3.770 3.024 8.849 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.263 3.814 7.732 1.00 0.33 C ATOM 1444 C VAL A 93 -4.183 4.995 7.437 1.00 0.29 C ATOM 1445 O VAL A 93 -5.380 4.816 7.209 1.00 0.31 O ATOM 1446 CB VAL A 93 -3.121 2.958 6.458 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -2.500 3.770 5.332 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -2.299 1.710 6.740 1.00 1.20 C ATOM 0 H VAL A 93 -4.568 2.433 8.617 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.280 4.184 8.023 1.00 0.33 H new ATOM 0 HB VAL A 93 -4.117 2.646 6.142 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -2.409 3.147 4.442 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -3.134 4.629 5.110 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -1.512 4.117 5.635 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -2.210 1.119 5.828 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -1.306 1.999 7.084 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -2.791 1.117 7.511 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.617 6.198 7.444 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.388 7.409 7.179 1.00 0.31 C ATOM 1460 C GLU A 94 -3.754 8.223 6.054 1.00 0.27 C ATOM 1461 O GLU A 94 -2.540 8.181 5.852 1.00 0.29 O ATOM 1462 CB GLU A 94 -4.484 8.267 8.442 1.00 0.39 C ATOM 1463 CG GLU A 94 -5.163 7.567 9.608 1.00 0.67 C ATOM 1464 CD GLU A 94 -5.266 8.450 10.836 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -6.279 9.169 10.967 1.00 1.54 O ATOM 1466 OE2 GLU A 94 -4.335 8.420 11.668 1.00 2.41 O ATOM 0 H GLU A 94 -2.627 6.361 7.630 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.390 7.108 6.872 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -3.480 8.566 8.744 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -5.032 9.180 8.209 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -6.162 7.252 9.306 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -4.606 6.664 9.859 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.585 8.963 5.325 1.00 0.31 N ATOM 1474 CA LEU A 95 -4.105 9.792 4.225 1.00 0.32 C ATOM 1475 C LEU A 95 -3.677 11.163 4.732 1.00 0.29 C ATOM 1476 O LEU A 95 -4.410 11.816 5.476 1.00 0.37 O ATOM 1477 CB LEU A 95 -5.190 9.955 3.157 1.00 0.44 C ATOM 1478 CG LEU A 95 -5.509 8.697 2.348 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -6.349 7.730 3.168 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.225 9.063 1.057 1.00 0.62 C ATOM 0 H LEU A 95 -5.593 9.005 5.476 1.00 0.31 H new ATOM 0 HA LEU A 95 -3.243 9.293 3.782 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -6.105 10.296 3.642 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -4.882 10.741 2.468 1.00 0.44 H new ATOM 0 HG LEU A 95 -4.570 8.204 2.095 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -6.565 6.842 2.574 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -5.801 7.442 4.065 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -7.284 8.212 3.453 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -6.445 8.156 0.493 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -7.156 9.579 1.291 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -5.588 9.716 0.460 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.487 11.598 4.329 1.00 0.25 N ATOM 1493 CA HIS A 96 -1.969 12.895 4.747 1.00 0.30 C ATOM 1494 C HIS A 96 -1.299 13.624 3.586 1.00 0.25 C ATOM 1495 O HIS A 96 -0.758 12.997 2.677 1.00 0.22 O ATOM 1496 CB HIS A 96 -0.979 12.726 5.903 1.00 0.39 C ATOM 1497 CG HIS A 96 -1.601 12.179 7.150 1.00 0.73 C ATOM 1498 ND1 HIS A 96 -2.091 12.981 8.159 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -1.813 10.902 7.550 1.00 1.11 C ATOM 1500 CE1 HIS A 96 -2.578 12.221 9.124 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -2.422 10.957 8.780 1.00 1.57 N ATOM 0 H HIS A 96 -1.865 11.072 3.715 1.00 0.25 H new ATOM 0 HA HIS A 96 -2.812 13.498 5.085 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -0.174 12.062 5.587 1.00 0.39 H new ATOM 0 HB3 HIS A 96 -0.526 13.692 6.127 1.00 0.39 H new ATOM 0 HD1 HIS A 96 -2.079 14.001 8.160 1.00 1.24 H new ATOM 0 HD2 HIS A 96 -1.552 10.008 7.004 1.00 1.11 H new ATOM 0 HE1 HIS A 96 -3.028 12.575 10.040 1.00 1.64 H new ATOM 1510 N LYS A 97 -1.347 14.954 3.626 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.746 15.776 2.581 1.00 0.32 C ATOM 1512 C LYS A 97 0.539 16.432 3.077 1.00 0.34 C ATOM 1513 O LYS A 97 0.503 17.473 3.733 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.732 16.853 2.119 1.00 0.39 C ATOM 1515 CG LYS A 97 -1.182 17.754 1.024 1.00 0.42 C ATOM 1516 CD LYS A 97 -2.124 18.910 0.718 1.00 0.53 C ATOM 1517 CE LYS A 97 -1.939 20.061 1.696 1.00 1.29 C ATOM 1518 NZ LYS A 97 -2.303 19.679 3.089 1.00 2.10 N ATOM 0 H LYS A 97 -1.797 15.485 4.372 1.00 0.32 H new ATOM 0 HA LYS A 97 -0.503 15.128 1.739 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.641 16.371 1.759 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -2.014 17.466 2.975 1.00 0.39 H new ATOM 0 HG2 LYS A 97 -0.212 18.146 1.329 1.00 0.42 H new ATOM 0 HG3 LYS A 97 -1.019 17.169 0.119 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -1.948 19.264 -0.298 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -3.155 18.560 0.759 1.00 0.53 H new ATOM 0 HE2 LYS A 97 -0.901 20.393 1.671 1.00 1.29 H new ATOM 0 HE3 LYS A 97 -2.552 20.906 1.381 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 -2.524 20.535 3.637 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -3.135 19.055 3.072 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -1.505 19.181 3.532 1.00 2.10 H new ATOM 1532 N CYS A 98 1.674 15.814 2.760 1.00 0.37 N ATOM 1533 CA CYS A 98 2.971 16.341 3.171 1.00 0.43 C ATOM 1534 C CYS A 98 3.733 16.894 1.971 1.00 0.40 C ATOM 1535 O CYS A 98 3.248 16.847 0.841 1.00 0.37 O ATOM 1536 CB CYS A 98 3.796 15.254 3.861 1.00 0.49 C ATOM 1537 SG CYS A 98 3.027 14.575 5.351 1.00 1.10 S ATOM 0 H CYS A 98 1.721 14.949 2.221 1.00 0.37 H new ATOM 0 HA CYS A 98 2.799 17.153 3.877 1.00 0.43 H new ATOM 0 HB2 CYS A 98 3.972 14.443 3.154 1.00 0.49 H new ATOM 0 HB3 CYS A 98 4.771 15.665 4.124 1.00 0.49 H new ATOM 0 HG CYS A 98 3.800 13.662 5.861 1.00 1.10 H new ATOM 1543 N GLU A 99 4.929 17.416 2.224 1.00 0.46 N ATOM 1544 CA GLU A 99 5.757 17.980 1.164 1.00 0.47 C ATOM 1545 C GLU A 99 6.126 16.919 0.132 1.00 0.42 C ATOM 1546 O GLU A 99 5.799 15.742 0.295 1.00 0.38 O ATOM 1547 CB GLU A 99 7.026 18.599 1.752 1.00 0.53 C ATOM 1548 CG GLU A 99 6.752 19.706 2.756 1.00 1.09 C ATOM 1549 CD GLU A 99 8.020 20.269 3.366 1.00 1.85 C ATOM 1550 OE1 GLU A 99 8.619 21.179 2.755 1.00 2.07 O ATOM 1551 OE2 GLU A 99 8.415 19.801 4.455 1.00 2.55 O ATOM 0 H GLU A 99 5.346 17.460 3.154 1.00 0.46 H new ATOM 0 HA GLU A 99 5.179 18.758 0.665 1.00 0.47 H new ATOM 0 HB2 GLU A 99 7.611 17.817 2.236 1.00 0.53 H new ATOM 0 HB3 GLU A 99 7.636 18.998 0.941 1.00 0.53 H new ATOM 0 HG2 GLU A 99 6.203 20.509 2.265 1.00 1.09 H new ATOM 0 HG3 GLU A 99 6.112 19.321 3.550 1.00 1.09 H new ATOM 1558 N LYS A 100 6.801 17.341 -0.933 1.00 0.45 N ATOM 1559 CA LYS A 100 7.213 16.423 -1.990 1.00 0.46 C ATOM 1560 C LYS A 100 8.044 15.262 -1.433 1.00 0.45 C ATOM 1561 O LYS A 100 7.743 14.102 -1.719 1.00 0.45 O ATOM 1562 CB LYS A 100 7.997 17.166 -3.077 1.00 0.52 C ATOM 1563 CG LYS A 100 8.641 16.249 -4.110 1.00 0.56 C ATOM 1564 CD LYS A 100 7.615 15.342 -4.777 1.00 0.60 C ATOM 1565 CE LYS A 100 8.253 14.472 -5.848 1.00 0.96 C ATOM 1566 NZ LYS A 100 8.961 15.282 -6.876 1.00 1.77 N ATOM 0 H LYS A 100 7.074 18.312 -1.087 1.00 0.45 H new ATOM 0 HA LYS A 100 6.309 16.005 -2.433 1.00 0.46 H new ATOM 0 HB2 LYS A 100 7.326 17.857 -3.587 1.00 0.52 H new ATOM 0 HB3 LYS A 100 8.774 17.767 -2.604 1.00 0.52 H new ATOM 0 HG2 LYS A 100 9.142 16.851 -4.868 1.00 0.56 H new ATOM 0 HG3 LYS A 100 9.407 15.640 -3.629 1.00 0.56 H new ATOM 0 HD2 LYS A 100 7.144 14.709 -4.025 1.00 0.60 H new ATOM 0 HD3 LYS A 100 6.826 15.949 -5.222 1.00 0.60 H new ATOM 0 HE2 LYS A 100 8.957 13.782 -5.383 1.00 0.96 H new ATOM 0 HE3 LYS A 100 7.484 13.867 -6.329 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 9.144 14.695 -7.715 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 8.371 16.095 -7.145 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 9.864 15.623 -6.488 1.00 1.77 H new ATOM 1580 N PRO A 101 9.098 15.543 -0.634 1.00 0.46 N ATOM 1581 CA PRO A 101 9.943 14.491 -0.058 1.00 0.48 C ATOM 1582 C PRO A 101 9.139 13.487 0.761 1.00 0.42 C ATOM 1583 O PRO A 101 8.942 13.666 1.964 1.00 0.45 O ATOM 1584 CB PRO A 101 10.926 15.251 0.845 1.00 0.55 C ATOM 1585 CG PRO A 101 10.326 16.603 1.030 1.00 0.64 C ATOM 1586 CD PRO A 101 9.555 16.884 -0.225 1.00 0.48 C ATOM 0 HA PRO A 101 10.434 13.904 -0.834 1.00 0.48 H new ATOM 0 HB2 PRO A 101 11.054 14.744 1.801 1.00 0.55 H new ATOM 0 HB3 PRO A 101 11.912 15.318 0.385 1.00 0.55 H new ATOM 0 HG2 PRO A 101 9.673 16.625 1.903 1.00 0.64 H new ATOM 0 HG3 PRO A 101 11.099 17.355 1.191 1.00 0.64 H new ATOM 0 HD2 PRO A 101 8.718 17.559 -0.043 1.00 0.48 H new ATOM 0 HD3 PRO A 101 10.179 17.349 -0.988 1.00 0.48 H new ATOM 1594 N LEU A 102 8.675 12.431 0.099 1.00 0.40 N ATOM 1595 CA LEU A 102 7.891 11.396 0.763 1.00 0.36 C ATOM 1596 C LEU A 102 8.700 10.734 1.880 1.00 0.37 C ATOM 1597 O LEU A 102 9.819 10.274 1.649 1.00 0.45 O ATOM 1598 CB LEU A 102 7.446 10.337 -0.250 1.00 0.38 C ATOM 1599 CG LEU A 102 6.572 10.860 -1.395 1.00 0.41 C ATOM 1600 CD1 LEU A 102 6.354 9.774 -2.438 1.00 0.50 C ATOM 1601 CD2 LEU A 102 5.238 11.358 -0.863 1.00 0.45 C ATOM 0 H LEU A 102 8.829 12.270 -0.896 1.00 0.40 H new ATOM 0 HA LEU A 102 7.011 11.866 1.202 1.00 0.36 H new ATOM 0 HB2 LEU A 102 8.333 9.868 -0.676 1.00 0.38 H new ATOM 0 HB3 LEU A 102 6.897 9.558 0.279 1.00 0.38 H new ATOM 0 HG LEU A 102 7.089 11.695 -1.868 1.00 0.41 H new ATOM 0 HD11 LEU A 102 5.731 10.163 -3.244 1.00 0.50 H new ATOM 0 HD12 LEU A 102 7.316 9.460 -2.843 1.00 0.50 H new ATOM 0 HD13 LEU A 102 5.858 8.920 -1.976 1.00 0.50 H new ATOM 0 HD21 LEU A 102 4.631 11.726 -1.690 1.00 0.45 H new ATOM 0 HD22 LEU A 102 4.717 10.540 -0.365 1.00 0.45 H new ATOM 0 HD23 LEU A 102 5.409 12.166 -0.151 1.00 0.45 H new ATOM 1613 N PRO A 103 8.148 10.677 3.109 1.00 0.37 N ATOM 1614 CA PRO A 103 8.835 10.068 4.253 1.00 0.40 C ATOM 1615 C PRO A 103 8.920 8.551 4.132 1.00 0.35 C ATOM 1616 O PRO A 103 8.314 7.954 3.242 1.00 0.30 O ATOM 1617 CB PRO A 103 7.962 10.461 5.446 1.00 0.47 C ATOM 1618 CG PRO A 103 6.603 10.664 4.869 1.00 0.46 C ATOM 1619 CD PRO A 103 6.818 11.200 3.481 1.00 0.42 C ATOM 0 HA PRO A 103 9.867 10.407 4.336 1.00 0.40 H new ATOM 0 HB2 PRO A 103 7.957 9.681 6.207 1.00 0.47 H new ATOM 0 HB3 PRO A 103 8.329 11.369 5.923 1.00 0.47 H new ATOM 0 HG2 PRO A 103 6.046 9.727 4.844 1.00 0.46 H new ATOM 0 HG3 PRO A 103 6.024 11.363 5.472 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.045 10.855 2.794 1.00 0.42 H new ATOM 0 HD3 PRO A 103 6.797 12.290 3.464 1.00 0.42 H new ATOM 1627 N ASP A 104 9.677 7.931 5.032 1.00 0.40 N ATOM 1628 CA ASP A 104 9.844 6.482 5.024 1.00 0.41 C ATOM 1629 C ASP A 104 8.511 5.777 5.250 1.00 0.41 C ATOM 1630 O ASP A 104 8.329 4.628 4.847 1.00 0.54 O ATOM 1631 CB ASP A 104 10.849 6.059 6.096 1.00 0.52 C ATOM 1632 CG ASP A 104 12.228 6.642 5.858 1.00 1.05 C ATOM 1633 OD1 ASP A 104 13.016 6.019 5.115 1.00 1.57 O ATOM 1634 OD2 ASP A 104 12.520 7.723 6.413 1.00 1.45 O ATOM 0 H ASP A 104 10.185 8.410 5.776 1.00 0.40 H new ATOM 0 HA ASP A 104 10.224 6.191 4.045 1.00 0.41 H new ATOM 0 HB2 ASP A 104 10.487 6.376 7.074 1.00 0.52 H new ATOM 0 HB3 ASP A 104 10.916 4.971 6.118 1.00 0.52 H new ATOM 1639 N GLN A 105 7.580 6.473 5.897 1.00 0.36 N ATOM 1640 CA GLN A 105 6.262 5.915 6.177 1.00 0.39 C ATOM 1641 C GLN A 105 5.362 5.992 4.948 1.00 0.34 C ATOM 1642 O GLN A 105 4.174 5.674 5.016 1.00 0.42 O ATOM 1643 CB GLN A 105 5.613 6.651 7.350 1.00 0.48 C ATOM 1644 CG GLN A 105 6.311 6.408 8.680 1.00 0.67 C ATOM 1645 CD GLN A 105 5.717 7.226 9.811 1.00 0.83 C ATOM 1646 OE1 GLN A 105 4.782 6.790 10.483 1.00 1.41 O ATOM 1647 NE2 GLN A 105 6.262 8.415 10.033 1.00 1.65 N ATOM 0 H GLN A 105 7.715 7.425 6.237 1.00 0.36 H new ATOM 0 HA GLN A 105 6.389 4.865 6.442 1.00 0.39 H new ATOM 0 HB2 GLN A 105 5.610 7.721 7.140 1.00 0.48 H new ATOM 0 HB3 GLN A 105 4.572 6.339 7.433 1.00 0.48 H new ATOM 0 HG2 GLN A 105 6.248 5.349 8.931 1.00 0.67 H new ATOM 0 HG3 GLN A 105 7.369 6.649 8.580 1.00 0.67 H new ATOM 0 HE21 GLN A 105 7.036 8.738 9.452 1.00 1.65 H new ATOM 0 HE22 GLN A 105 5.907 9.006 10.785 1.00 1.65 H new ATOM 1656 N ALA A 106 5.933 6.419 3.824 1.00 0.31 N ATOM 1657 CA ALA A 106 5.180 6.539 2.581 1.00 0.30 C ATOM 1658 C ALA A 106 5.507 5.399 1.621 1.00 0.31 C ATOM 1659 O ALA A 106 4.654 4.958 0.851 1.00 0.62 O ATOM 1660 CB ALA A 106 5.462 7.880 1.920 1.00 0.31 C ATOM 0 H ALA A 106 6.914 6.687 3.750 1.00 0.31 H new ATOM 0 HA ALA A 106 4.119 6.479 2.826 1.00 0.30 H new ATOM 0 HB1 ALA A 106 4.893 7.956 0.993 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.169 8.686 2.593 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.527 7.960 1.700 1.00 0.31 H new ATOM 1666 N PHE A 107 6.749 4.926 1.672 1.00 0.21 N ATOM 1667 CA PHE A 107 7.189 3.839 0.804 1.00 0.19 C ATOM 1668 C PHE A 107 6.878 2.483 1.429 1.00 0.18 C ATOM 1669 O PHE A 107 7.337 2.175 2.530 1.00 0.24 O ATOM 1670 CB PHE A 107 8.689 3.957 0.528 1.00 0.23 C ATOM 1671 CG PHE A 107 9.091 5.281 -0.061 1.00 0.19 C ATOM 1672 CD1 PHE A 107 8.861 5.558 -1.398 1.00 0.22 C ATOM 1673 CD2 PHE A 107 9.699 6.245 0.726 1.00 0.26 C ATOM 1674 CE1 PHE A 107 9.229 6.776 -1.941 1.00 0.22 C ATOM 1675 CE2 PHE A 107 10.070 7.464 0.189 1.00 0.27 C ATOM 1676 CZ PHE A 107 9.835 7.730 -1.146 1.00 0.21 C ATOM 0 H PHE A 107 7.468 5.278 2.305 1.00 0.21 H new ATOM 0 HA PHE A 107 6.646 3.915 -0.138 1.00 0.19 H new ATOM 0 HB2 PHE A 107 9.234 3.803 1.459 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.988 3.160 -0.153 1.00 0.23 H new ATOM 0 HD1 PHE A 107 8.389 4.815 -2.024 1.00 0.22 H new ATOM 0 HD2 PHE A 107 9.885 6.042 1.770 1.00 0.26 H new ATOM 0 HE1 PHE A 107 9.043 6.981 -2.985 1.00 0.22 H new ATOM 0 HE2 PHE A 107 10.543 8.208 0.813 1.00 0.27 H new ATOM 0 HZ PHE A 107 10.124 8.681 -1.567 1.00 0.21 H new ATOM 1686 N PHE A 108 6.093 1.676 0.720 1.00 0.16 N ATOM 1687 CA PHE A 108 5.719 0.351 1.203 1.00 0.17 C ATOM 1688 C PHE A 108 6.337 -0.737 0.331 1.00 0.18 C ATOM 1689 O PHE A 108 6.129 -0.765 -0.879 1.00 0.27 O ATOM 1690 CB PHE A 108 4.196 0.206 1.220 1.00 0.17 C ATOM 1691 CG PHE A 108 3.512 1.182 2.136 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.400 0.917 3.490 1.00 0.26 C ATOM 1693 CD2 PHE A 108 2.980 2.361 1.640 1.00 0.27 C ATOM 1694 CE1 PHE A 108 2.771 1.811 4.335 1.00 0.30 C ATOM 1695 CE2 PHE A 108 2.350 3.259 2.480 1.00 0.32 C ATOM 1696 CZ PHE A 108 2.252 2.989 3.829 1.00 0.32 C ATOM 0 H PHE A 108 5.704 1.917 -0.191 1.00 0.16 H new ATOM 0 HA PHE A 108 6.099 0.237 2.218 1.00 0.17 H new ATOM 0 HB2 PHE A 108 3.815 0.341 0.208 1.00 0.17 H new ATOM 0 HB3 PHE A 108 3.939 -0.808 1.525 1.00 0.17 H new ATOM 0 HD1 PHE A 108 3.809 0.001 3.890 1.00 0.26 H new ATOM 0 HD2 PHE A 108 3.059 2.581 0.585 1.00 0.27 H new ATOM 0 HE1 PHE A 108 2.685 1.590 5.389 1.00 0.30 H new ATOM 0 HE2 PHE A 108 1.934 4.172 2.080 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.771 3.696 4.489 1.00 0.32 H new ATOM 1706 N VAL A 109 7.095 -1.633 0.952 1.00 0.17 N ATOM 1707 CA VAL A 109 7.741 -2.718 0.223 1.00 0.18 C ATOM 1708 C VAL A 109 6.716 -3.741 -0.256 1.00 0.20 C ATOM 1709 O VAL A 109 6.039 -4.378 0.551 1.00 0.22 O ATOM 1710 CB VAL A 109 8.802 -3.422 1.088 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.519 -4.502 0.296 1.00 0.23 C ATOM 1712 CG2 VAL A 109 9.800 -2.413 1.629 1.00 0.21 C ATOM 0 H VAL A 109 7.277 -1.630 1.956 1.00 0.17 H new ATOM 0 HA VAL A 109 8.234 -2.274 -0.642 1.00 0.18 H new ATOM 0 HB VAL A 109 8.294 -3.896 1.928 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.263 -4.984 0.930 1.00 0.23 H new ATOM 0 HG12 VAL A 109 8.797 -5.244 -0.044 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.012 -4.054 -0.567 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.543 -2.927 2.238 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.296 -1.911 0.799 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.278 -1.676 2.239 1.00 0.21 H new ATOM 1722 N LEU A 110 6.608 -3.893 -1.572 1.00 0.24 N ATOM 1723 CA LEU A 110 5.660 -4.834 -2.161 1.00 0.27 C ATOM 1724 C LEU A 110 6.179 -6.268 -2.074 1.00 0.25 C ATOM 1725 O LEU A 110 7.357 -6.530 -2.316 1.00 0.30 O ATOM 1726 CB LEU A 110 5.393 -4.470 -3.624 1.00 0.35 C ATOM 1727 CG LEU A 110 4.380 -5.363 -4.344 1.00 0.48 C ATOM 1728 CD1 LEU A 110 2.980 -5.136 -3.796 1.00 0.89 C ATOM 1729 CD2 LEU A 110 4.415 -5.107 -5.843 1.00 1.01 C ATOM 0 H LEU A 110 7.166 -3.376 -2.252 1.00 0.24 H new ATOM 0 HA LEU A 110 4.730 -4.770 -1.596 1.00 0.27 H new ATOM 0 HB2 LEU A 110 5.040 -3.440 -3.667 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.337 -4.506 -4.169 1.00 0.35 H new ATOM 0 HG LEU A 110 4.652 -6.403 -4.166 1.00 0.48 H new ATOM 0 HD11 LEU A 110 2.275 -5.780 -4.321 1.00 0.89 H new ATOM 0 HD12 LEU A 110 2.963 -5.371 -2.732 1.00 0.89 H new ATOM 0 HD13 LEU A 110 2.697 -4.094 -3.942 1.00 0.89 H new ATOM 0 HD21 LEU A 110 3.688 -5.751 -6.339 1.00 1.01 H new ATOM 0 HD22 LEU A 110 4.169 -4.063 -6.040 1.00 1.01 H new ATOM 0 HD23 LEU A 110 5.412 -5.323 -6.226 1.00 1.01 H new ATOM 1741 N HIS A 111 5.286 -7.191 -1.725 1.00 0.24 N ATOM 1742 CA HIS A 111 5.643 -8.600 -1.613 1.00 0.26 C ATOM 1743 C HIS A 111 4.656 -9.471 -2.385 1.00 0.25 C ATOM 1744 O HIS A 111 3.442 -9.318 -2.251 1.00 0.26 O ATOM 1745 CB HIS A 111 5.677 -9.032 -0.145 1.00 0.27 C ATOM 1746 CG HIS A 111 6.885 -8.551 0.596 1.00 0.32 C ATOM 1747 ND1 HIS A 111 7.959 -9.364 0.896 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.190 -7.332 1.099 1.00 0.26 C ATOM 1749 CE1 HIS A 111 8.868 -8.666 1.552 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.425 -7.430 1.688 1.00 0.36 N ATOM 0 H HIS A 111 4.309 -6.987 -1.515 1.00 0.24 H new ATOM 0 HA HIS A 111 6.636 -8.730 -2.043 1.00 0.26 H new ATOM 0 HB2 HIS A 111 4.783 -8.660 0.355 1.00 0.27 H new ATOM 0 HB3 HIS A 111 5.640 -10.120 -0.095 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.575 -6.446 1.046 1.00 0.26 H new ATOM 0 HE1 HIS A 111 9.813 -9.042 1.915 1.00 0.55 H new ATOM 0 HE2 HIS A 111 8.921 -6.671 2.155 1.00 0.36 H new ATOM 1759 N ASN A 112 5.187 -10.383 -3.194 1.00 0.29 N ATOM 1760 CA ASN A 112 4.353 -11.279 -3.987 1.00 0.30 C ATOM 1761 C ASN A 112 3.915 -12.483 -3.160 1.00 0.29 C ATOM 1762 O ASN A 112 4.727 -13.114 -2.484 1.00 0.44 O ATOM 1763 CB ASN A 112 5.109 -11.746 -5.232 1.00 0.46 C ATOM 1764 CG ASN A 112 6.375 -12.506 -4.890 1.00 1.42 C ATOM 1765 OD1 ASN A 112 7.451 -11.920 -4.761 1.00 2.14 O ATOM 1766 ND2 ASN A 112 6.255 -13.820 -4.744 1.00 2.13 N ATOM 0 H ASN A 112 6.190 -10.521 -3.317 1.00 0.29 H new ATOM 0 HA ASN A 112 3.464 -10.730 -4.298 1.00 0.30 H new ATOM 0 HB2 ASN A 112 4.458 -12.382 -5.832 1.00 0.46 H new ATOM 0 HB3 ASN A 112 5.362 -10.881 -5.845 1.00 0.46 H new ATOM 0 HD21 ASN A 112 7.073 -14.385 -4.516 1.00 2.13 H new ATOM 0 HD22 ASN A 112 5.344 -14.265 -4.860 1.00 2.13 H new ATOM 1773 N MET A 113 2.624 -12.797 -3.218 1.00 0.28 N ATOM 1774 CA MET A 113 2.075 -13.925 -2.473 1.00 0.36 C ATOM 1775 C MET A 113 1.522 -14.989 -3.416 1.00 0.40 C ATOM 1776 O MET A 113 2.095 -16.071 -3.549 1.00 0.46 O ATOM 1777 CB MET A 113 0.977 -13.447 -1.521 1.00 0.43 C ATOM 1778 CG MET A 113 1.436 -12.371 -0.550 1.00 0.47 C ATOM 1779 SD MET A 113 2.829 -12.901 0.465 1.00 0.89 S ATOM 1780 CE MET A 113 2.092 -14.261 1.370 1.00 0.58 C ATOM 0 H MET A 113 1.938 -12.286 -3.774 1.00 0.28 H new ATOM 0 HA MET A 113 2.883 -14.370 -1.892 1.00 0.36 H new ATOM 0 HB2 MET A 113 0.142 -13.063 -2.107 1.00 0.43 H new ATOM 0 HB3 MET A 113 0.603 -14.300 -0.954 1.00 0.43 H new ATOM 0 HG2 MET A 113 1.717 -11.479 -1.109 1.00 0.47 H new ATOM 0 HG3 MET A 113 0.605 -12.093 0.098 1.00 0.47 H new ATOM 0 HE1 MET A 113 2.717 -14.509 2.228 1.00 0.58 H new ATOM 0 HE2 MET A 113 1.099 -13.972 1.716 1.00 0.58 H new ATOM 0 HE3 MET A 113 2.010 -15.130 0.718 1.00 0.58 H new ATOM 1790 N HIS A 114 0.404 -14.675 -4.067 1.00 0.45 N ATOM 1791 CA HIS A 114 -0.228 -15.606 -4.996 1.00 0.51 C ATOM 1792 C HIS A 114 -0.016 -15.165 -6.443 1.00 0.47 C ATOM 1793 O HIS A 114 0.877 -14.372 -6.737 1.00 0.46 O ATOM 1794 CB HIS A 114 -1.725 -15.720 -4.698 1.00 0.54 C ATOM 1795 CG HIS A 114 -2.026 -16.235 -3.325 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -2.542 -17.493 -3.088 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -1.886 -15.654 -2.110 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -2.706 -17.662 -1.787 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -2.316 -16.561 -1.173 1.00 1.75 N ATOM 0 H HIS A 114 -0.082 -13.784 -3.968 1.00 0.45 H new ATOM 0 HA HIS A 114 0.237 -16.583 -4.863 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -2.186 -14.740 -4.818 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -2.184 -16.381 -5.433 1.00 0.54 H new ATOM 0 HD1 HIS A 114 -2.762 -18.184 -3.805 1.00 0.94 H new ATOM 0 HD2 HIS A 114 -1.507 -14.662 -1.914 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -3.093 -18.550 -1.309 1.00 1.40 H new ATOM 1808 N SER A 115 -0.848 -15.691 -7.339 1.00 0.49 N ATOM 1809 CA SER A 115 -0.759 -15.365 -8.758 1.00 0.54 C ATOM 1810 C SER A 115 -0.880 -13.860 -8.993 1.00 0.50 C ATOM 1811 O SER A 115 0.007 -13.243 -9.582 1.00 0.56 O ATOM 1812 CB SER A 115 -1.849 -16.101 -9.537 1.00 0.59 C ATOM 1813 OG SER A 115 -1.776 -15.808 -10.921 1.00 1.50 O ATOM 0 H SER A 115 -1.593 -16.347 -7.105 1.00 0.49 H new ATOM 0 HA SER A 115 0.220 -15.686 -9.113 1.00 0.54 H new ATOM 0 HB2 SER A 115 -1.746 -17.175 -9.384 1.00 0.59 H new ATOM 0 HB3 SER A 115 -2.829 -15.817 -9.154 1.00 0.59 H new ATOM 0 HG SER A 115 -2.483 -16.293 -11.396 1.00 1.50 H new ATOM 1819 N ASN A 116 -1.982 -13.273 -8.529 1.00 0.45 N ATOM 1820 CA ASN A 116 -2.214 -11.843 -8.700 1.00 0.50 C ATOM 1821 C ASN A 116 -2.331 -11.132 -7.354 1.00 0.44 C ATOM 1822 O ASN A 116 -2.436 -9.906 -7.299 1.00 0.66 O ATOM 1823 CB ASN A 116 -3.478 -11.606 -9.529 1.00 0.61 C ATOM 1824 CG ASN A 116 -3.354 -12.149 -10.939 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -2.261 -12.202 -11.502 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -4.479 -12.558 -11.516 1.00 1.68 N ATOM 0 H ASN A 116 -2.725 -13.765 -8.033 1.00 0.45 H new ATOM 0 HA ASN A 116 -1.355 -11.428 -9.228 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -4.327 -12.077 -9.034 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -3.687 -10.537 -9.571 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -4.458 -12.935 -12.464 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -5.363 -12.495 -11.011 1.00 1.68 H new ATOM 1833 N CYS A 117 -2.313 -11.902 -6.271 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.417 -11.334 -4.933 1.00 0.32 C ATOM 1835 C CYS A 117 -1.087 -10.732 -4.494 1.00 0.28 C ATOM 1836 O CYS A 117 -0.028 -11.320 -4.715 1.00 0.34 O ATOM 1837 CB CYS A 117 -2.863 -12.402 -3.932 1.00 0.43 C ATOM 1838 SG CYS A 117 -4.440 -13.186 -4.346 1.00 0.97 S ATOM 0 H CYS A 117 -2.228 -12.918 -6.294 1.00 0.32 H new ATOM 0 HA CYS A 117 -3.164 -10.541 -4.960 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -2.093 -13.170 -3.869 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -2.943 -11.949 -2.944 1.00 0.43 H new ATOM 0 HG CYS A 117 -5.251 -13.090 -3.335 1.00 0.97 H new ATOM 1844 N VAL A 118 -1.148 -9.560 -3.871 1.00 0.25 N ATOM 1845 CA VAL A 118 0.054 -8.878 -3.405 1.00 0.27 C ATOM 1846 C VAL A 118 -0.137 -8.307 -2.004 1.00 0.24 C ATOM 1847 O VAL A 118 -1.265 -8.129 -1.543 1.00 0.28 O ATOM 1848 CB VAL A 118 0.459 -7.739 -4.362 1.00 0.37 C ATOM 1849 CG1 VAL A 118 0.909 -8.301 -5.701 1.00 0.46 C ATOM 1850 CG2 VAL A 118 -0.693 -6.761 -4.547 1.00 0.41 C ATOM 0 H VAL A 118 -2.017 -9.062 -3.677 1.00 0.25 H new ATOM 0 HA VAL A 118 0.848 -9.624 -3.380 1.00 0.27 H new ATOM 0 HB VAL A 118 1.297 -7.199 -3.920 1.00 0.37 H new ATOM 0 HG11 VAL A 118 1.191 -7.482 -6.363 1.00 0.46 H new ATOM 0 HG12 VAL A 118 1.766 -8.957 -5.551 1.00 0.46 H new ATOM 0 HG13 VAL A 118 0.093 -8.867 -6.151 1.00 0.46 H new ATOM 0 HG21 VAL A 118 -0.388 -5.964 -5.226 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -1.552 -7.286 -4.966 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -0.965 -6.332 -3.582 1.00 0.41 H new ATOM 1860 N SER A 119 0.977 -8.024 -1.332 1.00 0.24 N ATOM 1861 CA SER A 119 0.941 -7.473 0.019 1.00 0.23 C ATOM 1862 C SER A 119 1.797 -6.213 0.112 1.00 0.21 C ATOM 1863 O SER A 119 2.778 -6.062 -0.617 1.00 0.30 O ATOM 1864 CB SER A 119 1.428 -8.511 1.031 1.00 0.29 C ATOM 1865 OG SER A 119 1.327 -8.020 2.355 1.00 1.09 O ATOM 0 H SER A 119 1.916 -8.168 -1.702 1.00 0.24 H new ATOM 0 HA SER A 119 -0.091 -7.210 0.251 1.00 0.23 H new ATOM 0 HB2 SER A 119 0.839 -9.423 0.932 1.00 0.29 H new ATOM 0 HB3 SER A 119 2.463 -8.775 0.816 1.00 0.29 H new ATOM 0 HG SER A 119 2.091 -8.337 2.881 1.00 1.09 H new ATOM 1871 N PHE A 120 1.422 -5.314 1.019 1.00 0.20 N ATOM 1872 CA PHE A 120 2.150 -4.063 1.205 1.00 0.18 C ATOM 1873 C PHE A 120 2.817 -4.008 2.577 1.00 0.18 C ATOM 1874 O PHE A 120 2.176 -3.693 3.580 1.00 0.27 O ATOM 1875 CB PHE A 120 1.198 -2.876 1.041 1.00 0.21 C ATOM 1876 CG PHE A 120 0.438 -2.896 -0.254 1.00 0.24 C ATOM 1877 CD1 PHE A 120 1.048 -2.507 -1.436 1.00 0.40 C ATOM 1878 CD2 PHE A 120 -0.885 -3.303 -0.288 1.00 0.28 C ATOM 1879 CE1 PHE A 120 0.348 -2.524 -2.628 1.00 0.45 C ATOM 1880 CE2 PHE A 120 -1.588 -3.322 -1.477 1.00 0.32 C ATOM 1881 CZ PHE A 120 -0.963 -2.934 -2.654 1.00 0.35 C ATOM 0 H PHE A 120 0.618 -5.429 1.636 1.00 0.20 H new ATOM 0 HA PHE A 120 2.931 -4.011 0.447 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.490 -2.871 1.869 1.00 0.21 H new ATOM 0 HB3 PHE A 120 1.769 -1.950 1.104 1.00 0.21 H new ATOM 0 HD1 PHE A 120 2.080 -2.188 -1.426 1.00 0.40 H new ATOM 0 HD2 PHE A 120 -1.373 -3.609 0.626 1.00 0.28 H new ATOM 0 HE1 PHE A 120 0.833 -2.214 -3.542 1.00 0.45 H new ATOM 0 HE2 PHE A 120 -2.621 -3.638 -1.491 1.00 0.32 H new ATOM 0 HZ PHE A 120 -1.506 -2.954 -3.588 1.00 0.35 H new ATOM 1891 N GLU A 121 4.112 -4.316 2.614 1.00 0.19 N ATOM 1892 CA GLU A 121 4.871 -4.300 3.860 1.00 0.19 C ATOM 1893 C GLU A 121 5.399 -2.900 4.161 1.00 0.19 C ATOM 1894 O GLU A 121 5.815 -2.175 3.257 1.00 0.19 O ATOM 1895 CB GLU A 121 6.035 -5.290 3.784 1.00 0.23 C ATOM 1896 CG GLU A 121 6.873 -5.339 5.051 1.00 0.29 C ATOM 1897 CD GLU A 121 8.034 -6.308 4.942 1.00 0.33 C ATOM 1898 OE1 GLU A 121 9.114 -5.890 4.476 1.00 0.35 O ATOM 1899 OE2 GLU A 121 7.863 -7.484 5.327 1.00 0.45 O ATOM 0 H GLU A 121 4.657 -4.580 1.793 1.00 0.19 H new ATOM 0 HA GLU A 121 4.201 -4.596 4.667 1.00 0.19 H new ATOM 0 HB2 GLU A 121 5.642 -6.286 3.579 1.00 0.23 H new ATOM 0 HB3 GLU A 121 6.676 -5.021 2.944 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.255 -4.342 5.269 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.240 -5.628 5.890 1.00 0.29 H new ATOM 1906 N CYS A 122 5.381 -2.528 5.438 1.00 0.22 N ATOM 1907 CA CYS A 122 5.859 -1.217 5.861 1.00 0.24 C ATOM 1908 C CYS A 122 7.382 -1.187 5.925 1.00 0.27 C ATOM 1909 O CYS A 122 8.013 -2.131 6.400 1.00 0.26 O ATOM 1910 CB CYS A 122 5.273 -0.854 7.226 1.00 0.27 C ATOM 1911 SG CYS A 122 3.466 -0.772 7.254 1.00 0.31 S ATOM 0 H CYS A 122 5.040 -3.117 6.198 1.00 0.22 H new ATOM 0 HA CYS A 122 5.530 -0.484 5.125 1.00 0.24 H new ATOM 0 HB2 CYS A 122 5.604 -1.589 7.959 1.00 0.27 H new ATOM 0 HB3 CYS A 122 5.675 0.110 7.538 1.00 0.27 H new ATOM 0 HG CYS A 122 3.085 0.095 8.145 1.00 0.31 H new ATOM 1917 N LYS A 123 7.967 -0.092 5.446 1.00 0.34 N ATOM 1918 CA LYS A 123 9.417 0.067 5.444 1.00 0.41 C ATOM 1919 C LYS A 123 9.908 0.564 6.801 1.00 0.43 C ATOM 1920 O LYS A 123 11.101 0.501 7.102 1.00 0.48 O ATOM 1921 CB LYS A 123 9.837 1.045 4.344 1.00 0.48 C ATOM 1922 CG LYS A 123 11.340 1.124 4.131 1.00 0.65 C ATOM 1923 CD LYS A 123 11.696 2.142 3.059 1.00 0.67 C ATOM 1924 CE LYS A 123 13.190 2.168 2.784 1.00 0.69 C ATOM 1925 NZ LYS A 123 13.974 2.523 3.997 1.00 1.39 N ATOM 0 H LYS A 123 7.457 0.699 5.054 1.00 0.34 H new ATOM 0 HA LYS A 123 9.869 -0.905 5.249 1.00 0.41 H new ATOM 0 HB2 LYS A 123 9.362 0.750 3.408 1.00 0.48 H new ATOM 0 HB3 LYS A 123 9.462 2.038 4.592 1.00 0.48 H new ATOM 0 HG2 LYS A 123 11.828 1.394 5.068 1.00 0.65 H new ATOM 0 HG3 LYS A 123 11.720 0.144 3.844 1.00 0.65 H new ATOM 0 HD2 LYS A 123 11.161 1.905 2.140 1.00 0.67 H new ATOM 0 HD3 LYS A 123 11.366 3.132 3.373 1.00 0.67 H new ATOM 0 HE2 LYS A 123 13.509 1.191 2.420 1.00 0.69 H new ATOM 0 HE3 LYS A 123 13.400 2.888 1.993 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 14.965 2.695 3.732 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 13.577 3.382 4.428 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 13.930 1.740 4.680 1.00 1.39 H new ATOM 1939 N THR A 124 8.980 1.053 7.618 1.00 0.43 N ATOM 1940 CA THR A 124 9.315 1.563 8.941 1.00 0.49 C ATOM 1941 C THR A 124 8.988 0.540 10.024 1.00 0.44 C ATOM 1942 O THR A 124 9.623 0.516 11.080 1.00 0.50 O ATOM 1943 CB THR A 124 8.567 2.874 9.246 1.00 0.59 C ATOM 1944 OG1 THR A 124 7.153 2.641 9.269 1.00 1.19 O ATOM 1945 CG2 THR A 124 8.894 3.934 8.205 1.00 0.88 C ATOM 0 H THR A 124 7.988 1.106 7.385 1.00 0.43 H new ATOM 0 HA THR A 124 10.387 1.758 8.941 1.00 0.49 H new ATOM 0 HB THR A 124 8.890 3.232 10.224 1.00 0.59 H new ATOM 0 HG1 THR A 124 6.914 2.161 10.089 1.00 1.19 H new ATOM 0 HG21 THR A 124 8.355 4.852 8.439 1.00 0.88 H new ATOM 0 HG22 THR A 124 9.966 4.131 8.210 1.00 0.88 H new ATOM 0 HG23 THR A 124 8.595 3.580 7.218 1.00 0.88 H new ATOM 1953 N ASP A 125 7.995 -0.300 9.758 1.00 0.39 N ATOM 1954 CA ASP A 125 7.582 -1.327 10.710 1.00 0.42 C ATOM 1955 C ASP A 125 7.770 -2.724 10.118 1.00 0.35 C ATOM 1956 O ASP A 125 6.830 -3.305 9.574 1.00 0.36 O ATOM 1957 CB ASP A 125 6.120 -1.122 11.111 1.00 0.52 C ATOM 1958 CG ASP A 125 5.889 0.207 11.803 1.00 0.64 C ATOM 1959 OD1 ASP A 125 6.080 0.276 13.035 1.00 0.78 O ATOM 1960 OD2 ASP A 125 5.515 1.178 11.113 1.00 0.65 O ATOM 0 H ASP A 125 7.459 -0.291 8.890 1.00 0.39 H new ATOM 0 HA ASP A 125 8.210 -1.240 11.597 1.00 0.42 H new ATOM 0 HB2 ASP A 125 5.491 -1.179 10.222 1.00 0.52 H new ATOM 0 HB3 ASP A 125 5.811 -1.931 11.773 1.00 0.52 H new ATOM 1965 N PRO A 126 8.992 -3.283 10.216 1.00 0.43 N ATOM 1966 CA PRO A 126 9.296 -4.618 9.684 1.00 0.46 C ATOM 1967 C PRO A 126 8.362 -5.691 10.235 1.00 0.45 C ATOM 1968 O PRO A 126 8.171 -5.801 11.446 1.00 0.56 O ATOM 1969 CB PRO A 126 10.731 -4.874 10.153 1.00 0.62 C ATOM 1970 CG PRO A 126 11.309 -3.518 10.365 1.00 0.89 C ATOM 1971 CD PRO A 126 10.172 -2.659 10.844 1.00 0.60 C ATOM 0 HA PRO A 126 9.172 -4.658 8.602 1.00 0.46 H new ATOM 0 HB2 PRO A 126 10.748 -5.460 11.072 1.00 0.62 H new ATOM 0 HB3 PRO A 126 11.297 -5.433 9.408 1.00 0.62 H new ATOM 0 HG2 PRO A 126 12.114 -3.546 11.099 1.00 0.89 H new ATOM 0 HG3 PRO A 126 11.734 -3.125 9.441 1.00 0.89 H new ATOM 0 HD2 PRO A 126 10.097 -2.659 11.931 1.00 0.60 H new ATOM 0 HD3 PRO A 126 10.292 -1.621 10.533 1.00 0.60 H new ATOM 1979 N GLY A 127 7.783 -6.481 9.335 1.00 0.40 N ATOM 1980 CA GLY A 127 6.878 -7.538 9.745 1.00 0.43 C ATOM 1981 C GLY A 127 5.432 -7.085 9.785 1.00 0.44 C ATOM 1982 O GLY A 127 4.567 -7.790 10.306 1.00 0.65 O ATOM 0 H GLY A 127 7.925 -6.407 8.328 1.00 0.40 H new ATOM 0 HA2 GLY A 127 6.972 -8.379 9.058 1.00 0.43 H new ATOM 0 HA3 GLY A 127 7.169 -7.898 10.732 1.00 0.43 H new ATOM 1986 N VAL A 128 5.169 -5.905 9.233 1.00 0.28 N ATOM 1987 CA VAL A 128 3.817 -5.356 9.205 1.00 0.32 C ATOM 1988 C VAL A 128 3.320 -5.201 7.770 1.00 0.21 C ATOM 1989 O VAL A 128 4.036 -4.700 6.905 1.00 0.16 O ATOM 1990 CB VAL A 128 3.756 -3.991 9.915 1.00 0.42 C ATOM 1991 CG1 VAL A 128 2.340 -3.432 9.888 1.00 0.93 C ATOM 1992 CG2 VAL A 128 4.259 -4.113 11.345 1.00 1.27 C ATOM 0 H VAL A 128 5.874 -5.310 8.799 1.00 0.28 H new ATOM 0 HA VAL A 128 3.172 -6.059 9.733 1.00 0.32 H new ATOM 0 HB VAL A 128 4.404 -3.297 9.380 1.00 0.42 H new ATOM 0 HG11 VAL A 128 2.320 -2.467 10.395 1.00 0.93 H new ATOM 0 HG12 VAL A 128 2.018 -3.305 8.854 1.00 0.93 H new ATOM 0 HG13 VAL A 128 1.666 -4.123 10.395 1.00 0.93 H new ATOM 0 HG21 VAL A 128 4.209 -3.139 11.833 1.00 1.27 H new ATOM 0 HG22 VAL A 128 3.638 -4.824 11.890 1.00 1.27 H new ATOM 0 HG23 VAL A 128 5.291 -4.463 11.339 1.00 1.27 H new ATOM 2002 N PHE A 129 2.087 -5.636 7.528 1.00 0.23 N ATOM 2003 CA PHE A 129 1.493 -5.552 6.198 1.00 0.19 C ATOM 2004 C PHE A 129 0.120 -4.891 6.255 1.00 0.16 C ATOM 2005 O PHE A 129 -0.627 -5.070 7.219 1.00 0.18 O ATOM 2006 CB PHE A 129 1.351 -6.948 5.587 1.00 0.29 C ATOM 2007 CG PHE A 129 2.593 -7.791 5.673 1.00 0.26 C ATOM 2008 CD1 PHE A 129 2.903 -8.476 6.837 1.00 0.49 C ATOM 2009 CD2 PHE A 129 3.457 -7.885 4.594 1.00 0.30 C ATOM 2010 CE1 PHE A 129 4.050 -9.243 6.922 1.00 0.58 C ATOM 2011 CE2 PHE A 129 4.606 -8.647 4.674 1.00 0.38 C ATOM 2012 CZ PHE A 129 4.876 -9.368 5.827 1.00 0.46 C ATOM 0 H PHE A 129 1.480 -6.050 8.235 1.00 0.23 H new ATOM 0 HA PHE A 129 2.154 -4.947 5.578 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.536 -7.470 6.089 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.067 -6.846 4.540 1.00 0.29 H new ATOM 0 HD1 PHE A 129 2.241 -8.410 7.688 1.00 0.49 H new ATOM 0 HD2 PHE A 129 3.229 -7.356 3.680 1.00 0.30 H new ATOM 0 HE1 PHE A 129 4.298 -9.744 7.846 1.00 0.58 H new ATOM 0 HE2 PHE A 129 5.292 -8.681 3.841 1.00 0.38 H new ATOM 0 HZ PHE A 129 5.732 -10.026 5.866 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.208 -4.123 5.220 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.501 -3.456 5.149 1.00 0.16 C ATOM 2024 C ILE A 130 -2.585 -4.476 4.820 1.00 0.18 C ATOM 2025 O ILE A 130 -2.445 -5.251 3.875 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.515 -2.344 4.080 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.361 -1.365 4.307 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.849 -1.610 4.100 1.00 0.25 C ATOM 2029 CD1 ILE A 130 -0.228 -0.318 3.219 1.00 0.25 C ATOM 0 H ILE A 130 0.403 -3.948 4.422 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.690 -2.998 6.120 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.386 -2.804 3.100 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.503 -0.865 5.265 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.571 -1.926 4.376 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -2.845 -0.828 3.341 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.655 -2.314 3.892 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -3.003 -1.162 5.082 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.610 0.340 3.448 1.00 0.25 H new ATOM 0 HD12 ILE A 130 -0.054 -0.809 2.261 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -1.145 0.269 3.165 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.662 -4.479 5.601 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.733 -5.427 5.359 1.00 0.20 C ATOM 2043 C GLY A 131 -6.062 -4.981 5.931 1.00 0.16 C ATOM 2044 O GLY A 131 -6.113 -4.107 6.796 1.00 0.19 O ATOM 0 H GLY A 131 -3.811 -3.849 6.389 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -4.839 -5.579 4.285 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.463 -6.390 5.792 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.137 -5.589 5.446 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.480 -5.263 5.909 1.00 0.16 C ATOM 2050 C VAL A 132 -8.750 -5.888 7.271 1.00 0.17 C ATOM 2051 O VAL A 132 -8.939 -7.100 7.385 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.545 -5.746 4.907 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -10.941 -5.399 5.397 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.292 -5.149 3.532 1.00 0.22 C ATOM 0 H VAL A 132 -7.105 -6.314 4.729 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.540 -4.178 5.994 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.475 -6.831 4.827 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.678 -5.749 4.674 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -11.119 -5.880 6.359 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -11.029 -4.318 5.510 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -10.054 -5.501 2.837 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.332 -4.062 3.594 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.308 -5.456 3.178 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.768 -5.053 8.305 1.00 0.17 N ATOM 2065 CA LYS A 133 -9.013 -5.517 9.663 1.00 0.21 C ATOM 2066 C LYS A 133 -10.446 -6.027 9.812 1.00 0.22 C ATOM 2067 O LYS A 133 -10.727 -7.194 9.543 1.00 0.24 O ATOM 2068 CB LYS A 133 -8.741 -4.390 10.663 1.00 0.29 C ATOM 2069 CG LYS A 133 -8.620 -4.862 12.101 1.00 0.35 C ATOM 2070 CD LYS A 133 -8.531 -3.689 13.065 1.00 1.17 C ATOM 2071 CE LYS A 133 -8.465 -4.154 14.505 1.00 1.20 C ATOM 2072 NZ LYS A 133 -9.604 -5.047 14.858 1.00 2.26 N ATOM 0 H LYS A 133 -8.615 -4.048 8.226 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.334 -6.344 9.872 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -7.821 -3.880 10.379 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -9.545 -3.657 10.598 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -9.481 -5.480 12.356 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -7.735 -5.489 12.206 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -7.648 -3.093 12.834 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -9.397 -3.041 12.931 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -7.526 -4.681 14.673 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -8.466 -3.287 15.166 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -9.807 -4.965 15.875 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -10.445 -4.769 14.313 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -9.356 -6.032 14.633 1.00 2.26 H new ATOM 2086 N ASP A 134 -11.349 -5.149 10.243 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.750 -5.515 10.413 1.00 0.31 C ATOM 2088 C ASP A 134 -13.521 -5.281 9.117 1.00 0.28 C ATOM 2089 O ASP A 134 -14.306 -6.125 8.683 1.00 0.30 O ATOM 2090 CB ASP A 134 -13.382 -4.707 11.549 1.00 0.39 C ATOM 2091 CG ASP A 134 -12.626 -4.859 12.857 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -12.837 -5.877 13.548 1.00 1.76 O ATOM 2093 OD2 ASP A 134 -11.826 -3.958 13.188 1.00 2.23 O ATOM 0 H ASP A 134 -11.134 -4.180 10.480 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.799 -6.574 10.667 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -13.411 -3.654 11.270 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -14.414 -5.028 11.689 1.00 0.39 H new ATOM 2098 N ASN A 135 -13.284 -4.124 8.508 1.00 0.27 N ATOM 2099 CA ASN A 135 -13.942 -3.758 7.258 1.00 0.27 C ATOM 2100 C ASN A 135 -13.215 -2.590 6.599 1.00 0.23 C ATOM 2101 O ASN A 135 -13.699 -2.011 5.627 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.407 -3.389 7.512 1.00 0.35 C ATOM 2103 CG ASN A 135 -15.565 -2.075 8.254 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -14.611 -1.760 9.124 1.00 2.08 O flip ATOM 2105 ND2 ASN A 135 -16.539 -1.349 8.051 1.00 1.98 N flip ATOM 0 H ASN A 135 -12.637 -3.419 8.862 1.00 0.27 H new ATOM 0 HA ASN A 135 -13.909 -4.617 6.587 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -15.931 -3.327 6.558 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -15.882 -4.184 8.086 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -17.250 -1.627 7.374 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -16.635 -0.470 8.559 1.00 1.98 H new ATOM 2112 N HIS A 136 -12.048 -2.252 7.140 1.00 0.19 N ATOM 2113 CA HIS A 136 -11.244 -1.155 6.616 1.00 0.21 C ATOM 2114 C HIS A 136 -9.763 -1.518 6.634 1.00 0.19 C ATOM 2115 O HIS A 136 -9.383 -2.577 7.130 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.482 0.114 7.436 1.00 0.28 C ATOM 2117 CG HIS A 136 -11.274 -0.071 8.909 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -12.306 -0.045 9.823 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -10.144 -0.282 9.626 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -11.820 -0.229 11.039 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -10.512 -0.376 10.946 1.00 0.49 N ATOM 0 H HIS A 136 -11.638 -2.725 7.945 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.544 -0.972 5.584 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.813 0.897 7.079 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.500 0.462 7.263 1.00 0.28 H new ATOM 0 HD1 HIS A 136 -13.291 0.094 9.597 1.00 1.34 H new ATOM 0 HD2 HIS A 136 -9.141 -0.361 9.233 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -12.396 -0.255 11.953 1.00 1.15 H new ATOM 2130 N LEU A 137 -8.930 -0.630 6.100 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.492 -0.868 6.055 1.00 0.22 C ATOM 2132 C LEU A 137 -6.854 -0.638 7.418 1.00 0.25 C ATOM 2133 O LEU A 137 -7.224 0.282 8.147 1.00 0.38 O ATOM 2134 CB LEU A 137 -6.832 0.032 5.008 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.094 -0.368 3.557 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.475 0.642 2.604 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.549 -1.763 3.284 1.00 0.27 C ATOM 0 H LEU A 137 -9.225 0.258 5.694 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.335 -1.910 5.776 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -7.182 1.054 5.156 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.756 0.035 5.180 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.171 -0.379 3.392 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -6.672 0.340 1.575 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -6.910 1.625 2.783 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.398 0.686 2.769 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -6.744 -2.033 2.246 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.475 -1.776 3.467 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.038 -2.480 3.943 1.00 0.27 H new ATOM 2149 N ALA A 138 -5.886 -1.486 7.753 1.00 0.20 N ATOM 2150 CA ALA A 138 -5.191 -1.390 9.028 1.00 0.21 C ATOM 2151 C ALA A 138 -3.871 -2.150 8.986 1.00 0.22 C ATOM 2152 O ALA A 138 -3.725 -3.125 8.246 1.00 0.30 O ATOM 2153 CB ALA A 138 -6.074 -1.928 10.144 1.00 0.20 C ATOM 0 H ALA A 138 -5.566 -2.249 7.156 1.00 0.20 H new ATOM 0 HA ALA A 138 -4.972 -0.340 9.222 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.546 -1.852 11.094 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -6.994 -1.346 10.193 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.316 -2.972 9.945 1.00 0.20 H new ATOM 2159 N LEU A 139 -2.907 -1.692 9.780 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.601 -2.335 9.843 1.00 0.21 C ATOM 2161 C LEU A 139 -1.707 -3.685 10.542 1.00 0.22 C ATOM 2162 O LEU A 139 -1.670 -3.762 11.771 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.603 -1.441 10.582 1.00 0.23 C ATOM 2164 CG LEU A 139 -0.387 -0.054 9.972 1.00 0.30 C ATOM 2165 CD1 LEU A 139 0.591 0.749 10.817 1.00 0.62 C ATOM 2166 CD2 LEU A 139 0.117 -0.168 8.540 1.00 0.82 C ATOM 0 H LEU A 139 -3.007 -0.879 10.388 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.246 -2.493 8.825 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -0.943 -1.318 11.610 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.358 -1.955 10.623 1.00 0.23 H new ATOM 0 HG LEU A 139 -1.344 0.467 9.957 1.00 0.30 H new ATOM 0 HD11 LEU A 139 0.735 1.733 10.371 1.00 0.62 H new ATOM 0 HD12 LEU A 139 0.193 0.862 11.825 1.00 0.62 H new ATOM 0 HD13 LEU A 139 1.547 0.228 10.861 1.00 0.62 H new ATOM 0 HD21 LEU A 139 0.264 0.829 8.125 1.00 0.82 H new ATOM 0 HD22 LEU A 139 1.064 -0.708 8.529 1.00 0.82 H new ATOM 0 HD23 LEU A 139 -0.615 -0.707 7.938 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.841 -4.746 9.754 1.00 0.18 N ATOM 2179 CA ILE A 140 -1.965 -6.090 10.303 1.00 0.19 C ATOM 2180 C ILE A 140 -0.607 -6.775 10.404 1.00 0.25 C ATOM 2181 O ILE A 140 0.136 -6.857 9.425 1.00 0.31 O ATOM 2182 CB ILE A 140 -2.910 -6.958 9.448 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -4.259 -6.256 9.275 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -3.095 -8.329 10.082 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -5.238 -7.022 8.412 1.00 0.44 C ATOM 0 H ILE A 140 -1.866 -4.701 8.735 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.385 -5.986 11.303 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.463 -7.096 8.464 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -4.703 -6.095 10.257 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -4.093 -5.273 8.835 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -3.765 -8.928 9.465 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.129 -8.828 10.158 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.524 -8.215 11.078 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -6.170 -6.463 8.335 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -4.815 -7.160 7.417 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -5.435 -7.995 8.861 1.00 0.44 H new ATOM 2197 N LYS A 141 -0.291 -7.265 11.599 1.00 0.35 N ATOM 2198 CA LYS A 141 0.972 -7.950 11.839 1.00 0.44 C ATOM 2199 C LYS A 141 0.844 -9.435 11.514 1.00 0.32 C ATOM 2200 O LYS A 141 0.104 -10.162 12.177 1.00 0.50 O ATOM 2201 CB LYS A 141 1.403 -7.767 13.296 1.00 0.70 C ATOM 2202 CG LYS A 141 2.738 -8.408 13.622 1.00 0.79 C ATOM 2203 CD LYS A 141 3.172 -8.096 15.045 1.00 0.98 C ATOM 2204 CE LYS A 141 4.526 -8.709 15.361 1.00 1.45 C ATOM 2205 NZ LYS A 141 4.969 -8.389 16.745 1.00 2.04 N ATOM 0 H LYS A 141 -0.895 -7.199 12.418 1.00 0.35 H new ATOM 0 HA LYS A 141 1.731 -7.515 11.188 1.00 0.44 H new ATOM 0 HB2 LYS A 141 1.458 -6.701 13.518 1.00 0.70 H new ATOM 0 HB3 LYS A 141 0.638 -8.190 13.948 1.00 0.70 H new ATOM 0 HG2 LYS A 141 2.666 -9.488 13.491 1.00 0.79 H new ATOM 0 HG3 LYS A 141 3.495 -8.051 12.923 1.00 0.79 H new ATOM 0 HD2 LYS A 141 3.219 -7.016 15.184 1.00 0.98 H new ATOM 0 HD3 LYS A 141 2.427 -8.475 15.745 1.00 0.98 H new ATOM 0 HE2 LYS A 141 4.473 -9.791 15.238 1.00 1.45 H new ATOM 0 HE3 LYS A 141 5.266 -8.343 14.649 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 5.896 -8.825 16.922 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 5.044 -7.358 16.856 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 4.276 -8.761 17.426 1.00 2.04 H new ATOM 2219 N VAL A 142 1.568 -9.878 10.492 1.00 0.35 N ATOM 2220 CA VAL A 142 1.526 -11.274 10.077 1.00 0.41 C ATOM 2221 C VAL A 142 2.930 -11.865 9.975 1.00 0.49 C ATOM 2222 O VAL A 142 3.828 -11.261 9.392 1.00 0.70 O ATOM 2223 CB VAL A 142 0.816 -11.426 8.719 1.00 0.56 C ATOM 2224 CG1 VAL A 142 0.637 -12.895 8.373 1.00 0.92 C ATOM 2225 CG2 VAL A 142 -0.525 -10.708 8.730 1.00 0.81 C ATOM 0 H VAL A 142 2.190 -9.291 9.937 1.00 0.35 H new ATOM 0 HA VAL A 142 0.966 -11.816 10.839 1.00 0.41 H new ATOM 0 HB VAL A 142 1.440 -10.967 7.952 1.00 0.56 H new ATOM 0 HG11 VAL A 142 0.134 -12.983 7.410 1.00 0.92 H new ATOM 0 HG12 VAL A 142 1.613 -13.377 8.318 1.00 0.92 H new ATOM 0 HG13 VAL A 142 0.036 -13.379 9.142 1.00 0.92 H new ATOM 0 HG21 VAL A 142 -1.010 -10.828 7.761 1.00 0.81 H new ATOM 0 HG22 VAL A 142 -1.159 -11.133 9.508 1.00 0.81 H new ATOM 0 HG23 VAL A 142 -0.368 -9.648 8.929 1.00 0.81 H new ATOM 2328 N THR A 150 -3.376 -15.673 5.018 1.00 0.52 N ATOM 2329 CA THR A 150 -3.945 -14.403 5.458 1.00 0.47 C ATOM 2330 C THR A 150 -4.556 -13.647 4.282 1.00 0.37 C ATOM 2331 O THR A 150 -3.870 -12.901 3.587 1.00 0.35 O ATOM 2332 CB THR A 150 -2.882 -13.515 6.132 1.00 0.52 C ATOM 2333 OG1 THR A 150 -2.247 -14.234 7.196 1.00 0.83 O ATOM 2334 CG2 THR A 150 -3.504 -12.241 6.681 1.00 1.06 C ATOM 0 HA THR A 150 -4.723 -14.634 6.185 1.00 0.47 H new ATOM 0 HB THR A 150 -2.141 -13.244 5.380 1.00 0.52 H new ATOM 0 HG1 THR A 150 -2.266 -15.194 6.999 1.00 0.83 H new ATOM 0 HG21 THR A 150 -2.732 -11.632 7.151 1.00 1.06 H new ATOM 0 HG22 THR A 150 -3.962 -11.680 5.867 1.00 1.06 H new ATOM 0 HG23 THR A 150 -4.265 -12.496 7.419 1.00 1.06 H new ATOM 2342 N GLU A 151 -5.852 -13.845 4.070 1.00 0.38 N ATOM 2343 CA GLU A 151 -6.564 -13.190 2.977 1.00 0.34 C ATOM 2344 C GLU A 151 -6.628 -11.679 3.183 1.00 0.28 C ATOM 2345 O GLU A 151 -6.886 -10.927 2.243 1.00 0.28 O ATOM 2346 CB GLU A 151 -7.981 -13.756 2.858 1.00 0.46 C ATOM 2347 CG GLU A 151 -8.021 -15.256 2.630 1.00 1.22 C ATOM 2348 CD GLU A 151 -9.433 -15.805 2.611 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -10.045 -15.836 1.522 1.00 1.95 O ATOM 2350 OE2 GLU A 151 -9.928 -16.205 3.685 1.00 1.46 O ATOM 0 H GLU A 151 -6.434 -14.456 4.643 1.00 0.38 H new ATOM 0 HA GLU A 151 -6.015 -13.386 2.056 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -8.534 -13.521 3.767 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -8.494 -13.258 2.035 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -7.532 -15.489 1.684 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -7.452 -15.754 3.415 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.390 -11.242 4.414 1.00 0.27 N ATOM 2358 CA ASN A 152 -6.429 -9.821 4.744 1.00 0.28 C ATOM 2359 C ASN A 152 -5.302 -9.053 4.057 1.00 0.29 C ATOM 2360 O ASN A 152 -5.520 -7.970 3.516 1.00 0.32 O ATOM 2361 CB ASN A 152 -6.340 -9.628 6.260 1.00 0.37 C ATOM 2362 CG ASN A 152 -7.484 -10.293 6.999 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -8.590 -10.423 6.471 1.00 1.30 O ATOM 2364 ND2 ASN A 152 -7.225 -10.715 8.230 1.00 1.29 N ATOM 0 H ASN A 152 -6.168 -11.851 5.201 1.00 0.27 H new ATOM 0 HA ASN A 152 -7.377 -9.424 4.382 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -5.395 -10.034 6.620 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -6.336 -8.562 6.487 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -7.956 -11.168 8.778 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -6.295 -10.587 8.628 1.00 1.29 H new ATOM 2371 N ILE A 153 -4.099 -9.620 4.078 1.00 0.31 N ATOM 2372 CA ILE A 153 -2.941 -8.974 3.468 1.00 0.37 C ATOM 2373 C ILE A 153 -2.902 -9.195 1.958 1.00 0.38 C ATOM 2374 O ILE A 153 -2.054 -8.632 1.262 1.00 0.71 O ATOM 2375 CB ILE A 153 -1.622 -9.481 4.084 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -1.464 -10.986 3.847 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -1.580 -9.164 5.572 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.117 -11.531 4.270 1.00 0.48 C ATOM 0 H ILE A 153 -3.901 -10.523 4.509 1.00 0.31 H new ATOM 0 HA ILE A 153 -3.043 -7.907 3.668 1.00 0.37 H new ATOM 0 HB ILE A 153 -0.791 -8.970 3.598 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.247 -11.515 4.391 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.614 -11.196 2.788 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -0.643 -9.527 5.995 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -1.649 -8.086 5.716 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -2.417 -9.652 6.072 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.079 -12.602 4.072 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.671 -11.030 3.708 1.00 0.48 H new ATOM 0 HD13 ILE A 153 0.029 -11.354 5.336 1.00 0.48 H new ATOM 2390 N LEU A 154 -3.819 -10.013 1.452 1.00 0.24 N ATOM 2391 CA LEU A 154 -3.878 -10.300 0.023 1.00 0.22 C ATOM 2392 C LEU A 154 -4.737 -9.270 -0.702 1.00 0.20 C ATOM 2393 O LEU A 154 -5.927 -9.128 -0.415 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.430 -11.708 -0.217 1.00 0.23 C ATOM 2395 CG LEU A 154 -3.618 -12.841 0.415 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.272 -14.185 0.136 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.185 -12.826 -0.102 1.00 0.35 C ATOM 0 H LEU A 154 -4.530 -10.488 2.008 1.00 0.24 H new ATOM 0 HA LEU A 154 -2.865 -10.246 -0.375 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.448 -11.753 0.169 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.489 -11.880 -1.292 1.00 0.23 H new ATOM 0 HG LEU A 154 -3.595 -12.687 1.494 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -3.681 -14.979 0.593 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.278 -14.194 0.555 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -4.326 -14.347 -0.941 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -1.623 -13.639 0.359 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -2.187 -12.955 -1.184 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -1.717 -11.874 0.149 1.00 0.35 H new ATOM 2409 N PHE A 155 -4.127 -8.553 -1.641 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.834 -7.533 -2.405 1.00 0.18 C ATOM 2411 C PHE A 155 -4.734 -7.790 -3.904 1.00 0.17 C ATOM 2412 O PHE A 155 -3.806 -8.446 -4.373 1.00 0.20 O ATOM 2413 CB PHE A 155 -4.275 -6.146 -2.083 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.698 -5.630 -0.739 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -4.112 -6.117 0.418 1.00 0.43 C ATOM 2416 CD2 PHE A 155 -5.679 -4.658 -0.633 1.00 0.37 C ATOM 2417 CE1 PHE A 155 -4.498 -5.642 1.657 1.00 0.52 C ATOM 2418 CE2 PHE A 155 -6.069 -4.180 0.602 1.00 0.42 C ATOM 2419 CZ PHE A 155 -5.482 -4.673 1.747 1.00 0.42 C ATOM 0 H PHE A 155 -3.144 -8.660 -1.891 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.885 -7.577 -2.120 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -3.186 -6.183 -2.124 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -4.599 -5.444 -2.852 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -3.346 -6.875 0.351 1.00 0.43 H new ATOM 0 HD2 PHE A 155 -6.144 -4.270 -1.527 1.00 0.37 H new ATOM 0 HE1 PHE A 155 -4.033 -6.026 2.553 1.00 0.52 H new ATOM 0 HE2 PHE A 155 -6.834 -3.420 0.671 1.00 0.42 H new ATOM 0 HZ PHE A 155 -5.790 -4.303 2.714 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.702 -7.262 -4.645 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.741 -7.417 -6.094 1.00 0.21 C ATOM 2431 C LYS A 156 -5.845 -6.054 -6.770 1.00 0.22 C ATOM 2432 O LYS A 156 -6.645 -5.210 -6.364 1.00 0.28 O ATOM 2433 CB LYS A 156 -6.924 -8.298 -6.503 1.00 0.24 C ATOM 2434 CG LYS A 156 -6.903 -9.681 -5.869 1.00 0.27 C ATOM 2435 CD LYS A 156 -8.175 -10.458 -6.176 1.00 0.40 C ATOM 2436 CE LYS A 156 -8.334 -10.712 -7.667 1.00 0.93 C ATOM 2437 NZ LYS A 156 -9.590 -11.452 -7.973 1.00 1.38 N ATOM 0 H LYS A 156 -6.476 -6.719 -4.262 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.817 -7.898 -6.416 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.852 -7.796 -6.229 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -6.928 -8.405 -7.588 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -6.040 -10.236 -6.235 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -6.786 -9.585 -4.790 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -8.157 -11.410 -5.645 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -9.038 -9.903 -5.807 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -8.334 -9.761 -8.199 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -7.479 -11.281 -8.032 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -9.661 -11.605 -8.999 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -9.579 -12.371 -7.486 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -10.408 -10.897 -7.648 1.00 1.38 H new ATOM 2451 N LEU A 157 -5.033 -5.844 -7.800 1.00 0.25 N ATOM 2452 CA LEU A 157 -5.029 -4.579 -8.526 1.00 0.29 C ATOM 2453 C LEU A 157 -5.522 -4.765 -9.958 1.00 0.32 C ATOM 2454 O LEU A 157 -5.226 -5.772 -10.601 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.620 -3.980 -8.530 1.00 0.39 C ATOM 2456 CG LEU A 157 -3.073 -3.589 -7.155 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -1.588 -3.277 -7.244 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -3.835 -2.395 -6.596 1.00 0.51 C ATOM 0 H LEU A 157 -4.369 -6.534 -8.151 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.709 -3.895 -8.019 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -2.938 -4.700 -8.983 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.620 -3.096 -9.168 1.00 0.39 H new ATOM 0 HG LEU A 157 -3.210 -4.432 -6.478 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -1.215 -3.001 -6.258 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -1.052 -4.156 -7.602 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -1.431 -2.450 -7.936 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -3.432 -2.132 -5.618 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -3.729 -1.547 -7.272 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -4.890 -2.651 -6.497 1.00 0.51 H new ATOM 2470 N SER A 158 -6.275 -3.785 -10.448 1.00 0.41 N ATOM 2471 CA SER A 158 -6.809 -3.836 -11.805 1.00 0.48 C ATOM 2472 C SER A 158 -6.036 -2.893 -12.720 1.00 0.50 C ATOM 2473 O SER A 158 -5.525 -1.865 -12.277 1.00 0.69 O ATOM 2474 CB SER A 158 -8.292 -3.463 -11.811 1.00 0.57 C ATOM 2475 OG SER A 158 -9.027 -4.280 -10.916 1.00 1.47 O ATOM 0 H SER A 158 -6.529 -2.946 -9.926 1.00 0.41 H new ATOM 0 HA SER A 158 -6.699 -4.855 -12.175 1.00 0.48 H new ATOM 0 HB2 SER A 158 -8.408 -2.416 -11.531 1.00 0.57 H new ATOM 0 HB3 SER A 158 -8.693 -3.570 -12.819 1.00 0.57 H new ATOM 0 HG SER A 158 -9.972 -4.021 -10.937 1.00 1.47 H new ATOM 2481 N GLU A 159 -5.957 -3.247 -13.997 1.00 0.58 N ATOM 2482 CA GLU A 159 -5.246 -2.428 -14.971 1.00 0.66 C ATOM 2483 C GLU A 159 -6.227 -1.674 -15.866 1.00 0.60 C ATOM 2484 O GLU A 159 -6.593 -2.149 -16.941 1.00 0.73 O ATOM 2485 CB GLU A 159 -4.319 -3.298 -15.825 1.00 0.94 C ATOM 2486 CG GLU A 159 -3.096 -3.812 -15.081 1.00 1.13 C ATOM 2487 CD GLU A 159 -3.451 -4.715 -13.913 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -3.724 -5.910 -14.149 1.00 2.11 O ATOM 2489 OE2 GLU A 159 -3.454 -4.226 -12.764 1.00 2.23 O ATOM 0 H GLU A 159 -6.376 -4.094 -14.382 1.00 0.58 H new ATOM 0 HA GLU A 159 -4.645 -1.700 -14.427 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -4.884 -4.149 -16.206 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -3.990 -2.721 -16.689 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -2.458 -4.359 -15.775 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -2.517 -2.964 -14.715 1.00 1.13 H new ATOM 2496 N THR A 160 -6.648 -0.495 -15.414 1.00 0.57 N ATOM 2497 CA THR A 160 -7.582 0.329 -16.174 1.00 0.69 C ATOM 2498 C THR A 160 -7.592 1.769 -15.663 1.00 1.35 C ATOM 2499 O THR A 160 -8.316 2.047 -14.684 1.00 1.89 O ATOM 2500 CB THR A 160 -9.014 -0.242 -16.124 1.00 1.14 C ATOM 2501 OG1 THR A 160 -9.951 0.743 -16.577 1.00 1.94 O ATOM 2502 CG2 THR A 160 -9.380 -0.689 -14.716 1.00 1.98 C ATOM 2503 OXT THR A 160 -6.872 2.607 -16.246 1.00 2.15 O ATOM 0 H THR A 160 -6.356 -0.089 -14.525 1.00 0.57 H new ATOM 0 HA THR A 160 -7.238 0.320 -17.208 1.00 0.69 H new ATOM 0 HB THR A 160 -9.053 -1.111 -16.780 1.00 1.14 H new ATOM 0 HG1 THR A 160 -10.857 0.372 -16.544 1.00 1.94 H new ATOM 0 HG21 THR A 160 -10.395 -1.087 -14.713 1.00 1.98 H new ATOM 0 HG22 THR A 160 -8.686 -1.463 -14.388 1.00 1.98 H new ATOM 0 HG23 THR A 160 -9.322 0.162 -14.037 1.00 1.98 H new