USER MOD reduce.3.24.130724 H: found=0, std=0, add=1219, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1221 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 73 TYR OH : rot 21:sc= 0.468 USER MOD Set 1.2: A 168 CYS SG : rot 61:sc= 0.712 USER MOD Set 2.1: A 134 SER OG : rot 180:sc= 0.206 USER MOD Set 2.2: A 136 LYS NZ :NH3+ 160:sc= 0.218 (180deg=-0.06) USER MOD Set 3.1: A 109 HIS : no HE2:sc=-0.00196 X(o=0.053,f=-0.39) USER MOD Set 3.2: A 147 SER OG : rot 29:sc= 0.055 USER MOD Set 4.1: A 15 ASN : amide:sc= -0.331 K(o=0.89,f=0.22) USER MOD Set 4.2: A 63 THR OG1 : rot -94:sc= 1.22 USER MOD Set 5.1: A 58 GLN : amide:sc= -0.918 K(o=-1.1,f=-1.7!) USER MOD Set 5.2: A 62 GLN :FLIP amide:sc= -0.142 F(o=-1.9,f=-1.1) USER MOD Single : A 9 LYS NZ :NH3+ -106:sc= 0.272 (180deg=-0.351) USER MOD Single : A 20 SER OG : rot -55:sc= 0.165 USER MOD Single : A 21 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.38) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-4.2!) USER MOD Single : A 29 TYR OH : rot 176:sc= -3.53! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 80:sc= -2.2 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.309 F(o=-1.2,f=-0.31) USER MOD Single : A 61 TYR OH : rot 103:sc= 0.496 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0408 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.889 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.813 USER MOD Single : A 98 GLN : amide:sc= -0.0017 K(o=-0.0017,f=-0.79) USER MOD Single : A 99 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.024) USER MOD Single : A 100 LYS NZ :NH3+ -133:sc= -0.175 (180deg=-1.56) USER MOD Single : A 107 ASN : amide:sc= -4.41! C(o=-4.4!,f=-7.8!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -10:sc= 0.737 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ -132:sc= -0.205 (180deg=-1.69!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ -164:sc=-0.00331 (180deg=-0.407) USER MOD Single : A 154 SER OG : rot 20:sc= 0.0186 USER MOD Single : A 159 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0841) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.8!) USER MOD Single : A 166 LYS NZ :NH3+ -108:sc= 1.16 (180deg=-0.341) USER MOD Single : A 173 MET CE :methyl 138:sc= -0.373 (180deg=-1.42) USER MOD Single : A 174 LYS NZ :NH3+ -161:sc= -0.0977 (180deg=-0.506) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 12.798 -12.840 2.743 1.00 0.23 N ATOM 56 CA LEU A 6 12.056 -11.553 2.681 1.00 0.22 C ATOM 57 C LEU A 6 11.768 -10.939 4.082 1.00 0.17 C ATOM 58 O LEU A 6 11.979 -9.735 4.291 1.00 0.16 O ATOM 59 CB LEU A 6 10.749 -11.767 1.890 1.00 0.24 C ATOM 60 CG LEU A 6 9.915 -10.515 1.480 1.00 0.27 C ATOM 61 CD1 LEU A 6 10.746 -9.351 0.939 1.00 0.33 C ATOM 62 CD2 LEU A 6 8.863 -10.895 0.437 1.00 0.35 C ATOM 0 HA LEU A 6 12.690 -10.828 2.171 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.998 -12.312 0.980 1.00 0.24 H new ATOM 0 HB3 LEU A 6 10.104 -12.415 2.484 1.00 0.24 H new ATOM 0 HG LEU A 6 9.449 -10.169 2.402 1.00 0.27 H new ATOM 0 HD11 LEU A 6 10.086 -8.523 0.679 1.00 0.33 H new ATOM 0 HD12 LEU A 6 11.454 -9.025 1.700 1.00 0.33 H new ATOM 0 HD13 LEU A 6 11.290 -9.674 0.052 1.00 0.33 H new ATOM 0 HD21 LEU A 6 8.289 -10.011 0.161 1.00 0.35 H new ATOM 0 HD22 LEU A 6 9.356 -11.298 -0.447 1.00 0.35 H new ATOM 0 HD23 LEU A 6 8.193 -11.647 0.853 1.00 0.35 H new ATOM 74 N ALA A 7 11.252 -11.787 5.026 1.00 0.17 N ATOM 75 CA ALA A 7 10.971 -11.429 6.459 1.00 0.16 C ATOM 76 C ALA A 7 12.210 -10.840 7.265 1.00 0.15 C ATOM 77 O ALA A 7 12.037 -10.140 8.273 1.00 0.15 O ATOM 78 CB ALA A 7 10.438 -12.689 7.172 1.00 0.20 C ATOM 0 H ALA A 7 11.015 -12.755 4.810 1.00 0.17 H new ATOM 0 HA ALA A 7 10.239 -10.621 6.441 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.226 -12.455 8.215 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.524 -13.025 6.683 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.187 -13.479 7.123 1.00 0.20 H new ATOM 84 N ASP A 8 13.457 -11.144 6.791 1.00 0.16 N ATOM 85 CA ASP A 8 14.724 -10.642 7.383 1.00 0.18 C ATOM 86 C ASP A 8 15.168 -9.251 6.815 1.00 0.17 C ATOM 87 O ASP A 8 15.980 -8.564 7.443 1.00 0.21 O ATOM 88 CB ASP A 8 15.851 -11.666 7.162 1.00 0.21 C ATOM 89 CG ASP A 8 16.046 -12.608 8.346 1.00 0.26 C ATOM 90 OD1 ASP A 8 16.827 -12.264 9.257 1.00 0.32 O ATOM 91 OD2 ASP A 8 15.415 -13.687 8.357 1.00 0.31 O ATOM 0 H ASP A 8 13.605 -11.748 5.983 1.00 0.16 H new ATOM 0 HA ASP A 8 14.532 -10.506 8.447 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.630 -12.253 6.271 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.784 -11.135 6.971 1.00 0.21 H new ATOM 96 N LYS A 9 14.627 -8.849 5.628 1.00 0.14 N ATOM 97 CA LYS A 9 14.968 -7.552 4.990 1.00 0.14 C ATOM 98 C LYS A 9 13.855 -6.467 5.126 1.00 0.10 C ATOM 99 O LYS A 9 14.097 -5.313 4.763 1.00 0.10 O ATOM 100 CB LYS A 9 15.350 -7.724 3.492 1.00 0.19 C ATOM 101 CG LYS A 9 16.146 -9.011 3.178 1.00 0.32 C ATOM 102 CD LYS A 9 16.639 -9.068 1.714 1.00 0.92 C ATOM 103 CE LYS A 9 17.413 -10.359 1.408 1.00 1.20 C ATOM 104 NZ LYS A 9 17.932 -10.371 0.013 1.00 1.73 N ATOM 0 H LYS A 9 13.956 -9.406 5.099 1.00 0.14 H new ATOM 0 HA LYS A 9 15.835 -7.193 5.545 1.00 0.14 H new ATOM 0 HB2 LYS A 9 14.438 -7.721 2.895 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.939 -6.862 3.179 1.00 0.19 H new ATOM 0 HG2 LYS A 9 17.003 -9.075 3.848 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.518 -9.879 3.379 1.00 0.32 H new ATOM 0 HD2 LYS A 9 15.784 -8.992 1.042 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.278 -8.208 1.515 1.00 0.92 H new ATOM 0 HE2 LYS A 9 18.244 -10.460 2.106 1.00 1.20 H new ATOM 0 HE3 LYS A 9 16.761 -11.219 1.562 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 17.365 -11.026 -0.563 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 17.870 -9.414 -0.389 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 18.924 -10.682 0.014 1.00 1.73 H new ATOM 118 N VAL A 10 12.622 -6.834 5.633 1.00 0.09 N ATOM 119 CA VAL A 10 11.488 -5.863 5.890 1.00 0.07 C ATOM 120 C VAL A 10 11.863 -4.745 6.965 1.00 0.06 C ATOM 121 O VAL A 10 12.442 -5.044 8.018 1.00 0.09 O ATOM 122 CB VAL A 10 10.086 -6.642 6.233 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.109 -7.534 7.511 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.859 -5.691 6.329 1.00 0.10 C ATOM 0 H VAL A 10 12.389 -7.798 5.872 1.00 0.09 H new ATOM 0 HA VAL A 10 11.320 -5.321 4.959 1.00 0.07 H new ATOM 0 HB VAL A 10 9.983 -7.301 5.371 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.134 -8.002 7.645 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.871 -8.306 7.402 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.339 -6.918 8.381 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.966 -6.272 6.558 1.00 0.10 H new ATOM 0 HG22 VAL A 10 9.028 -4.958 7.118 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.723 -5.176 5.378 1.00 0.10 H new ATOM 134 N ILE A 11 11.511 -3.482 6.653 1.00 0.06 N ATOM 135 CA ILE A 11 11.795 -2.357 7.579 1.00 0.07 C ATOM 136 C ILE A 11 10.521 -1.633 8.073 1.00 0.07 C ATOM 137 O ILE A 11 10.529 -1.093 9.184 1.00 0.08 O ATOM 138 CB ILE A 11 12.792 -1.273 6.997 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.420 -0.858 5.529 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.279 -1.755 7.111 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.545 0.644 5.230 1.00 0.16 C ATOM 0 H ILE A 11 11.040 -3.214 5.789 1.00 0.06 H new ATOM 0 HA ILE A 11 12.278 -2.852 8.421 1.00 0.07 H new ATOM 0 HB ILE A 11 12.691 -0.375 7.607 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.061 -1.406 4.839 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.395 -1.170 5.327 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.941 -0.991 6.704 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.526 -1.929 8.158 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.405 -2.681 6.550 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.267 0.833 4.193 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.882 1.203 5.891 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.574 0.963 5.394 1.00 0.16 H new ATOM 153 N TRP A 12 9.426 -1.626 7.266 1.00 0.06 N ATOM 154 CA TRP A 12 8.194 -0.904 7.650 1.00 0.07 C ATOM 155 C TRP A 12 6.966 -1.350 6.802 1.00 0.08 C ATOM 156 O TRP A 12 6.966 -1.208 5.588 1.00 0.10 O ATOM 157 CB TRP A 12 8.509 0.599 7.492 1.00 0.10 C ATOM 158 CG TRP A 12 7.489 1.546 8.032 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.439 2.137 9.262 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.386 2.029 7.306 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.348 2.967 9.329 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.686 2.910 8.129 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.936 1.784 6.022 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.546 3.556 7.695 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.823 2.406 5.581 1.00 0.51 C ATOM 166 CH2 TRP A 12 4.121 3.295 6.408 1.00 0.54 C ATOM 0 H TRP A 12 9.375 -2.103 6.366 1.00 0.06 H new ATOM 0 HA TRP A 12 7.912 -1.130 8.678 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.460 0.803 7.983 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.646 0.811 6.432 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.149 1.976 10.060 1.00 0.19 H new ATOM 0 HE1 TRP A 12 6.076 3.531 10.134 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.470 1.101 5.378 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 4.008 4.238 8.337 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.468 2.217 4.579 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.234 3.783 6.032 1.00 0.54 H new ATOM 177 N ALA A 13 5.905 -1.907 7.459 1.00 0.09 N ATOM 178 CA ALA A 13 4.655 -2.358 6.752 1.00 0.12 C ATOM 179 C ALA A 13 3.370 -1.945 7.523 1.00 0.16 C ATOM 180 O ALA A 13 3.266 -2.148 8.747 1.00 0.19 O ATOM 181 CB ALA A 13 4.652 -3.886 6.498 1.00 0.14 C ATOM 0 H ALA A 13 5.885 -2.056 8.468 1.00 0.09 H new ATOM 0 HA ALA A 13 4.653 -1.851 5.787 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.732 -4.168 5.986 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.508 -4.154 5.879 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.713 -4.413 7.450 1.00 0.14 H new ATOM 187 N VAL A 14 2.381 -1.341 6.798 1.00 0.20 N ATOM 188 CA VAL A 14 1.096 -0.866 7.431 1.00 0.26 C ATOM 189 C VAL A 14 -0.154 -1.096 6.507 1.00 0.27 C ATOM 190 O VAL A 14 -0.153 -0.745 5.326 1.00 0.28 O ATOM 191 CB VAL A 14 1.113 0.713 7.862 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.117 1.170 8.683 1.00 0.80 C ATOM 193 CG2 VAL A 14 2.308 1.139 8.720 1.00 1.05 C ATOM 0 H VAL A 14 2.439 -1.171 5.794 1.00 0.20 H new ATOM 0 HA VAL A 14 1.016 -1.475 8.331 1.00 0.26 H new ATOM 0 HB VAL A 14 1.143 1.179 6.877 1.00 0.34 H new ATOM 0 HG11 VAL A 14 -0.021 2.229 8.924 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -1.024 1.012 8.099 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.174 0.592 9.605 1.00 0.80 H new ATOM 0 HG21 VAL A 14 2.228 2.201 8.953 1.00 1.05 H new ATOM 0 HG22 VAL A 14 2.315 0.564 9.646 1.00 1.05 H new ATOM 0 HG23 VAL A 14 3.233 0.956 8.173 1.00 1.05 H new ATOM 203 N ASN A 15 -1.236 -1.653 7.116 1.00 0.33 N ATOM 204 CA ASN A 15 -2.549 -1.768 6.438 1.00 0.43 C ATOM 205 C ASN A 15 -3.561 -0.932 7.260 1.00 0.46 C ATOM 206 O ASN A 15 -3.912 -1.287 8.389 1.00 0.55 O ATOM 207 CB ASN A 15 -3.042 -3.243 6.188 1.00 0.56 C ATOM 208 CG ASN A 15 -4.253 -3.387 5.250 1.00 1.40 C ATOM 209 OD1 ASN A 15 -5.021 -4.328 5.380 1.00 2.05 O ATOM 210 ND2 ASN A 15 -4.433 -2.458 4.327 1.00 2.11 N ATOM 0 H ASN A 15 -1.222 -2.025 8.066 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.451 -1.378 5.425 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.214 -3.819 5.775 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.294 -3.691 7.149 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -5.233 -2.514 3.696 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -3.772 -1.685 4.246 1.00 2.11 H new ATOM 217 N ALA A 16 -4.026 0.190 6.661 1.00 0.47 N ATOM 218 CA ALA A 16 -4.998 1.115 7.295 1.00 0.54 C ATOM 219 C ALA A 16 -6.451 0.561 7.205 1.00 0.58 C ATOM 220 O ALA A 16 -7.088 0.543 6.124 1.00 0.63 O ATOM 221 CB ALA A 16 -4.868 2.515 6.656 1.00 0.59 C ATOM 0 H ALA A 16 -3.739 0.480 5.726 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.769 1.201 8.357 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.582 3.195 7.121 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.856 2.892 6.807 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -5.074 2.448 5.588 1.00 0.59 H new ATOM 227 N GLY A 17 -6.908 0.018 8.354 1.00 0.58 N ATOM 228 CA GLY A 17 -8.240 -0.563 8.440 1.00 0.61 C ATOM 229 C GLY A 17 -8.476 -1.605 9.531 1.00 0.62 C ATOM 230 O GLY A 17 -9.638 -1.921 9.811 1.00 0.71 O ATOM 0 H GLY A 17 -6.371 -0.024 9.220 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.954 0.248 8.587 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.472 -1.022 7.479 1.00 0.61 H new ATOM 234 N GLY A 18 -7.417 -2.142 10.154 1.00 0.72 N ATOM 235 CA GLY A 18 -7.633 -3.177 11.178 1.00 0.73 C ATOM 236 C GLY A 18 -6.653 -3.180 12.343 1.00 0.68 C ATOM 237 O GLY A 18 -6.383 -2.142 12.958 1.00 0.80 O ATOM 0 H GLY A 18 -6.444 -1.892 9.979 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.640 -3.060 11.577 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.593 -4.153 10.694 1.00 0.73 H new ATOM 241 N GLU A 19 -6.131 -4.389 12.645 1.00 0.59 N ATOM 242 CA GLU A 19 -5.172 -4.587 13.731 1.00 0.60 C ATOM 243 C GLU A 19 -4.199 -5.722 13.400 1.00 0.54 C ATOM 244 O GLU A 19 -4.597 -6.885 13.284 1.00 0.65 O ATOM 245 CB GLU A 19 -5.922 -4.851 15.073 1.00 0.77 C ATOM 246 CG GLU A 19 -5.071 -5.422 16.230 1.00 1.43 C ATOM 247 CD GLU A 19 -5.807 -5.402 17.556 1.00 1.39 C ATOM 248 OE1 GLU A 19 -5.782 -4.354 18.234 1.00 1.50 O ATOM 249 OE2 GLU A 19 -6.410 -6.436 17.916 1.00 1.63 O ATOM 0 H GLU A 19 -6.367 -5.244 12.141 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.583 -3.677 13.847 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -6.368 -3.914 15.406 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -6.742 -5.542 14.877 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -4.782 -6.446 15.994 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -4.151 -4.844 16.320 1.00 1.43 H new ATOM 256 N SER A 20 -2.909 -5.309 13.289 1.00 0.48 N ATOM 257 CA SER A 20 -1.662 -6.118 13.008 1.00 0.45 C ATOM 258 C SER A 20 -1.771 -7.523 12.306 1.00 0.43 C ATOM 259 O SER A 20 -2.391 -8.444 12.851 1.00 0.51 O ATOM 260 CB SER A 20 -0.893 -6.303 14.322 1.00 0.52 C ATOM 261 OG SER A 20 -0.183 -5.128 14.684 1.00 1.00 O ATOM 0 H SER A 20 -2.680 -4.321 13.401 1.00 0.48 H new ATOM 0 HA SER A 20 -1.165 -5.511 12.251 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.590 -6.567 15.118 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.195 -7.134 14.221 1.00 0.52 H new ATOM 0 HG SER A 20 0.400 -4.857 13.944 1.00 1.00 H new ATOM 267 N HIS A 21 -1.126 -7.695 11.127 1.00 0.39 N ATOM 268 CA HIS A 21 -1.164 -9.024 10.431 1.00 0.40 C ATOM 269 C HIS A 21 0.171 -9.413 9.789 1.00 0.40 C ATOM 270 O HIS A 21 0.867 -8.610 9.177 1.00 0.41 O ATOM 271 CB HIS A 21 -2.318 -9.141 9.386 1.00 0.43 C ATOM 272 CG HIS A 21 -2.347 -10.437 8.586 1.00 0.41 C ATOM 273 ND1 HIS A 21 -2.947 -11.588 9.030 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.795 -10.766 7.377 1.00 0.45 C ATOM 275 CE1 HIS A 21 -2.752 -12.540 8.135 1.00 0.40 C ATOM 276 NE2 HIS A 21 -2.067 -12.063 7.141 1.00 0.43 N ATOM 0 H HIS A 21 -0.592 -6.971 10.647 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.366 -9.737 11.231 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.269 -9.034 9.907 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.241 -8.306 8.690 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -1.241 -10.104 6.729 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.107 -13.557 8.218 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -1.781 -12.587 6.314 1.00 0.43 H new ATOM 285 N VAL A 22 0.437 -10.720 9.877 1.00 0.41 N ATOM 286 CA VAL A 22 1.647 -11.357 9.306 1.00 0.43 C ATOM 287 C VAL A 22 1.296 -12.160 8.039 1.00 0.44 C ATOM 288 O VAL A 22 0.581 -13.168 8.078 1.00 0.48 O ATOM 289 CB VAL A 22 2.508 -12.315 10.248 1.00 0.49 C ATOM 290 CG1 VAL A 22 3.867 -11.702 10.608 1.00 1.38 C ATOM 291 CG2 VAL A 22 1.822 -12.814 11.549 1.00 1.39 C ATOM 0 H VAL A 22 -0.182 -11.379 10.349 1.00 0.41 H new ATOM 0 HA VAL A 22 2.280 -10.490 9.114 1.00 0.43 H new ATOM 0 HB VAL A 22 2.632 -13.198 9.621 1.00 0.49 H new ATOM 0 HG11 VAL A 22 4.418 -12.389 11.250 1.00 1.38 H new ATOM 0 HG12 VAL A 22 4.437 -11.521 9.697 1.00 1.38 H new ATOM 0 HG13 VAL A 22 3.713 -10.759 11.133 1.00 1.38 H new ATOM 0 HG21 VAL A 22 2.510 -13.455 12.100 1.00 1.39 H new ATOM 0 HG22 VAL A 22 1.549 -11.959 12.167 1.00 1.39 H new ATOM 0 HG23 VAL A 22 0.925 -13.378 11.294 1.00 1.39 H new ATOM 301 N ASP A 23 1.866 -11.679 6.934 1.00 0.41 N ATOM 302 CA ASP A 23 1.732 -12.246 5.565 1.00 0.44 C ATOM 303 C ASP A 23 2.584 -13.550 5.403 1.00 0.43 C ATOM 304 O ASP A 23 3.585 -13.717 6.107 1.00 0.41 O ATOM 305 CB ASP A 23 2.182 -11.102 4.617 1.00 0.49 C ATOM 306 CG ASP A 23 2.063 -11.302 3.093 1.00 1.04 C ATOM 307 OD1 ASP A 23 2.633 -12.281 2.569 1.00 1.46 O ATOM 308 OD2 ASP A 23 1.424 -10.459 2.432 1.00 1.85 O ATOM 0 H ASP A 23 2.461 -10.850 6.954 1.00 0.41 H new ATOM 0 HA ASP A 23 0.713 -12.561 5.338 1.00 0.44 H new ATOM 0 HB2 ASP A 23 1.607 -10.214 4.878 1.00 0.49 H new ATOM 0 HB3 ASP A 23 3.226 -10.882 4.839 1.00 0.49 H new ATOM 313 N VAL A 24 2.158 -14.414 4.429 1.00 0.47 N ATOM 314 CA VAL A 24 2.771 -15.780 4.060 1.00 0.50 C ATOM 315 C VAL A 24 4.340 -15.918 3.977 1.00 0.47 C ATOM 316 O VAL A 24 4.856 -17.030 4.129 1.00 0.51 O ATOM 317 CB VAL A 24 2.142 -16.433 2.722 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.775 -17.093 2.978 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.990 -15.453 1.514 1.00 0.58 C ATOM 0 H VAL A 24 1.351 -14.192 3.845 1.00 0.47 H new ATOM 0 HA VAL A 24 2.481 -16.330 4.955 1.00 0.50 H new ATOM 0 HB VAL A 24 2.884 -17.183 2.447 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.396 -17.516 2.048 1.00 0.72 H new ATOM 0 HG12 VAL A 24 0.886 -17.885 3.718 1.00 0.72 H new ATOM 0 HG13 VAL A 24 0.074 -16.345 3.349 1.00 0.72 H new ATOM 0 HG21 VAL A 24 1.560 -15.985 0.666 1.00 0.58 H new ATOM 0 HG22 VAL A 24 1.335 -14.628 1.795 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.969 -15.061 1.238 1.00 0.58 H new ATOM 329 N HIS A 25 5.073 -14.812 3.743 1.00 0.42 N ATOM 330 CA HIS A 25 6.557 -14.836 3.720 1.00 0.40 C ATOM 331 C HIS A 25 7.139 -14.390 5.100 1.00 0.36 C ATOM 332 O HIS A 25 8.292 -14.679 5.421 1.00 0.39 O ATOM 333 CB HIS A 25 7.106 -13.930 2.600 1.00 0.38 C ATOM 334 CG HIS A 25 6.449 -14.126 1.258 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.733 -15.189 0.424 1.00 0.45 N ATOM 336 CD2 HIS A 25 5.512 -13.388 0.612 1.00 0.48 C ATOM 337 CE1 HIS A 25 6.002 -15.093 -0.674 1.00 0.49 C ATOM 338 NE2 HIS A 25 5.254 -14.011 -0.584 1.00 0.51 N ATOM 0 H HIS A 25 4.668 -13.892 3.567 1.00 0.42 H new ATOM 0 HA HIS A 25 6.870 -15.861 3.522 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.986 -12.889 2.901 1.00 0.38 H new ATOM 0 HB3 HIS A 25 8.176 -14.110 2.496 1.00 0.38 H new ATOM 0 HD2 HIS A 25 5.054 -12.479 0.972 1.00 0.48 H new ATOM 0 HE1 HIS A 25 6.016 -15.784 -1.504 1.00 0.49 H new ATOM 0 HE2 HIS A 25 4.591 -13.689 -1.289 1.00 0.51 H new ATOM 347 N GLY A 26 6.286 -13.692 5.894 1.00 0.34 N ATOM 348 CA GLY A 26 6.608 -13.210 7.229 1.00 0.32 C ATOM 349 C GLY A 26 6.664 -11.687 7.358 1.00 0.27 C ATOM 350 O GLY A 26 7.552 -11.153 8.026 1.00 0.26 O ATOM 0 H GLY A 26 5.339 -13.452 5.601 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.866 -13.594 7.929 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.572 -13.623 7.528 1.00 0.32 H new ATOM 354 N ILE A 27 5.691 -10.985 6.731 1.00 0.26 N ATOM 355 CA ILE A 27 5.632 -9.500 6.785 1.00 0.23 C ATOM 356 C ILE A 27 4.476 -9.043 7.744 1.00 0.26 C ATOM 357 O ILE A 27 3.307 -9.321 7.498 1.00 0.33 O ATOM 358 CB ILE A 27 5.525 -8.878 5.324 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.695 -9.386 4.450 1.00 0.18 C ATOM 360 CG2 ILE A 27 5.567 -7.321 5.287 1.00 0.26 C ATOM 361 CD1 ILE A 27 6.315 -9.979 3.121 1.00 0.55 C ATOM 0 H ILE A 27 4.943 -11.415 6.187 1.00 0.26 H new ATOM 0 HA ILE A 27 6.562 -9.115 7.203 1.00 0.23 H new ATOM 0 HB ILE A 27 4.553 -9.198 4.948 1.00 0.22 H new ATOM 0 HG12 ILE A 27 7.378 -8.555 4.273 1.00 0.18 H new ATOM 0 HG13 ILE A 27 7.246 -10.137 5.016 1.00 0.18 H new ATOM 0 HG21 ILE A 27 5.489 -6.979 4.255 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.735 -6.921 5.866 1.00 0.26 H new ATOM 0 HG23 ILE A 27 6.507 -6.972 5.714 1.00 0.26 H new ATOM 0 HD11 ILE A 27 7.214 -10.301 2.596 1.00 0.55 H new ATOM 0 HD12 ILE A 27 5.661 -10.836 3.279 1.00 0.55 H new ATOM 0 HD13 ILE A 27 5.794 -9.230 2.524 1.00 0.55 H new ATOM 373 N HIS A 28 4.837 -8.270 8.781 1.00 0.25 N ATOM 374 CA HIS A 28 3.874 -7.808 9.805 1.00 0.30 C ATOM 375 C HIS A 28 3.433 -6.330 9.645 1.00 0.28 C ATOM 376 O HIS A 28 4.268 -5.420 9.600 1.00 0.28 O ATOM 377 CB HIS A 28 4.526 -7.986 11.182 1.00 0.40 C ATOM 378 CG HIS A 28 3.581 -8.116 12.354 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.436 -9.285 13.067 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.748 -7.221 12.939 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.556 -9.110 14.029 1.00 1.30 C ATOM 382 NE2 HIS A 28 2.123 -7.864 13.980 1.00 1.34 N ATOM 0 H HIS A 28 5.792 -7.948 8.936 1.00 0.25 H new ATOM 0 HA HIS A 28 2.971 -8.407 9.688 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.157 -8.874 11.150 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.182 -7.135 11.363 1.00 0.40 H new ATOM 0 HD1 HIS A 28 3.935 -10.154 12.878 1.00 0.93 H new ATOM 0 HD2 HIS A 28 2.603 -6.193 12.642 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.241 -9.860 14.740 1.00 1.30 H new ATOM 391 N TYR A 29 2.092 -6.116 9.586 1.00 0.33 N ATOM 392 CA TYR A 29 1.500 -4.758 9.503 1.00 0.38 C ATOM 393 C TYR A 29 1.092 -4.222 10.901 1.00 0.45 C ATOM 394 O TYR A 29 0.738 -5.000 11.793 1.00 0.46 O ATOM 395 CB TYR A 29 0.327 -4.761 8.465 1.00 0.45 C ATOM 396 CG TYR A 29 -1.148 -4.725 8.957 1.00 0.98 C ATOM 397 CD1 TYR A 29 -1.588 -3.657 9.692 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.057 -5.768 8.756 1.00 1.34 C ATOM 399 CE1 TYR A 29 -2.861 -3.583 10.206 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.342 -5.709 9.277 1.00 1.91 C ATOM 401 CZ TYR A 29 -3.840 -4.720 9.671 1.00 2.21 C ATOM 402 OH TYR A 29 -4.968 -4.529 10.553 1.00 2.79 O ATOM 0 H TYR A 29 1.403 -6.868 9.595 1.00 0.33 H new ATOM 0 HA TYR A 29 2.252 -4.056 9.142 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.471 -3.901 7.811 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.441 -5.653 7.849 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -0.907 -2.839 9.876 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -1.754 -6.634 8.186 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -3.169 -2.823 10.909 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -3.916 -6.623 9.323 1.00 1.91 H new ATOM 0 HH TYR A 29 -5.693 -5.135 10.293 1.00 2.79 H new ATOM 412 N ARG A 30 1.094 -2.876 11.038 1.00 0.54 N ATOM 413 CA ARG A 30 0.772 -2.186 12.312 1.00 0.63 C ATOM 414 C ARG A 30 -0.678 -1.627 12.380 1.00 0.91 C ATOM 415 O ARG A 30 -1.264 -1.200 11.380 1.00 1.87 O ATOM 416 CB ARG A 30 1.778 -1.047 12.549 1.00 0.72 C ATOM 417 CG ARG A 30 3.259 -1.482 12.520 1.00 0.68 C ATOM 418 CD ARG A 30 4.225 -0.315 12.800 1.00 0.87 C ATOM 419 NE ARG A 30 4.076 0.211 14.157 1.00 1.70 N ATOM 420 CZ ARG A 30 4.856 1.159 14.668 1.00 2.08 C ATOM 421 NH1 ARG A 30 5.837 1.682 13.944 1.00 1.93 N ATOM 422 NH2 ARG A 30 4.654 1.586 15.908 1.00 3.00 N ATOM 0 H ARG A 30 1.318 -2.239 10.273 1.00 0.54 H new ATOM 0 HA ARG A 30 0.845 -2.940 13.096 1.00 0.63 H new ATOM 0 HB2 ARG A 30 1.623 -0.280 11.791 1.00 0.72 H new ATOM 0 HB3 ARG A 30 1.566 -0.588 13.515 1.00 0.72 H new ATOM 0 HG2 ARG A 30 3.418 -2.266 13.260 1.00 0.68 H new ATOM 0 HG3 ARG A 30 3.488 -1.913 11.545 1.00 0.68 H new ATOM 0 HD2 ARG A 30 5.251 -0.652 12.653 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.045 0.484 12.081 1.00 0.87 H new ATOM 0 HE ARG A 30 3.333 -0.170 14.743 1.00 1.70 H new ATOM 0 HH11 ARG A 30 5.996 1.357 12.990 1.00 1.93 H new ATOM 0 HH12 ARG A 30 6.432 2.409 14.341 1.00 1.93 H new ATOM 0 HH21 ARG A 30 3.901 1.187 16.468 1.00 3.00 H new ATOM 0 HH22 ARG A 30 5.252 2.313 16.301 1.00 3.00 H new ATOM 436 N LYS A 31 -1.201 -1.603 13.622 1.00 0.57 N ATOM 437 CA LYS A 31 -2.581 -1.174 13.983 1.00 0.59 C ATOM 438 C LYS A 31 -2.867 0.360 13.968 1.00 0.64 C ATOM 439 O LYS A 31 -2.479 1.088 14.888 1.00 0.79 O ATOM 440 CB LYS A 31 -2.886 -1.746 15.402 1.00 0.73 C ATOM 441 CG LYS A 31 -4.357 -1.597 15.911 1.00 1.15 C ATOM 442 CD LYS A 31 -4.626 -0.283 16.704 1.00 1.44 C ATOM 443 CE LYS A 31 -4.208 -0.368 18.183 1.00 1.70 C ATOM 444 NZ LYS A 31 -4.448 0.918 18.894 1.00 2.30 N ATOM 0 H LYS A 31 -0.659 -1.891 14.437 1.00 0.57 H new ATOM 0 HA LYS A 31 -3.232 -1.564 13.201 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -2.629 -2.805 15.406 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -2.226 -1.255 16.117 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -5.032 -1.637 15.056 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -4.598 -2.449 16.547 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -4.088 0.537 16.228 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -5.688 -0.043 16.647 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -4.765 -1.166 18.674 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -3.152 -0.630 18.249 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -4.155 0.825 19.888 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -3.897 1.674 18.440 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -5.460 1.154 18.852 1.00 2.30 H new ATOM 458 N ASP A 32 -3.554 0.807 12.876 1.00 0.61 N ATOM 459 CA ASP A 32 -4.080 2.219 12.634 1.00 0.72 C ATOM 460 C ASP A 32 -3.137 3.454 12.933 1.00 0.75 C ATOM 461 O ASP A 32 -3.588 4.429 13.540 1.00 1.00 O ATOM 462 CB ASP A 32 -5.399 2.400 13.435 1.00 0.86 C ATOM 463 CG ASP A 32 -6.619 1.743 12.790 1.00 0.95 C ATOM 464 OD1 ASP A 32 -6.454 0.684 12.148 1.00 1.01 O ATOM 465 OD2 ASP A 32 -7.733 2.294 12.922 1.00 1.17 O ATOM 0 H ASP A 32 -3.774 0.183 12.100 1.00 0.61 H new ATOM 0 HA ASP A 32 -4.195 2.254 11.551 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -5.264 1.987 14.434 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -5.595 3.466 13.555 1.00 0.86 H new ATOM 470 N PRO A 33 -1.839 3.454 12.510 1.00 0.59 N ATOM 471 CA PRO A 33 -0.913 4.583 12.763 1.00 0.66 C ATOM 472 C PRO A 33 -0.678 5.566 11.567 1.00 0.83 C ATOM 473 O PRO A 33 0.444 5.683 11.059 1.00 1.45 O ATOM 474 CB PRO A 33 0.366 3.809 13.088 1.00 0.59 C ATOM 475 CG PRO A 33 0.350 2.690 12.076 1.00 0.57 C ATOM 476 CD PRO A 33 -1.132 2.351 11.844 1.00 0.49 C ATOM 0 HA PRO A 33 -1.295 5.260 13.527 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.253 4.434 12.985 1.00 0.59 H new ATOM 0 HB3 PRO A 33 0.360 3.430 14.110 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.830 2.997 11.147 1.00 0.57 H new ATOM 0 HG3 PRO A 33 0.896 1.822 12.445 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.372 2.302 10.782 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -1.396 1.385 12.275 1.00 0.49 H new ATOM 715 N PRO A 49 -14.893 -10.141 0.483 1.00 0.82 N ATOM 716 CA PRO A 49 -13.437 -10.423 0.301 1.00 0.89 C ATOM 717 C PRO A 49 -12.784 -9.998 -1.034 1.00 0.75 C ATOM 718 O PRO A 49 -13.452 -9.553 -1.971 1.00 0.78 O ATOM 719 CB PRO A 49 -13.393 -11.957 0.433 1.00 1.31 C ATOM 720 CG PRO A 49 -14.690 -12.420 -0.167 1.00 1.37 C ATOM 721 CD PRO A 49 -15.714 -11.362 0.219 1.00 1.05 C ATOM 0 HA PRO A 49 -12.863 -9.839 1.021 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -12.538 -12.377 -0.096 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -13.305 -12.264 1.475 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.611 -12.513 -1.250 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -14.973 -13.400 0.218 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -16.434 -11.193 -0.582 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.282 -11.659 1.101 1.00 1.05 H new ATOM 729 N ILE A 50 -11.441 -10.164 -1.064 1.00 0.67 N ATOM 730 CA ILE A 50 -10.584 -9.867 -2.219 1.00 0.60 C ATOM 731 C ILE A 50 -10.307 -11.221 -2.993 1.00 0.64 C ATOM 732 O ILE A 50 -9.949 -12.242 -2.389 1.00 0.69 O ATOM 733 CB ILE A 50 -9.289 -8.990 -1.700 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.446 -7.480 -2.070 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.891 -9.426 -2.222 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.627 -6.745 -1.455 1.00 0.59 C ATOM 0 H ILE A 50 -10.918 -10.517 -0.263 1.00 0.67 H new ATOM 0 HA ILE A 50 -11.046 -9.225 -2.969 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.305 -9.176 -0.626 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.533 -6.961 -1.778 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.524 -7.402 -3.154 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -7.127 -8.769 -1.807 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.692 -10.453 -1.916 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.873 -9.362 -3.310 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.624 -5.707 -1.789 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.556 -7.224 -1.766 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.549 -6.776 -0.368 1.00 0.59 H new ATOM 748 N LEU A 51 -10.467 -11.180 -4.333 1.00 0.65 N ATOM 749 CA LEU A 51 -10.322 -12.375 -5.217 1.00 0.71 C ATOM 750 C LEU A 51 -8.886 -12.701 -5.725 1.00 0.78 C ATOM 751 O LEU A 51 -8.675 -13.782 -6.284 1.00 1.26 O ATOM 752 CB LEU A 51 -11.244 -12.198 -6.431 1.00 0.74 C ATOM 753 CG LEU A 51 -12.752 -12.516 -6.215 1.00 0.86 C ATOM 754 CD1 LEU A 51 -13.641 -11.567 -7.016 1.00 1.22 C ATOM 755 CD2 LEU A 51 -13.074 -13.962 -6.595 1.00 1.28 C ATOM 0 H LEU A 51 -10.699 -10.325 -4.839 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.591 -13.223 -4.587 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -11.159 -11.167 -6.775 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.874 -12.834 -7.235 1.00 0.74 H new ATOM 0 HG LEU A 51 -12.957 -12.377 -5.154 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.688 -11.816 -6.843 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.455 -10.541 -6.700 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -13.415 -11.666 -8.078 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -14.135 -14.153 -6.433 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -12.832 -14.125 -7.645 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -12.485 -14.640 -5.978 1.00 1.28 H new ATOM 767 N ARG A 52 -7.909 -11.789 -5.537 1.00 0.58 N ATOM 768 CA ARG A 52 -6.514 -12.040 -5.978 1.00 0.58 C ATOM 769 C ARG A 52 -5.528 -12.333 -4.797 1.00 0.57 C ATOM 770 O ARG A 52 -4.312 -12.170 -4.946 1.00 0.65 O ATOM 771 CB ARG A 52 -6.002 -10.840 -6.809 1.00 0.57 C ATOM 772 CG ARG A 52 -5.623 -11.151 -8.283 1.00 0.70 C ATOM 773 CD ARG A 52 -6.851 -11.376 -9.184 1.00 0.64 C ATOM 774 NE ARG A 52 -6.459 -11.677 -10.560 1.00 0.87 N ATOM 775 CZ ARG A 52 -7.317 -11.753 -11.573 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.613 -11.551 -11.369 1.00 1.34 N ATOM 777 NH2 ARG A 52 -6.879 -12.032 -12.793 1.00 1.51 N ATOM 0 H ARG A 52 -8.053 -10.884 -5.090 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.539 -12.942 -6.590 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -6.770 -10.067 -6.807 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -5.128 -10.423 -6.309 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -5.032 -10.327 -8.682 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -4.991 -12.039 -8.311 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.449 -12.196 -8.787 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.481 -10.487 -9.170 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.471 -11.838 -10.754 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -8.954 -11.336 -10.432 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -9.267 -11.610 -12.149 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -5.884 -12.188 -12.954 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -7.537 -12.090 -13.570 1.00 1.51 H new ATOM 791 N SER A 53 -6.068 -12.778 -3.640 1.00 0.53 N ATOM 792 CA SER A 53 -5.265 -13.124 -2.456 1.00 0.54 C ATOM 793 C SER A 53 -5.844 -14.379 -1.724 1.00 0.57 C ATOM 794 O SER A 53 -6.769 -15.044 -2.214 1.00 0.67 O ATOM 795 CB SER A 53 -5.199 -11.908 -1.496 1.00 0.53 C ATOM 796 OG SER A 53 -3.972 -11.889 -0.783 1.00 1.09 O ATOM 0 H SER A 53 -7.071 -12.906 -3.506 1.00 0.53 H new ATOM 0 HA SER A 53 -4.256 -13.375 -2.783 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.307 -10.985 -2.065 1.00 0.53 H new ATOM 0 HB3 SER A 53 -6.031 -11.949 -0.793 1.00 0.53 H new ATOM 0 HG SER A 53 -3.267 -11.519 -1.355 1.00 1.09 H new ATOM 802 N ASN A 54 -5.273 -14.698 -0.535 1.00 0.59 N ATOM 803 CA ASN A 54 -5.719 -15.853 0.328 1.00 0.64 C ATOM 804 C ASN A 54 -6.720 -15.334 1.427 1.00 0.63 C ATOM 805 O ASN A 54 -7.085 -14.164 1.382 1.00 0.66 O ATOM 806 CB ASN A 54 -4.529 -16.597 1.065 1.00 0.80 C ATOM 807 CG ASN A 54 -3.081 -16.300 0.640 1.00 0.85 C ATOM 808 OD1 ASN A 54 -2.208 -16.204 1.640 1.00 1.27 O flip ATOM 809 ND2 ASN A 54 -2.759 -16.177 -0.543 1.00 1.12 N flip ATOM 0 H ASN A 54 -4.494 -14.173 -0.138 1.00 0.59 H new ATOM 0 HA ASN A 54 -6.188 -16.568 -0.348 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -4.611 -16.374 2.129 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -4.691 -17.669 0.951 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -3.465 -16.259 -1.275 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -1.787 -15.993 -0.790 1.00 1.12 H new ATOM 816 N PRO A 55 -7.246 -16.176 2.414 1.00 0.71 N ATOM 817 CA PRO A 55 -8.135 -15.668 3.538 1.00 0.75 C ATOM 818 C PRO A 55 -7.369 -14.782 4.570 1.00 0.74 C ATOM 819 O PRO A 55 -7.840 -13.700 4.988 1.00 0.80 O ATOM 820 CB PRO A 55 -8.632 -16.963 4.220 1.00 0.89 C ATOM 821 CG PRO A 55 -8.435 -18.031 3.181 1.00 0.95 C ATOM 822 CD PRO A 55 -7.150 -17.656 2.471 1.00 0.83 C ATOM 0 HA PRO A 55 -8.931 -15.030 3.155 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -8.064 -17.179 5.125 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -9.679 -16.882 4.513 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -8.360 -19.017 3.639 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -9.274 -18.065 2.486 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -6.269 -17.986 3.021 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -7.089 -18.099 1.477 1.00 0.83 H new ATOM 830 N GLU A 56 -6.123 -15.235 4.880 1.00 0.71 N ATOM 831 CA GLU A 56 -5.157 -14.551 5.802 1.00 0.73 C ATOM 832 C GLU A 56 -4.636 -13.203 5.204 1.00 0.65 C ATOM 833 O GLU A 56 -4.745 -12.109 5.813 1.00 0.67 O ATOM 834 CB GLU A 56 -3.962 -15.516 6.110 1.00 0.80 C ATOM 835 CG GLU A 56 -3.357 -16.252 4.910 1.00 0.97 C ATOM 836 CD GLU A 56 -2.259 -17.210 5.329 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.189 -16.733 5.766 1.00 1.63 O ATOM 838 OE2 GLU A 56 -2.467 -18.435 5.219 1.00 2.04 O ATOM 0 H GLU A 56 -5.750 -16.101 4.492 1.00 0.71 H new ATOM 0 HA GLU A 56 -5.680 -14.308 6.727 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -3.172 -14.940 6.591 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -4.300 -16.259 6.832 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.140 -16.803 4.390 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -2.955 -15.526 4.204 1.00 0.97 H new ATOM 845 N ASP A 57 -4.186 -13.282 3.935 1.00 0.62 N ATOM 846 CA ASP A 57 -3.706 -12.117 3.175 1.00 0.58 C ATOM 847 C ASP A 57 -4.878 -11.258 2.570 1.00 0.52 C ATOM 848 O ASP A 57 -4.649 -10.196 1.990 1.00 0.53 O ATOM 849 CB ASP A 57 -2.757 -12.588 2.101 1.00 0.60 C ATOM 850 CG ASP A 57 -1.324 -12.203 2.376 1.00 1.08 C ATOM 851 OD1 ASP A 57 -0.972 -11.027 2.151 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.553 -13.080 2.812 1.00 1.62 O ATOM 0 H ASP A 57 -4.146 -14.156 3.411 1.00 0.62 H new ATOM 0 HA ASP A 57 -3.182 -11.454 3.863 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -2.826 -13.672 2.011 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -3.063 -12.169 1.143 1.00 0.60 H new ATOM 857 N GLN A 58 -6.149 -11.752 2.769 1.00 0.52 N ATOM 858 CA GLN A 58 -7.418 -11.052 2.419 1.00 0.51 C ATOM 859 C GLN A 58 -7.614 -9.910 3.444 1.00 0.50 C ATOM 860 O GLN A 58 -7.917 -8.793 3.080 1.00 0.49 O ATOM 861 CB GLN A 58 -8.605 -12.041 2.501 1.00 0.60 C ATOM 862 CG GLN A 58 -10.000 -11.458 2.215 1.00 0.84 C ATOM 863 CD GLN A 58 -11.061 -12.100 3.089 1.00 0.91 C ATOM 864 OE1 GLN A 58 -11.622 -13.139 2.743 1.00 1.16 O ATOM 865 NE2 GLN A 58 -11.340 -11.483 4.232 1.00 1.77 N ATOM 0 H GLN A 58 -6.311 -12.668 3.187 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.372 -10.656 1.404 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -8.423 -12.853 1.797 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.616 -12.480 3.498 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -9.988 -10.382 2.387 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -10.251 -11.610 1.165 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -10.851 -10.623 4.480 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -12.044 -11.869 4.862 1.00 1.77 H new ATOM 874 N VAL A 59 -7.333 -10.234 4.747 1.00 0.52 N ATOM 875 CA VAL A 59 -7.330 -9.237 5.893 1.00 0.54 C ATOM 876 C VAL A 59 -6.198 -8.160 5.657 1.00 0.52 C ATOM 877 O VAL A 59 -6.431 -6.985 5.910 1.00 0.55 O ATOM 878 CB VAL A 59 -7.178 -9.924 7.348 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.319 -8.949 8.554 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.224 -11.008 7.578 1.00 0.81 C ATOM 0 H VAL A 59 -7.103 -11.183 5.040 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.307 -8.754 5.897 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.163 -10.320 7.319 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.202 -9.503 9.485 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.550 -8.179 8.491 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.304 -8.482 8.531 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.085 -11.443 8.568 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.221 -10.572 7.510 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.115 -11.785 6.821 1.00 0.81 H new ATOM 890 N LEU A 60 -4.984 -8.571 5.161 1.00 0.49 N ATOM 891 CA LEU A 60 -3.920 -7.574 4.815 1.00 0.48 C ATOM 892 C LEU A 60 -4.188 -6.775 3.470 1.00 0.49 C ATOM 893 O LEU A 60 -3.580 -5.747 3.239 1.00 0.65 O ATOM 894 CB LEU A 60 -2.571 -8.321 4.664 1.00 0.52 C ATOM 895 CG LEU A 60 -1.208 -7.676 5.160 1.00 0.71 C ATOM 896 CD1 LEU A 60 -0.063 -8.074 4.263 1.00 1.15 C ATOM 897 CD2 LEU A 60 -1.198 -6.176 5.239 1.00 0.90 C ATOM 0 H LEU A 60 -4.728 -9.545 4.998 1.00 0.49 H new ATOM 0 HA LEU A 60 -3.911 -6.844 5.624 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.677 -9.275 5.181 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.449 -8.544 3.604 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.098 -8.065 6.172 1.00 0.71 H new ATOM 0 HD11 LEU A 60 0.859 -7.618 4.625 1.00 1.15 H new ATOM 0 HD12 LEU A 60 0.042 -9.159 4.267 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.261 -7.733 3.247 1.00 1.15 H new ATOM 0 HD21 LEU A 60 -0.223 -5.837 5.588 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -1.396 -5.758 4.252 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -1.968 -5.843 5.935 1.00 0.90 H new ATOM 909 N TYR A 61 -5.077 -7.264 2.612 1.00 0.44 N ATOM 910 CA TYR A 61 -5.403 -6.602 1.316 1.00 0.45 C ATOM 911 C TYR A 61 -6.926 -6.265 1.125 1.00 0.47 C ATOM 912 O TYR A 61 -7.386 -6.102 -0.010 1.00 0.52 O ATOM 913 CB TYR A 61 -4.890 -7.455 0.132 1.00 0.44 C ATOM 914 CG TYR A 61 -3.373 -7.807 0.116 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.387 -6.884 0.471 1.00 0.70 C ATOM 916 CD2 TYR A 61 -2.932 -9.078 -0.261 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.039 -7.212 0.451 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.586 -9.408 -0.280 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.648 -8.473 0.077 1.00 0.72 C ATOM 920 OH TYR A 61 0.688 -8.800 0.057 1.00 0.88 O ATOM 0 H TYR A 61 -5.599 -8.125 2.777 1.00 0.44 H new ATOM 0 HA TYR A 61 -4.888 -5.642 1.338 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.454 -8.388 0.118 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.124 -6.927 -0.792 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.682 -5.889 0.769 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.660 -9.824 -0.545 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.299 -6.476 0.729 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.276 -10.400 -0.575 1.00 0.92 H new ATOM 0 HH TYR A 61 0.904 -9.342 0.845 1.00 0.88 H new ATOM 930 N GLN A 62 -7.685 -6.147 2.237 1.00 0.50 N ATOM 931 CA GLN A 62 -9.168 -5.864 2.202 1.00 0.57 C ATOM 932 C GLN A 62 -9.660 -4.834 3.253 1.00 0.70 C ATOM 933 O GLN A 62 -10.582 -4.067 2.972 1.00 1.33 O ATOM 934 CB GLN A 62 -9.962 -7.188 2.418 1.00 0.57 C ATOM 935 CG GLN A 62 -11.512 -7.090 2.390 1.00 0.75 C ATOM 936 CD GLN A 62 -12.142 -7.539 3.700 1.00 0.77 C ATOM 937 OE1 GLN A 62 -12.305 -8.847 3.863 1.00 1.26 O flip ATOM 938 NE2 GLN A 62 -12.457 -6.721 4.563 1.00 1.02 N flip ATOM 0 H GLN A 62 -7.309 -6.241 3.181 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.350 -5.428 1.220 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.653 -7.898 1.651 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.666 -7.608 3.379 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.805 -6.061 2.182 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.898 -7.702 1.575 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -12.315 -5.725 4.397 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -12.860 -7.039 5.444 1.00 1.02 H new ATOM 947 N THR A 63 -9.064 -4.852 4.463 1.00 0.58 N ATOM 948 CA THR A 63 -9.459 -3.958 5.635 1.00 0.62 C ATOM 949 C THR A 63 -9.202 -2.416 5.423 1.00 0.76 C ATOM 950 O THR A 63 -8.085 -2.002 5.101 1.00 1.28 O ATOM 951 CB THR A 63 -8.774 -4.429 6.987 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.361 -4.586 6.840 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.368 -5.745 7.537 1.00 0.60 C ATOM 0 H THR A 63 -8.290 -5.479 4.683 1.00 0.58 H new ATOM 0 HA THR A 63 -10.540 -4.078 5.699 1.00 0.62 H new ATOM 0 HB THR A 63 -8.980 -3.634 7.703 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.156 -5.520 6.626 1.00 0.63 H new ATOM 0 HG21 THR A 63 -8.859 -6.015 8.462 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.431 -5.610 7.734 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.233 -6.540 6.803 1.00 0.60 H new ATOM 961 N GLU A 64 -10.274 -1.603 5.625 1.00 0.57 N ATOM 962 CA GLU A 64 -10.237 -0.113 5.443 1.00 0.60 C ATOM 963 C GLU A 64 -10.543 0.674 6.740 1.00 0.64 C ATOM 964 O GLU A 64 -11.309 0.232 7.598 1.00 0.69 O ATOM 965 CB GLU A 64 -11.263 0.366 4.371 1.00 0.67 C ATOM 966 CG GLU A 64 -12.432 -0.601 4.061 1.00 0.84 C ATOM 967 CD GLU A 64 -13.626 -0.413 4.984 1.00 1.07 C ATOM 968 OE1 GLU A 64 -14.483 0.442 4.679 1.00 1.53 O ATOM 969 OE2 GLU A 64 -13.702 -1.123 6.010 1.00 1.50 O ATOM 0 H GLU A 64 -11.187 -1.953 5.917 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.214 0.092 5.127 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.683 1.316 4.700 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.724 0.560 3.444 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.752 -0.455 3.029 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -12.077 -1.628 4.142 1.00 0.84 H new ATOM 1050 N ASP A 69 -9.573 14.034 4.598 1.00 0.76 N ATOM 1051 CA ASP A 69 -8.708 15.038 3.914 1.00 0.75 C ATOM 1052 C ASP A 69 -7.286 14.499 3.569 1.00 0.69 C ATOM 1053 O ASP A 69 -7.065 13.290 3.532 1.00 1.33 O ATOM 1054 CB ASP A 69 -8.610 16.285 4.819 1.00 1.17 C ATOM 1055 CG ASP A 69 -9.406 17.474 4.293 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -10.653 17.413 4.317 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -8.778 18.460 3.852 1.00 2.15 O ATOM 0 HA ASP A 69 -9.168 15.283 2.957 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -8.967 16.030 5.817 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -7.563 16.572 4.918 1.00 1.17 H new ATOM 1062 N SER A 70 -6.320 15.430 3.276 1.00 0.72 N ATOM 1063 CA SER A 70 -4.886 15.102 2.952 1.00 0.57 C ATOM 1064 C SER A 70 -4.126 14.518 4.169 1.00 0.53 C ATOM 1065 O SER A 70 -3.837 15.220 5.145 1.00 0.57 O ATOM 1066 CB SER A 70 -4.176 16.369 2.446 1.00 0.70 C ATOM 1067 OG SER A 70 -3.157 16.061 1.503 1.00 0.77 O ATOM 0 H SER A 70 -6.514 16.431 3.258 1.00 0.72 H new ATOM 0 HA SER A 70 -4.886 14.335 2.177 1.00 0.57 H new ATOM 0 HB2 SER A 70 -4.906 17.037 1.988 1.00 0.70 H new ATOM 0 HB3 SER A 70 -3.741 16.904 3.290 1.00 0.70 H new ATOM 0 HG SER A 70 -2.729 16.889 1.202 1.00 0.77 H new ATOM 1073 N PHE A 71 -3.821 13.219 4.068 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.161 12.482 5.165 1.00 0.47 C ATOM 1075 C PHE A 71 -2.192 11.396 4.667 1.00 0.33 C ATOM 1076 O PHE A 71 -2.296 10.903 3.530 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.222 11.870 6.142 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.508 11.320 5.513 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -5.459 10.542 4.350 1.00 0.73 C ATOM 1080 CD2 PHE A 71 -6.759 11.574 6.078 1.00 0.75 C ATOM 1081 CE1 PHE A 71 -6.615 10.038 3.786 1.00 0.78 C ATOM 1082 CE2 PHE A 71 -7.914 11.068 5.506 1.00 0.81 C ATOM 1083 CZ PHE A 71 -7.857 10.337 4.371 1.00 0.67 C ATOM 0 H PHE A 71 -4.018 12.653 3.242 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.558 13.212 5.705 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.745 11.064 6.699 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.499 12.637 6.865 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -4.505 10.333 3.888 1.00 0.73 H new ATOM 0 HD2 PHE A 71 -6.827 12.174 6.974 1.00 0.75 H new ATOM 0 HE1 PHE A 71 -6.564 9.419 2.902 1.00 0.78 H new ATOM 0 HE2 PHE A 71 -8.870 11.259 5.971 1.00 0.81 H new ATOM 0 HZ PHE A 71 -8.768 9.982 3.913 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.241 11.035 5.542 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.267 10.012 5.199 1.00 0.41 C ATOM 1095 C GLY A 72 0.604 9.514 6.349 1.00 0.33 C ATOM 1096 O GLY A 72 0.443 9.904 7.514 1.00 0.47 O ATOM 0 H GLY A 72 -1.134 11.434 6.475 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.797 9.160 4.774 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.384 10.404 4.418 1.00 0.41 H new ATOM 1100 N TYR A 73 1.543 8.630 5.984 1.00 0.28 N ATOM 1101 CA TYR A 73 2.465 7.988 6.947 1.00 0.24 C ATOM 1102 C TYR A 73 3.933 8.483 6.855 1.00 0.21 C ATOM 1103 O TYR A 73 4.330 9.199 5.917 1.00 0.27 O ATOM 1104 CB TYR A 73 2.511 6.455 6.763 1.00 0.36 C ATOM 1105 CG TYR A 73 1.241 5.744 6.263 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.827 5.876 4.940 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.494 4.892 7.089 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.279 5.207 4.464 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.611 4.213 6.598 1.00 0.62 C ATOM 1110 CZ TYR A 73 -0.989 4.378 5.291 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.083 3.704 4.803 1.00 0.89 O ATOM 0 H TYR A 73 1.689 8.337 5.018 1.00 0.28 H new ATOM 0 HA TYR A 73 2.053 8.268 7.916 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.317 6.228 6.065 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.785 6.013 7.721 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.385 6.516 4.273 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.783 4.763 8.122 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.587 5.336 3.437 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.173 3.555 7.245 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.028 3.655 3.826 1.00 0.89 H new ATOM 1121 N ASP A 74 4.737 8.017 7.842 1.00 0.17 N ATOM 1122 CA ASP A 74 6.173 8.358 7.976 1.00 0.16 C ATOM 1123 C ASP A 74 7.068 7.088 8.062 1.00 0.15 C ATOM 1124 O ASP A 74 6.806 6.183 8.863 1.00 0.24 O ATOM 1125 CB ASP A 74 6.393 9.204 9.252 1.00 0.21 C ATOM 1126 CG ASP A 74 6.130 10.699 9.071 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.202 11.050 8.313 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.852 11.510 9.687 1.00 0.40 O ATOM 0 H ASP A 74 4.403 7.389 8.573 1.00 0.17 H new ATOM 0 HA ASP A 74 6.456 8.920 7.086 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.743 8.826 10.041 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.419 9.066 9.592 1.00 0.21 H new ATOM 1133 N ILE A 75 8.136 7.051 7.234 1.00 0.10 N ATOM 1134 CA ILE A 75 9.107 5.926 7.205 1.00 0.09 C ATOM 1135 C ILE A 75 10.551 6.479 7.457 1.00 0.08 C ATOM 1136 O ILE A 75 11.160 7.009 6.532 1.00 0.12 O ATOM 1137 CB ILE A 75 9.079 5.114 5.822 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.655 4.727 5.388 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.880 3.784 5.864 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.075 5.553 4.268 1.00 0.15 C ATOM 0 H ILE A 75 8.351 7.794 6.569 1.00 0.10 H new ATOM 0 HA ILE A 75 8.817 5.229 7.992 1.00 0.09 H new ATOM 0 HB ILE A 75 9.534 5.811 5.118 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.658 3.681 5.082 1.00 0.13 H new ATOM 0 HG13 ILE A 75 6.996 4.804 6.253 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.816 3.290 4.895 1.00 0.14 H new ATOM 0 HG22 ILE A 75 10.924 3.995 6.095 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.463 3.132 6.632 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.070 5.200 4.038 1.00 0.15 H new ATOM 0 HD12 ILE A 75 7.032 6.599 4.572 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.704 5.458 3.383 1.00 0.15 H new ATOM 1152 N PRO A 76 11.115 6.385 8.705 1.00 0.09 N ATOM 1153 CA PRO A 76 12.495 6.847 8.981 1.00 0.10 C ATOM 1154 C PRO A 76 13.609 5.807 8.645 1.00 0.09 C ATOM 1155 O PRO A 76 13.613 4.692 9.174 1.00 0.11 O ATOM 1156 CB PRO A 76 12.442 7.170 10.475 1.00 0.14 C ATOM 1157 CG PRO A 76 11.483 6.151 11.044 1.00 0.15 C ATOM 1158 CD PRO A 76 10.462 5.876 9.941 1.00 0.12 C ATOM 0 HA PRO A 76 12.773 7.690 8.349 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.427 7.089 10.935 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.091 8.187 10.650 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.006 5.238 11.328 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.996 6.532 11.942 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.236 4.812 9.863 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.520 6.389 10.134 1.00 0.12 H new ATOM 1166 N ILE A 77 14.538 6.206 7.753 1.00 0.09 N ATOM 1167 CA ILE A 77 15.659 5.337 7.303 1.00 0.10 C ATOM 1168 C ILE A 77 17.046 6.041 7.502 1.00 0.13 C ATOM 1169 O ILE A 77 17.148 7.270 7.618 1.00 0.19 O ATOM 1170 CB ILE A 77 15.493 4.895 5.779 1.00 0.12 C ATOM 1171 CG1 ILE A 77 14.005 4.796 5.358 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.150 3.500 5.470 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.483 5.850 4.408 1.00 0.19 C ATOM 0 H ILE A 77 14.538 7.131 7.324 1.00 0.09 H new ATOM 0 HA ILE A 77 15.627 4.443 7.925 1.00 0.10 H new ATOM 0 HB ILE A 77 16.001 5.676 5.214 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.848 3.820 4.899 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.396 4.824 6.261 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.004 3.254 4.418 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.217 3.544 5.688 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.685 2.733 6.090 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.430 5.661 4.198 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.591 6.835 4.862 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.051 5.815 3.478 1.00 0.19 H new ATOM 1185 N LYS A 78 18.100 5.207 7.518 1.00 0.15 N ATOM 1186 CA LYS A 78 19.502 5.646 7.673 1.00 0.20 C ATOM 1187 C LYS A 78 20.491 4.740 6.876 1.00 0.21 C ATOM 1188 O LYS A 78 21.700 4.773 7.137 1.00 0.25 O ATOM 1189 CB LYS A 78 19.916 5.643 9.167 1.00 0.27 C ATOM 1190 CG LYS A 78 19.329 6.796 10.021 1.00 0.87 C ATOM 1191 CD LYS A 78 20.000 6.935 11.415 1.00 1.32 C ATOM 1192 CE LYS A 78 19.837 5.691 12.307 1.00 1.91 C ATOM 1193 NZ LYS A 78 20.274 5.962 13.705 1.00 2.53 N ATOM 0 H LYS A 78 18.003 4.196 7.423 1.00 0.15 H new ATOM 0 HA LYS A 78 19.557 6.658 7.273 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.611 4.694 9.609 1.00 0.27 H new ATOM 0 HB3 LYS A 78 21.004 5.687 9.225 1.00 0.27 H new ATOM 0 HG2 LYS A 78 19.441 7.734 9.477 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.260 6.631 10.155 1.00 0.87 H new ATOM 0 HD2 LYS A 78 21.062 7.137 11.279 1.00 1.32 H new ATOM 0 HD3 LYS A 78 19.575 7.798 11.928 1.00 1.32 H new ATOM 0 HE2 LYS A 78 18.794 5.375 12.305 1.00 1.91 H new ATOM 0 HE3 LYS A 78 20.420 4.867 11.895 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 20.151 5.104 14.280 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 21.276 6.240 13.708 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 19.700 6.731 14.105 1.00 2.53 H new ATOM 1207 N GLU A 79 19.983 3.944 5.894 1.00 0.19 N ATOM 1208 CA GLU A 79 20.822 3.044 5.087 1.00 0.22 C ATOM 1209 C GLU A 79 20.616 3.282 3.576 1.00 0.20 C ATOM 1210 O GLU A 79 19.596 3.841 3.145 1.00 0.18 O ATOM 1211 CB GLU A 79 20.496 1.580 5.435 1.00 0.24 C ATOM 1212 CG GLU A 79 21.021 1.109 6.801 1.00 0.55 C ATOM 1213 CD GLU A 79 20.599 -0.312 7.126 1.00 1.17 C ATOM 1214 OE1 GLU A 79 21.319 -1.253 6.731 1.00 1.03 O ATOM 1215 OE2 GLU A 79 19.544 -0.484 7.775 1.00 2.12 O ATOM 0 H GLU A 79 18.993 3.915 5.650 1.00 0.19 H new ATOM 0 HA GLU A 79 21.866 3.255 5.320 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.414 1.448 5.412 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.912 0.936 4.660 1.00 0.24 H new ATOM 0 HG2 GLU A 79 22.109 1.173 6.810 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.656 1.780 7.578 1.00 0.55 H new ATOM 1222 N GLU A 80 21.591 2.833 2.770 1.00 0.26 N ATOM 1223 CA GLU A 80 21.537 3.015 1.313 1.00 0.25 C ATOM 1224 C GLU A 80 21.580 1.695 0.522 1.00 0.27 C ATOM 1225 O GLU A 80 22.264 0.731 0.889 1.00 0.32 O ATOM 1226 CB GLU A 80 22.694 3.920 0.857 1.00 0.27 C ATOM 1227 CG GLU A 80 22.607 5.393 1.311 1.00 0.28 C ATOM 1228 CD GLU A 80 23.732 5.769 2.259 1.00 0.36 C ATOM 1229 OE1 GLU A 80 23.574 5.561 3.481 1.00 0.42 O ATOM 1230 OE2 GLU A 80 24.770 6.272 1.779 1.00 0.40 O ATOM 0 H GLU A 80 22.422 2.344 3.102 1.00 0.26 H new ATOM 0 HA GLU A 80 20.574 3.478 1.099 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.629 3.499 1.227 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.743 3.896 -0.232 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.638 6.043 0.437 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.649 5.564 1.801 1.00 0.28 H new ATOM 1237 N GLY A 81 20.836 1.703 -0.588 1.00 0.22 N ATOM 1238 CA GLY A 81 20.744 0.553 -1.489 1.00 0.23 C ATOM 1239 C GLY A 81 19.521 0.635 -2.398 1.00 0.19 C ATOM 1240 O GLY A 81 19.269 1.696 -2.988 1.00 0.18 O ATOM 0 H GLY A 81 20.282 2.506 -0.886 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.646 0.497 -2.099 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.699 -0.364 -0.902 1.00 0.23 H new ATOM 1244 N GLU A 82 18.753 -0.475 -2.554 1.00 0.20 N ATOM 1245 CA GLU A 82 17.542 -0.415 -3.388 1.00 0.17 C ATOM 1246 C GLU A 82 16.285 -0.739 -2.565 1.00 0.18 C ATOM 1247 O GLU A 82 16.024 -1.885 -2.223 1.00 0.30 O ATOM 1248 CB GLU A 82 17.657 -1.359 -4.600 1.00 0.19 C ATOM 1249 CG GLU A 82 18.682 -0.945 -5.670 1.00 0.26 C ATOM 1250 CD GLU A 82 18.398 -1.580 -7.019 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.401 -1.189 -7.661 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.173 -2.468 -7.434 1.00 1.75 O ATOM 0 H GLU A 82 18.946 -1.382 -2.130 1.00 0.20 H new ATOM 0 HA GLU A 82 17.448 0.605 -3.760 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.917 -2.354 -4.239 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.677 -1.437 -5.072 1.00 0.19 H new ATOM 0 HG2 GLU A 82 18.677 0.140 -5.774 1.00 0.26 H new ATOM 0 HG3 GLU A 82 19.682 -1.229 -5.341 1.00 0.26 H new ATOM 1259 N TYR A 83 15.480 0.298 -2.277 1.00 0.08 N ATOM 1260 CA TYR A 83 14.248 0.138 -1.480 1.00 0.08 C ATOM 1261 C TYR A 83 13.019 0.116 -2.383 1.00 0.08 C ATOM 1262 O TYR A 83 12.830 0.992 -3.212 1.00 0.12 O ATOM 1263 CB TYR A 83 14.107 1.247 -0.428 1.00 0.10 C ATOM 1264 CG TYR A 83 15.157 1.189 0.684 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.474 1.596 0.468 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.827 0.729 1.957 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.409 1.542 1.477 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.759 0.676 2.967 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.083 1.082 2.690 1.00 0.16 C ATOM 1270 OH TYR A 83 17.983 1.044 3.722 1.00 0.21 O ATOM 0 H TYR A 83 15.658 1.255 -2.583 1.00 0.08 H new ATOM 0 HA TYR A 83 14.322 -0.816 -0.958 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.172 2.215 -0.925 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.115 1.185 0.020 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.765 1.959 -0.507 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.816 0.406 2.155 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.419 1.875 1.287 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.484 0.331 3.953 1.00 0.19 H new ATOM 0 HH TYR A 83 17.550 0.677 4.521 1.00 0.21 H new ATOM 1280 N VAL A 84 12.182 -0.903 -2.202 1.00 0.08 N ATOM 1281 CA VAL A 84 10.982 -1.085 -3.059 1.00 0.10 C ATOM 1282 C VAL A 84 9.687 -0.872 -2.234 1.00 0.10 C ATOM 1283 O VAL A 84 9.467 -1.513 -1.195 1.00 0.10 O ATOM 1284 CB VAL A 84 10.947 -2.507 -3.841 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.011 -2.503 -5.084 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.334 -2.983 -4.336 1.00 0.20 C ATOM 0 H VAL A 84 12.298 -1.616 -1.481 1.00 0.08 H new ATOM 0 HA VAL A 84 11.043 -0.322 -3.835 1.00 0.10 H new ATOM 0 HB VAL A 84 10.569 -3.190 -3.080 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.034 -3.483 -5.560 1.00 0.13 H new ATOM 0 HG12 VAL A 84 8.992 -2.276 -4.771 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.350 -1.747 -5.793 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.229 -3.939 -4.848 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.747 -2.246 -5.025 1.00 0.20 H new ATOM 0 HG23 VAL A 84 13.004 -3.099 -3.484 1.00 0.20 H new ATOM 1296 N LEU A 85 8.838 0.045 -2.748 1.00 0.12 N ATOM 1297 CA LEU A 85 7.548 0.362 -2.131 1.00 0.15 C ATOM 1298 C LEU A 85 6.411 -0.366 -2.894 1.00 0.16 C ATOM 1299 O LEU A 85 6.063 0.001 -4.027 1.00 0.21 O ATOM 1300 CB LEU A 85 7.312 1.896 -2.155 1.00 0.25 C ATOM 1301 CG LEU A 85 6.361 2.503 -1.068 1.00 0.43 C ATOM 1302 CD1 LEU A 85 6.922 3.797 -0.490 1.00 0.78 C ATOM 1303 CD2 LEU A 85 4.964 2.777 -1.623 1.00 0.61 C ATOM 0 H LEU A 85 9.033 0.578 -3.596 1.00 0.12 H new ATOM 0 HA LEU A 85 7.553 0.025 -1.095 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.281 2.386 -2.064 1.00 0.25 H new ATOM 0 HB3 LEU A 85 6.913 2.159 -3.135 1.00 0.25 H new ATOM 0 HG LEU A 85 6.290 1.756 -0.278 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.235 4.188 0.260 1.00 0.78 H new ATOM 0 HD12 LEU A 85 7.890 3.600 -0.028 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.043 4.530 -1.288 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.336 3.197 -0.837 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.033 3.484 -2.449 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.525 1.845 -1.979 1.00 0.61 H new ATOM 1315 N VAL A 86 5.875 -1.425 -2.265 1.00 0.17 N ATOM 1316 CA VAL A 86 4.769 -2.245 -2.845 1.00 0.21 C ATOM 1317 C VAL A 86 3.511 -2.056 -1.953 1.00 0.21 C ATOM 1318 O VAL A 86 3.544 -2.321 -0.745 1.00 0.27 O ATOM 1319 CB VAL A 86 5.091 -3.824 -3.001 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.196 -4.521 -4.065 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.567 -4.152 -3.353 1.00 0.32 C ATOM 0 H VAL A 86 6.185 -1.745 -1.347 1.00 0.17 H new ATOM 0 HA VAL A 86 4.617 -1.887 -3.863 1.00 0.21 H new ATOM 0 HB VAL A 86 4.875 -4.210 -2.005 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.458 -5.577 -4.125 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.148 -4.422 -3.780 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.354 -4.052 -5.036 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.690 -5.232 -3.438 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.828 -3.682 -4.301 1.00 0.32 H new ATOM 0 HG23 VAL A 86 7.221 -3.773 -2.568 1.00 0.32 H new ATOM 1331 N LEU A 87 2.411 -1.611 -2.569 1.00 0.20 N ATOM 1332 CA LEU A 87 1.165 -1.381 -1.818 1.00 0.22 C ATOM 1333 C LEU A 87 -0.088 -1.863 -2.571 1.00 0.22 C ATOM 1334 O LEU A 87 -0.204 -1.694 -3.799 1.00 0.26 O ATOM 1335 CB LEU A 87 1.060 0.126 -1.386 1.00 0.31 C ATOM 1336 CG LEU A 87 0.551 1.201 -2.407 1.00 0.50 C ATOM 1337 CD1 LEU A 87 0.315 2.527 -1.684 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.521 1.455 -3.567 1.00 0.88 C ATOM 0 H LEU A 87 2.353 -1.405 -3.566 1.00 0.20 H new ATOM 0 HA LEU A 87 1.208 -1.991 -0.916 1.00 0.22 H new ATOM 0 HB2 LEU A 87 0.404 0.169 -0.516 1.00 0.31 H new ATOM 0 HB3 LEU A 87 2.050 0.438 -1.054 1.00 0.31 H new ATOM 0 HG LEU A 87 -0.371 0.802 -2.829 1.00 0.50 H new ATOM 0 HD11 LEU A 87 -0.039 3.272 -2.397 1.00 1.25 H new ATOM 0 HD12 LEU A 87 -0.433 2.388 -0.903 1.00 1.25 H new ATOM 0 HD13 LEU A 87 1.248 2.868 -1.236 1.00 1.25 H new ATOM 0 HD21 LEU A 87 1.102 2.210 -4.233 1.00 0.88 H new ATOM 0 HD22 LEU A 87 2.475 1.807 -3.173 1.00 0.88 H new ATOM 0 HD23 LEU A 87 1.676 0.529 -4.121 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.037 -2.468 -1.810 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.306 -2.963 -2.404 1.00 0.26 C ATOM 1352 C LYS A 88 -3.475 -2.002 -2.135 1.00 0.27 C ATOM 1353 O LYS A 88 -3.840 -1.732 -0.992 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.681 -4.394 -1.906 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.447 -5.263 -2.931 1.00 0.46 C ATOM 1356 CD LYS A 88 -2.512 -5.989 -3.934 1.00 1.53 C ATOM 1357 CE LYS A 88 -2.054 -7.374 -3.447 1.00 2.13 C ATOM 1358 NZ LYS A 88 -1.124 -8.015 -4.416 1.00 2.52 N ATOM 0 H LYS A 88 -0.951 -2.622 -0.805 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.129 -3.013 -3.478 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.767 -4.915 -1.622 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.288 -4.301 -1.005 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -4.042 -6.004 -2.397 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -4.144 -4.633 -3.484 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -3.029 -6.100 -4.887 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.635 -5.368 -4.117 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -1.562 -7.276 -2.480 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -2.924 -8.014 -3.298 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -0.835 -8.947 -4.056 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -1.603 -8.131 -5.332 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -0.283 -7.416 -4.538 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.071 -1.507 -3.222 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.219 -0.592 -3.140 1.00 0.29 C ATOM 1374 C PHE A 89 -6.514 -1.349 -3.508 1.00 0.31 C ATOM 1375 O PHE A 89 -6.564 -2.076 -4.506 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.030 0.584 -4.121 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.233 1.785 -3.600 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.614 2.480 -2.439 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.075 2.199 -4.254 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -3.859 3.532 -1.971 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.329 3.262 -3.784 1.00 0.26 C ATOM 1382 CZ PHE A 89 -2.842 4.016 -2.667 1.00 0.31 C ATOM 0 H PHE A 89 -3.778 -1.724 -4.175 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.290 -0.209 -2.122 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.534 0.207 -5.015 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.015 0.935 -4.427 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.508 2.186 -1.909 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.755 1.679 -5.145 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.102 3.972 -1.015 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.386 3.522 -4.241 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.401 4.965 -2.401 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.570 -1.165 -2.690 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.877 -1.868 -2.891 1.00 0.36 C ATOM 1394 C ALA A 90 -10.100 -0.937 -2.600 1.00 0.39 C ATOM 1395 O ALA A 90 -9.981 0.091 -1.902 1.00 0.37 O ATOM 1396 CB ALA A 90 -8.946 -3.164 -2.010 1.00 0.41 C ATOM 0 H ALA A 90 -7.555 -0.540 -1.884 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.933 -2.152 -3.942 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -9.903 -3.662 -2.169 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.136 -3.837 -2.289 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -8.848 -2.895 -0.958 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.278 -1.312 -3.162 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.544 -0.568 -2.979 1.00 0.53 C ATOM 1404 C GLU A 91 -13.663 -1.468 -2.381 1.00 0.63 C ATOM 1405 O GLU A 91 -13.592 -2.704 -2.439 1.00 1.23 O ATOM 1406 CB GLU A 91 -13.009 0.038 -4.329 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.107 -0.968 -5.488 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.474 -0.299 -6.796 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.534 0.358 -6.851 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -12.703 -0.437 -7.766 1.00 2.61 O ATOM 0 H GLU A 91 -11.373 -2.138 -3.753 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.353 0.237 -2.269 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -13.985 0.502 -4.186 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.317 0.831 -4.613 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -12.154 -1.484 -5.601 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.853 -1.726 -5.247 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.710 -0.827 -1.824 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.853 -1.565 -1.202 1.00 0.76 C ATOM 1419 C VAL A 92 -17.218 -1.242 -1.886 1.00 0.66 C ATOM 1420 O VAL A 92 -17.785 -2.111 -2.552 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.987 -1.437 0.399 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.271 -2.602 1.112 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -15.480 -0.097 1.020 1.00 2.00 C ATOM 0 H VAL A 92 -14.798 0.189 -1.787 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.594 -2.607 -1.388 1.00 0.76 H new ATOM 0 HB VAL A 92 -17.064 -1.466 0.564 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.378 -2.489 2.191 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -15.715 -3.547 0.800 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.213 -2.594 0.850 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -15.619 -0.122 2.101 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -14.422 0.032 0.793 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -16.045 0.735 0.601 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.732 -0.003 -1.714 1.00 0.76 N ATOM 1434 CA TYR A 93 -19.022 0.401 -2.324 1.00 0.80 C ATOM 1435 C TYR A 93 -18.937 1.770 -3.047 1.00 0.86 C ATOM 1436 O TYR A 93 -19.608 2.736 -2.667 1.00 1.46 O ATOM 1437 CB TYR A 93 -20.176 0.406 -1.269 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.781 0.886 0.142 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -19.655 2.249 0.436 1.00 1.01 C ATOM 1440 CD2 TYR A 93 -19.530 -0.023 1.179 1.00 1.14 C ATOM 1441 CE1 TYR A 93 -19.297 2.681 1.701 1.00 1.43 C ATOM 1442 CE2 TYR A 93 -19.171 0.412 2.443 1.00 1.47 C ATOM 1443 CZ TYR A 93 -19.056 1.760 2.696 1.00 1.67 C ATOM 1444 OH TYR A 93 -18.697 2.190 3.952 1.00 2.27 O ATOM 0 H TYR A 93 -17.280 0.728 -1.164 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.250 -0.349 -3.081 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -20.980 1.042 -1.639 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -20.578 -0.604 -1.191 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -19.841 2.977 -0.339 1.00 1.01 H new ATOM 0 HD2 TYR A 93 -19.618 -1.082 0.988 1.00 1.14 H new ATOM 0 HE1 TYR A 93 -19.207 3.737 1.907 1.00 1.43 H new ATOM 0 HE2 TYR A 93 -18.982 -0.304 3.229 1.00 1.47 H new ATOM 0 HH TYR A 93 -18.564 1.415 4.537 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.102 1.832 -4.108 1.00 0.78 N ATOM 1455 CA PHE A 94 -17.914 3.050 -4.921 1.00 0.82 C ATOM 1456 C PHE A 94 -17.598 2.660 -6.373 1.00 0.76 C ATOM 1457 O PHE A 94 -16.448 2.359 -6.708 1.00 0.79 O ATOM 1458 CB PHE A 94 -16.770 3.936 -4.367 1.00 1.01 C ATOM 1459 CG PHE A 94 -17.098 4.687 -3.075 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -17.946 5.801 -3.074 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -16.557 4.273 -1.857 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -18.239 6.471 -1.896 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -16.850 4.945 -0.679 1.00 1.23 C ATOM 1464 CZ PHE A 94 -17.705 6.078 -0.723 1.00 1.37 C ATOM 0 H PHE A 94 -17.542 1.040 -4.423 1.00 0.78 H new ATOM 0 HA PHE A 94 -18.839 3.624 -4.879 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -15.897 3.307 -4.192 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -16.492 4.662 -5.131 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -18.378 6.143 -4.003 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -15.900 3.416 -1.831 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -18.905 7.321 -1.919 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -16.433 4.611 0.260 1.00 1.23 H new ATOM 0 HZ PHE A 94 -17.927 6.624 0.182 1.00 1.37 H new ATOM 1474 N ALA A 95 -18.641 2.667 -7.245 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.487 2.295 -8.674 1.00 0.73 C ATOM 1476 C ALA A 95 -18.500 3.536 -9.615 1.00 0.72 C ATOM 1477 O ALA A 95 -19.537 4.193 -9.833 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.561 1.249 -9.079 1.00 0.82 C ATOM 0 H ALA A 95 -19.592 2.925 -6.983 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.505 1.838 -8.793 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.435 0.986 -10.129 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.448 0.355 -8.465 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.555 1.670 -8.927 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.297 3.877 -10.121 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.098 5.018 -11.047 1.00 0.66 C ATOM 1486 C GLN A 96 -15.697 4.979 -11.700 1.00 0.58 C ATOM 1487 O GLN A 96 -14.695 4.673 -11.040 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.281 6.368 -10.304 1.00 0.72 C ATOM 1489 CG GLN A 96 -17.957 7.485 -11.127 1.00 1.40 C ATOM 1490 CD GLN A 96 -19.454 7.280 -11.291 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -19.906 6.665 -12.257 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -20.231 7.793 -10.343 1.00 2.45 N ATOM 0 H GLN A 96 -16.437 3.373 -9.902 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.851 4.931 -11.831 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -17.872 6.192 -9.405 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -16.302 6.720 -9.978 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -17.778 8.445 -10.642 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -17.493 7.534 -12.112 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -19.815 8.296 -9.559 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -21.244 7.684 -10.399 1.00 2.45 H new ATOM 1501 N SER A 97 -15.638 5.325 -13.002 1.00 0.64 N ATOM 1502 CA SER A 97 -14.372 5.333 -13.769 1.00 0.62 C ATOM 1503 C SER A 97 -14.115 6.671 -14.479 1.00 0.81 C ATOM 1504 O SER A 97 -14.932 7.135 -15.283 1.00 1.66 O ATOM 1505 CB SER A 97 -14.374 4.221 -14.820 1.00 0.68 C ATOM 1506 OG SER A 97 -14.007 2.973 -14.262 1.00 0.73 O ATOM 0 H SER A 97 -16.454 5.604 -13.547 1.00 0.64 H new ATOM 0 HA SER A 97 -13.577 5.173 -13.041 1.00 0.62 H new ATOM 0 HB2 SER A 97 -15.366 4.143 -15.265 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.683 4.478 -15.623 1.00 0.68 H new ATOM 0 HG SER A 97 -14.020 2.286 -14.961 1.00 0.73 H new ATOM 1512 N GLN A 98 -12.937 7.278 -14.162 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.444 8.594 -14.715 1.00 0.54 C ATOM 1514 C GLN A 98 -13.278 9.831 -14.245 1.00 0.56 C ATOM 1515 O GLN A 98 -13.662 10.695 -15.042 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.350 8.562 -16.264 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.209 7.685 -16.820 1.00 1.06 C ATOM 1518 CD GLN A 98 -9.831 8.324 -16.670 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -9.683 9.547 -16.731 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -8.814 7.493 -16.471 1.00 1.60 N ATOM 0 H GLN A 98 -12.281 6.864 -13.500 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.444 8.721 -14.300 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -13.297 8.200 -16.665 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -12.218 9.581 -16.628 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -11.215 6.724 -16.306 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.396 7.483 -17.875 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -8.978 6.487 -16.427 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -7.869 7.861 -16.362 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.525 9.877 -12.932 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.311 10.934 -12.263 1.00 0.58 C ATOM 1531 C GLN A 99 -13.806 11.136 -10.824 1.00 0.57 C ATOM 1532 O GLN A 99 -13.729 12.269 -10.343 1.00 0.62 O ATOM 1533 CB GLN A 99 -15.815 10.580 -12.239 1.00 0.61 C ATOM 1534 CG GLN A 99 -16.584 10.895 -13.540 1.00 1.18 C ATOM 1535 CD GLN A 99 -16.816 12.385 -13.745 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -16.007 13.071 -14.371 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -17.923 12.892 -13.213 1.00 2.02 N ATOM 0 H GLN A 99 -13.179 9.168 -12.285 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.183 11.857 -12.828 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -15.918 9.517 -12.023 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.286 11.120 -11.417 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.028 10.499 -14.390 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -17.546 10.382 -13.521 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.566 12.288 -12.702 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -18.129 13.886 -13.316 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.461 10.009 -10.142 1.00 0.53 N ATOM 1547 CA LYS A 100 -12.903 10.032 -8.783 1.00 0.55 C ATOM 1548 C LYS A 100 -11.410 9.666 -8.872 1.00 0.48 C ATOM 1549 O LYS A 100 -10.998 8.531 -8.607 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.661 9.062 -7.853 1.00 0.64 C ATOM 1551 CG LYS A 100 -15.108 9.498 -7.528 1.00 1.11 C ATOM 1552 CD LYS A 100 -15.930 8.414 -6.780 1.00 1.52 C ATOM 1553 CE LYS A 100 -15.336 8.023 -5.409 1.00 2.14 C ATOM 1554 NZ LYS A 100 -14.242 7.019 -5.536 1.00 2.76 N ATOM 0 H LYS A 100 -13.566 9.070 -10.526 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.014 11.028 -8.354 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.686 8.076 -8.317 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -13.105 8.961 -6.921 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -15.078 10.403 -6.921 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -15.619 9.753 -8.456 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -16.947 8.777 -6.635 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -15.995 7.524 -7.405 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -14.953 8.915 -4.913 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -16.125 7.620 -4.774 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -14.389 6.256 -4.845 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -14.246 6.621 -6.497 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -13.327 7.478 -5.355 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.618 10.681 -9.257 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.155 10.550 -9.477 1.00 0.40 C ATOM 1570 C VAL A 101 -8.356 11.260 -8.357 1.00 0.41 C ATOM 1571 O VAL A 101 -8.475 12.471 -8.138 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.659 11.017 -10.933 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.652 9.836 -11.923 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.457 12.190 -11.582 1.00 0.68 C ATOM 0 H VAL A 101 -10.970 11.623 -9.427 1.00 0.45 H new ATOM 0 HA VAL A 101 -8.950 9.480 -9.433 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.653 11.393 -10.745 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.312 10.182 -12.899 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -7.979 9.060 -11.559 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.660 9.430 -12.012 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.035 12.420 -12.560 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.501 11.900 -11.696 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.393 13.071 -10.943 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.534 10.453 -7.674 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.722 10.885 -6.509 1.00 0.40 C ATOM 1586 C PHE A 102 -5.245 11.199 -6.836 1.00 0.38 C ATOM 1587 O PHE A 102 -4.818 11.067 -7.964 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.744 9.722 -5.509 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.151 9.316 -5.054 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.001 10.231 -4.420 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.606 8.008 -5.215 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.253 9.848 -3.969 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -9.858 7.631 -4.767 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.747 8.598 -4.305 1.00 0.69 C ATOM 0 H PHE A 102 -7.406 9.469 -7.911 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.154 11.812 -6.131 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.256 8.858 -5.961 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.156 9.998 -4.634 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.675 11.251 -4.281 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -7.971 7.279 -5.697 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -10.840 10.519 -3.360 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.146 6.590 -4.775 1.00 0.70 H new ATOM 0 HZ PHE A 102 -11.800 8.378 -4.211 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.475 11.665 -5.826 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.021 11.922 -6.018 1.00 0.34 C ATOM 1606 C ASP A 103 -2.202 11.201 -4.931 1.00 0.32 C ATOM 1607 O ASP A 103 -2.535 11.263 -3.745 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.646 13.423 -6.023 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.094 14.189 -7.270 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.318 14.281 -7.505 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -2.218 14.686 -8.009 1.00 1.33 O ATOM 0 H ASP A 103 -4.822 11.868 -4.889 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.780 11.530 -7.006 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.085 13.896 -5.145 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.564 13.514 -5.926 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.105 10.541 -5.347 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.235 9.765 -4.425 1.00 0.28 C ATOM 1618 C VAL A 104 1.275 10.225 -4.602 1.00 0.26 C ATOM 1619 O VAL A 104 1.854 10.140 -5.710 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.545 8.168 -4.595 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.595 7.214 -4.188 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.769 7.744 -3.758 1.00 0.48 C ATOM 0 H VAL A 104 -0.794 10.526 -6.318 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.455 9.971 -3.378 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.705 8.071 -5.669 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.279 6.182 -4.342 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.476 7.419 -4.797 1.00 0.31 H new ATOM 0 HG13 VAL A 104 0.838 7.365 -3.136 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.950 6.677 -3.892 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.579 7.950 -2.705 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.645 8.304 -4.085 1.00 0.48 H new ATOM 1632 N ARG A 105 1.887 10.646 -3.455 1.00 0.26 N ATOM 1633 CA ARG A 105 3.277 11.190 -3.415 1.00 0.26 C ATOM 1634 C ARG A 105 4.267 10.431 -2.481 1.00 0.23 C ATOM 1635 O ARG A 105 3.867 9.879 -1.446 1.00 0.26 O ATOM 1636 CB ARG A 105 3.256 12.662 -2.921 1.00 0.33 C ATOM 1637 CG ARG A 105 2.001 13.493 -3.279 1.00 0.53 C ATOM 1638 CD ARG A 105 2.216 14.994 -3.037 1.00 0.51 C ATOM 1639 NE ARG A 105 1.008 15.755 -3.310 1.00 0.92 N ATOM 1640 CZ ARG A 105 1.003 17.036 -3.689 1.00 1.25 C ATOM 1641 NH1 ARG A 105 2.137 17.724 -3.755 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.139 17.636 -3.989 1.00 1.69 N ATOM 0 H ARG A 105 1.434 10.618 -2.541 1.00 0.26 H new ATOM 0 HA ARG A 105 3.633 11.079 -4.439 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.365 12.659 -1.837 1.00 0.33 H new ATOM 0 HB3 ARG A 105 4.130 13.171 -3.328 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.743 13.328 -4.325 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.156 13.147 -2.684 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.524 15.157 -2.004 1.00 0.51 H new ATOM 0 HD3 ARG A 105 3.026 15.354 -3.672 1.00 0.51 H new ATOM 0 HE ARG A 105 0.110 15.282 -3.206 1.00 0.92 H new ATOM 0 HH11 ARG A 105 3.021 17.275 -3.515 1.00 1.15 H new ATOM 0 HH12 ARG A 105 2.124 18.702 -4.045 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.017 17.120 -3.931 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.141 18.614 -4.278 1.00 1.69 H new ATOM 1656 N VAL A 106 5.592 10.454 -2.854 1.00 0.23 N ATOM 1657 CA VAL A 106 6.688 9.814 -2.030 1.00 0.23 C ATOM 1658 C VAL A 106 7.861 10.808 -1.684 1.00 0.22 C ATOM 1659 O VAL A 106 8.616 11.224 -2.565 1.00 0.23 O ATOM 1660 CB VAL A 106 7.284 8.430 -2.599 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.303 7.256 -2.410 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.747 8.457 -4.083 1.00 0.60 C ATOM 0 H VAL A 106 5.926 10.902 -3.707 1.00 0.23 H new ATOM 0 HA VAL A 106 6.161 9.551 -1.113 1.00 0.23 H new ATOM 0 HB VAL A 106 8.179 8.285 -1.994 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.747 6.343 -2.808 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.093 7.124 -1.348 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.374 7.469 -2.940 1.00 0.57 H new ATOM 0 HG21 VAL A 106 8.130 7.476 -4.362 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.902 8.712 -4.723 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.533 9.202 -4.205 1.00 0.60 H new ATOM 1672 N ASN A 107 7.991 11.167 -0.360 1.00 0.23 N ATOM 1673 CA ASN A 107 9.025 12.124 0.226 1.00 0.23 C ATOM 1674 C ASN A 107 8.913 13.587 -0.308 1.00 0.24 C ATOM 1675 O ASN A 107 9.898 14.337 -0.306 1.00 0.25 O ATOM 1676 CB ASN A 107 10.471 11.619 -0.012 1.00 0.23 C ATOM 1677 CG ASN A 107 11.347 11.604 1.233 1.00 0.27 C ATOM 1678 OD1 ASN A 107 12.170 10.709 1.416 1.00 1.05 O ATOM 1679 ND2 ASN A 107 11.195 12.620 2.073 1.00 1.12 N ATOM 0 H ASN A 107 7.367 10.793 0.355 1.00 0.23 H new ATOM 0 HA ASN A 107 8.802 12.143 1.293 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.427 10.610 -0.422 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.943 12.249 -0.766 1.00 0.23 H new ATOM 0 HD21 ASN A 107 11.774 12.680 2.911 1.00 1.12 H new ATOM 0 HD22 ASN A 107 10.499 13.341 1.881 1.00 1.12 H new ATOM 1686 N GLY A 108 7.703 13.975 -0.741 1.00 0.25 N ATOM 1687 CA GLY A 108 7.495 15.289 -1.327 1.00 0.29 C ATOM 1688 C GLY A 108 7.350 15.269 -2.872 1.00 0.29 C ATOM 1689 O GLY A 108 6.919 16.252 -3.479 1.00 0.32 O ATOM 0 H GLY A 108 6.865 13.395 -0.693 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.599 15.733 -0.893 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.332 15.933 -1.058 1.00 0.29 H new ATOM 1693 N HIS A 109 7.727 14.112 -3.485 1.00 0.27 N ATOM 1694 CA HIS A 109 7.696 13.852 -4.937 1.00 0.28 C ATOM 1695 C HIS A 109 6.344 13.264 -5.424 1.00 0.30 C ATOM 1696 O HIS A 109 5.474 12.959 -4.621 1.00 0.57 O ATOM 1697 CB HIS A 109 8.799 12.825 -5.213 1.00 0.29 C ATOM 1698 CG HIS A 109 10.200 13.350 -5.066 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.827 14.111 -6.029 1.00 0.43 N ATOM 1700 CD2 HIS A 109 11.091 13.220 -4.048 1.00 0.27 C ATOM 1701 CE1 HIS A 109 12.041 14.427 -5.615 1.00 0.46 C ATOM 1702 NE2 HIS A 109 12.225 13.900 -4.416 1.00 0.36 N ATOM 0 H HIS A 109 8.072 13.312 -2.955 1.00 0.27 H new ATOM 0 HA HIS A 109 7.836 14.794 -5.466 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.669 11.982 -4.535 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.674 12.442 -6.226 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.418 14.387 -6.922 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.936 12.683 -3.124 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.761 15.016 -6.163 1.00 0.46 H new ATOM 1711 N THR A 110 6.172 13.108 -6.750 1.00 0.31 N ATOM 1712 CA THR A 110 4.923 12.515 -7.297 1.00 0.32 C ATOM 1713 C THR A 110 5.202 11.277 -8.155 1.00 0.35 C ATOM 1714 O THR A 110 6.079 11.278 -9.029 1.00 0.47 O ATOM 1715 CB THR A 110 3.997 13.495 -8.099 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.701 14.670 -8.546 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.773 13.911 -7.261 1.00 0.47 C ATOM 0 H THR A 110 6.861 13.375 -7.454 1.00 0.31 H new ATOM 0 HA THR A 110 4.371 12.240 -6.398 1.00 0.32 H new ATOM 0 HB THR A 110 3.660 12.950 -8.981 1.00 0.43 H new ATOM 0 HG1 THR A 110 4.087 15.251 -9.042 1.00 0.55 H new ATOM 0 HG21 THR A 110 2.149 14.590 -7.841 1.00 0.47 H new ATOM 0 HG22 THR A 110 2.196 13.025 -6.995 1.00 0.47 H new ATOM 0 HG23 THR A 110 3.107 14.412 -6.353 1.00 0.47 H new ATOM 1725 N VAL A 111 4.411 10.226 -7.896 1.00 0.29 N ATOM 1726 CA VAL A 111 4.563 8.926 -8.603 1.00 0.35 C ATOM 1727 C VAL A 111 3.260 8.463 -9.311 1.00 0.35 C ATOM 1728 O VAL A 111 3.271 8.238 -10.524 1.00 0.39 O ATOM 1729 CB VAL A 111 5.172 7.746 -7.705 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.711 7.808 -7.705 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.665 7.685 -6.227 1.00 1.00 C ATOM 0 H VAL A 111 3.659 10.241 -7.207 1.00 0.29 H new ATOM 0 HA VAL A 111 5.306 9.138 -9.371 1.00 0.35 H new ATOM 0 HB VAL A 111 4.808 6.835 -8.180 1.00 0.38 H new ATOM 0 HG11 VAL A 111 7.108 7.000 -7.091 1.00 1.06 H new ATOM 0 HG12 VAL A 111 7.079 7.702 -8.725 1.00 1.06 H new ATOM 0 HG13 VAL A 111 7.037 8.766 -7.299 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.141 6.850 -5.713 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.916 8.615 -5.718 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.584 7.547 -6.219 1.00 1.00 H new ATOM 1741 N VAL A 112 2.150 8.324 -8.550 1.00 0.33 N ATOM 1742 CA VAL A 112 0.848 7.906 -9.142 1.00 0.35 C ATOM 1743 C VAL A 112 -0.174 9.030 -8.903 1.00 0.34 C ATOM 1744 O VAL A 112 -0.898 9.032 -7.905 1.00 0.32 O ATOM 1745 CB VAL A 112 0.221 6.506 -8.637 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.176 5.608 -9.831 1.00 0.44 C ATOM 1747 CG2 VAL A 112 1.113 5.664 -7.689 1.00 0.40 C ATOM 0 H VAL A 112 2.123 8.490 -7.544 1.00 0.33 H new ATOM 0 HA VAL A 112 1.066 7.730 -10.195 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.646 6.821 -8.056 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -0.595 4.673 -9.459 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -0.919 6.121 -10.441 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.706 5.396 -10.436 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.590 4.748 -7.416 1.00 0.40 H new ATOM 0 HG22 VAL A 112 2.045 5.413 -8.195 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.332 6.239 -6.789 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.225 9.975 -9.861 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.142 11.105 -9.786 1.00 0.38 C ATOM 1759 C LYS A 113 -2.281 10.982 -10.804 1.00 0.43 C ATOM 1760 O LYS A 113 -2.149 11.272 -11.997 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.399 12.452 -9.908 1.00 0.42 C ATOM 1762 CG LYS A 113 0.435 12.638 -11.208 1.00 1.12 C ATOM 1763 CD LYS A 113 0.462 14.107 -11.695 1.00 1.27 C ATOM 1764 CE LYS A 113 1.115 15.063 -10.687 1.00 1.50 C ATOM 1765 NZ LYS A 113 1.215 16.446 -11.231 1.00 2.30 N ATOM 0 H LYS A 113 0.364 9.969 -10.694 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.599 11.084 -8.797 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -1.130 13.258 -9.847 1.00 0.42 H new ATOM 0 HB3 LYS A 113 0.266 12.560 -9.051 1.00 0.42 H new ATOM 0 HG2 LYS A 113 1.456 12.299 -11.032 1.00 1.12 H new ATOM 0 HG3 LYS A 113 0.021 12.006 -11.994 1.00 1.12 H new ATOM 0 HD2 LYS A 113 1.002 14.160 -12.640 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -0.558 14.437 -11.892 1.00 1.27 H new ATOM 0 HE2 LYS A 113 0.533 15.075 -9.766 1.00 1.50 H new ATOM 0 HE3 LYS A 113 2.110 14.699 -10.431 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 1.661 17.066 -10.525 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 1.791 16.438 -12.097 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 0.263 16.802 -11.452 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.384 10.499 -10.230 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.715 10.207 -10.839 1.00 0.42 C ATOM 1781 C ASP A 114 -5.023 8.726 -10.615 1.00 0.38 C ATOM 1782 O ASP A 114 -4.933 7.909 -11.541 1.00 0.40 O ATOM 1783 CB ASP A 114 -4.894 10.573 -12.343 1.00 0.50 C ATOM 1784 CG ASP A 114 -5.370 12.007 -12.571 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.673 12.942 -12.123 1.00 2.09 O ATOM 1786 OD2 ASP A 114 -6.436 12.188 -13.195 1.00 2.48 O ATOM 0 H ASP A 114 -3.385 10.276 -9.235 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.421 10.867 -10.335 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -3.945 10.428 -12.859 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.610 9.885 -12.793 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.380 8.378 -9.353 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.673 6.992 -8.995 1.00 0.36 C ATOM 1793 C LEU A 115 -7.174 6.683 -8.952 1.00 0.38 C ATOM 1794 O LEU A 115 -7.906 7.143 -8.071 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.012 6.567 -7.659 1.00 0.38 C ATOM 1796 CG LEU A 115 -3.998 5.368 -7.727 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.153 5.284 -6.485 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.663 4.009 -7.953 1.00 1.06 C ATOM 0 H LEU A 115 -5.468 9.040 -8.582 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.234 6.402 -9.800 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.491 7.431 -7.246 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.802 6.305 -6.956 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.375 5.586 -8.594 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.465 4.443 -6.569 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.585 6.207 -6.368 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -3.796 5.141 -5.617 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.900 3.232 -7.988 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.354 3.802 -7.136 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -5.210 4.024 -8.896 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.602 5.943 -9.984 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.968 5.438 -10.112 1.00 0.43 C ATOM 1812 C ASP A 116 -8.878 3.891 -10.087 1.00 0.42 C ATOM 1813 O ASP A 116 -8.517 3.261 -11.095 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.639 5.951 -11.407 1.00 0.46 C ATOM 1815 CG ASP A 116 -11.120 6.283 -11.230 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -11.907 5.361 -10.931 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -11.483 7.467 -11.390 1.00 1.83 O ATOM 0 H ASP A 116 -6.998 5.677 -10.762 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.591 5.796 -9.293 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -9.113 6.841 -11.752 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.534 5.196 -12.186 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.222 3.289 -8.917 1.00 0.42 N ATOM 1823 CA ILE A 117 -9.129 1.805 -8.682 1.00 0.42 C ATOM 1824 C ILE A 117 -10.163 0.943 -9.520 1.00 0.44 C ATOM 1825 O ILE A 117 -9.878 -0.218 -9.838 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.222 1.432 -7.131 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.863 2.636 -6.202 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.297 0.227 -6.764 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -10.036 3.227 -5.421 1.00 0.68 C ATOM 0 H ILE A 117 -9.570 3.806 -8.110 1.00 0.42 H new ATOM 0 HA ILE A 117 -8.138 1.537 -9.049 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.263 1.156 -6.964 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -8.101 2.313 -5.493 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.418 3.424 -6.810 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.391 0.007 -5.701 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.592 -0.648 -7.343 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.262 0.480 -6.992 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.684 4.056 -4.807 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.792 3.588 -6.118 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.470 2.460 -4.780 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.321 1.549 -9.916 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.373 0.877 -10.741 1.00 0.51 C ATOM 1843 C PHE A 118 -11.957 0.747 -12.243 1.00 0.53 C ATOM 1844 O PHE A 118 -12.165 -0.301 -12.856 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.698 1.659 -10.612 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.952 0.887 -11.031 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.510 -0.096 -10.207 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.568 1.144 -12.254 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.640 -0.794 -10.596 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.700 0.446 -12.643 1.00 0.75 C ATOM 1851 CZ PHE A 118 -17.247 -0.524 -11.776 1.00 0.77 C ATOM 0 H PHE A 118 -11.551 2.513 -9.674 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.502 -0.137 -10.363 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.815 1.976 -9.576 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.628 2.563 -11.216 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -15.052 -0.313 -9.253 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -15.157 1.898 -12.909 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -17.042 -1.562 -9.952 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -17.159 0.642 -13.601 1.00 0.75 H new ATOM 0 HZ PHE A 118 -18.148 -1.050 -12.053 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.345 1.832 -12.804 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.814 1.874 -14.202 1.00 0.54 C ATOM 1863 C ASP A 119 -9.481 1.054 -14.393 1.00 0.53 C ATOM 1864 O ASP A 119 -9.193 0.602 -15.504 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.604 3.348 -14.626 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.912 3.631 -16.103 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.909 3.087 -16.624 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -10.143 4.388 -16.734 1.00 0.91 O ATOM 0 H ASP A 119 -11.206 2.706 -12.297 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.556 1.395 -14.841 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -11.235 3.985 -14.007 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.571 3.629 -14.422 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.681 0.880 -13.295 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.404 0.115 -13.321 1.00 0.48 C ATOM 1875 C ARG A 120 -7.599 -1.431 -13.296 1.00 0.50 C ATOM 1876 O ARG A 120 -7.102 -2.115 -14.196 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.504 0.542 -12.145 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.833 1.935 -12.298 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.575 1.914 -13.188 1.00 0.52 C ATOM 1880 NE ARG A 120 -3.972 3.239 -13.304 1.00 1.23 N ATOM 1881 CZ ARG A 120 -2.795 3.467 -13.879 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.096 2.464 -14.394 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.314 4.702 -13.941 1.00 2.43 N ATOM 0 H ARG A 120 -8.906 1.265 -12.378 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.928 0.355 -14.272 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -7.101 0.542 -11.233 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.723 -0.207 -12.015 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.556 2.634 -12.720 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.564 2.311 -11.311 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.847 1.218 -12.772 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.837 1.546 -14.180 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.483 4.035 -12.922 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -2.461 1.513 -14.350 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.194 2.644 -14.834 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -2.847 5.477 -13.547 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -1.411 4.876 -14.382 1.00 2.43 H new ATOM 1897 N VAL A 121 -8.314 -1.983 -12.277 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.567 -3.468 -12.218 1.00 0.51 C ATOM 1899 C VAL A 121 -9.965 -3.913 -12.785 1.00 0.56 C ATOM 1900 O VAL A 121 -10.049 -4.974 -13.409 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.314 -4.171 -10.798 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.841 -4.598 -10.647 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.721 -3.335 -9.548 1.00 0.93 C ATOM 0 H VAL A 121 -8.717 -1.452 -11.505 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.789 -3.833 -12.888 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.979 -5.035 -10.817 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.697 -5.072 -9.676 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.584 -5.304 -11.437 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -6.198 -3.721 -10.721 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.507 -3.905 -8.644 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -8.154 -2.404 -9.533 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.787 -3.110 -9.592 1.00 0.93 H new ATOM 1913 N GLY A 122 -11.037 -3.114 -12.564 1.00 0.57 N ATOM 1914 CA GLY A 122 -12.370 -3.474 -13.064 1.00 0.63 C ATOM 1915 C GLY A 122 -13.443 -3.460 -11.981 1.00 0.66 C ATOM 1916 O GLY A 122 -13.833 -2.394 -11.499 1.00 0.85 O ATOM 0 H GLY A 122 -10.999 -2.233 -12.051 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.653 -2.780 -13.856 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -12.327 -4.467 -13.511 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.924 -4.662 -11.603 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.950 -4.809 -10.552 1.00 0.87 C ATOM 1922 C HIS A 123 -14.377 -5.557 -9.336 1.00 0.73 C ATOM 1923 O HIS A 123 -14.160 -6.775 -9.387 1.00 1.34 O ATOM 1924 CB HIS A 123 -16.175 -5.574 -11.096 1.00 1.38 C ATOM 1925 CG HIS A 123 -16.979 -4.824 -12.120 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -16.698 -4.863 -13.470 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -18.063 -4.023 -11.988 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -17.575 -4.118 -14.123 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -18.413 -3.598 -13.246 1.00 3.01 N ATOM 0 H HIS A 123 -13.618 -5.545 -12.011 1.00 0.72 H new ATOM 0 HA HIS A 123 -15.260 -3.811 -10.242 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -15.835 -6.511 -11.536 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -16.826 -5.832 -10.260 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -18.560 -3.766 -11.064 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -17.601 -3.962 -15.191 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -19.194 -2.980 -13.467 1.00 3.01 H new ATOM 1938 N SER A 124 -14.136 -4.793 -8.228 1.00 0.86 N ATOM 1939 CA SER A 124 -13.561 -5.298 -6.932 1.00 0.70 C ATOM 1940 C SER A 124 -12.059 -5.753 -7.073 1.00 0.99 C ATOM 1941 O SER A 124 -11.240 -4.984 -7.584 1.00 2.08 O ATOM 1942 CB SER A 124 -14.470 -6.406 -6.331 1.00 0.73 C ATOM 1943 OG SER A 124 -14.412 -6.422 -4.909 1.00 1.20 O ATOM 0 H SER A 124 -14.337 -3.793 -8.206 1.00 0.86 H new ATOM 0 HA SER A 124 -13.544 -4.466 -6.228 1.00 0.70 H new ATOM 0 HB2 SER A 124 -15.499 -6.245 -6.651 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.164 -7.378 -6.718 1.00 0.73 H new ATOM 0 HG SER A 124 -14.997 -7.130 -4.566 1.00 1.20 H new ATOM 1949 N THR A 125 -11.715 -6.991 -6.582 1.00 0.56 N ATOM 1950 CA THR A 125 -10.335 -7.645 -6.662 1.00 0.51 C ATOM 1951 C THR A 125 -9.169 -6.847 -5.948 1.00 0.48 C ATOM 1952 O THR A 125 -9.423 -5.970 -5.113 1.00 0.51 O ATOM 1953 CB THR A 125 -9.906 -8.065 -8.156 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.786 -6.930 -9.036 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.864 -9.089 -8.822 1.00 0.62 C ATOM 0 H THR A 125 -12.395 -7.584 -6.107 1.00 0.56 H new ATOM 0 HA THR A 125 -10.472 -8.559 -6.084 1.00 0.51 H new ATOM 0 HB THR A 125 -8.933 -8.538 -8.020 1.00 0.55 H new ATOM 0 HG1 THR A 125 -10.145 -6.133 -8.593 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.508 -9.321 -9.826 1.00 0.62 H new ATOM 0 HG22 THR A 125 -10.892 -10.002 -8.227 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.866 -8.664 -8.882 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.888 -7.186 -6.279 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.699 -6.521 -5.696 1.00 0.43 C ATOM 1965 C ALA A 126 -5.901 -5.685 -6.746 1.00 0.38 C ATOM 1966 O ALA A 126 -5.580 -6.165 -7.849 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.768 -7.579 -5.042 1.00 0.46 C ATOM 0 H ALA A 126 -7.660 -7.920 -6.950 1.00 0.46 H new ATOM 0 HA ALA A 126 -7.060 -5.824 -4.940 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.896 -7.083 -4.616 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.309 -8.102 -4.254 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.444 -8.295 -5.797 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.602 -4.409 -6.390 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.794 -3.494 -7.239 1.00 0.32 C ATOM 1975 C HIS A 127 -3.358 -3.401 -6.660 1.00 0.31 C ATOM 1976 O HIS A 127 -3.178 -3.283 -5.446 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.442 -2.088 -7.315 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.770 -1.122 -8.278 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.194 -1.514 -9.472 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.545 0.216 -8.186 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.643 -0.467 -10.060 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.845 0.590 -9.304 1.00 0.38 N ATOM 0 H HIS A 127 -5.911 -3.988 -5.514 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.754 -3.892 -8.253 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.486 -2.201 -7.607 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.436 -1.647 -6.318 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.859 0.864 -7.381 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.116 -0.477 -11.002 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.531 1.537 -9.516 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.346 -3.427 -7.534 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.945 -3.411 -7.064 1.00 0.33 C ATOM 1993 C ASP A 128 -0.019 -2.440 -7.820 1.00 0.30 C ATOM 1994 O ASP A 128 0.082 -2.475 -9.053 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.302 -4.860 -7.047 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.494 -5.738 -8.312 1.00 1.70 C ATOM 1997 OD1 ASP A 128 -0.097 -5.295 -9.410 1.00 2.50 O ATOM 1998 OD2 ASP A 128 -1.036 -6.856 -8.182 1.00 2.10 O ATOM 0 H ASP A 128 -2.459 -3.458 -8.547 1.00 0.32 H new ATOM 0 HA ASP A 128 -1.020 -3.035 -6.044 1.00 0.33 H new ATOM 0 HB2 ASP A 128 0.768 -4.752 -6.870 1.00 0.45 H new ATOM 0 HB3 ASP A 128 -0.713 -5.401 -6.195 1.00 0.45 H new ATOM 2003 N GLU A 129 0.652 -1.569 -7.044 1.00 0.25 N ATOM 2004 CA GLU A 129 1.646 -0.645 -7.600 1.00 0.30 C ATOM 2005 C GLU A 129 3.060 -0.943 -7.042 1.00 0.27 C ATOM 2006 O GLU A 129 3.279 -0.993 -5.814 1.00 0.25 O ATOM 2007 CB GLU A 129 1.255 0.819 -7.326 1.00 0.43 C ATOM 2008 CG GLU A 129 1.279 1.739 -8.566 1.00 0.91 C ATOM 2009 CD GLU A 129 0.160 1.442 -9.554 1.00 0.76 C ATOM 2010 OE1 GLU A 129 -0.968 1.934 -9.338 1.00 1.56 O ATOM 2011 OE2 GLU A 129 0.413 0.718 -10.540 1.00 1.12 O ATOM 0 H GLU A 129 0.522 -1.489 -6.036 1.00 0.25 H new ATOM 0 HA GLU A 129 1.668 -0.796 -8.679 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.254 0.838 -6.896 1.00 0.43 H new ATOM 0 HB3 GLU A 129 1.932 1.227 -6.575 1.00 0.43 H new ATOM 0 HG2 GLU A 129 1.203 2.777 -8.242 1.00 0.91 H new ATOM 0 HG3 GLU A 129 2.239 1.632 -9.071 1.00 0.91 H new ATOM 2018 N ILE A 130 4.000 -1.152 -7.992 1.00 0.28 N ATOM 2019 CA ILE A 130 5.423 -1.464 -7.705 1.00 0.28 C ATOM 2020 C ILE A 130 6.332 -0.300 -8.177 1.00 0.29 C ATOM 2021 O ILE A 130 6.433 -0.024 -9.379 1.00 0.39 O ATOM 2022 CB ILE A 130 5.919 -2.805 -8.407 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.756 -3.615 -9.061 1.00 0.37 C ATOM 2024 CG2 ILE A 130 6.698 -3.726 -7.423 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.568 -3.383 -10.561 1.00 0.45 C ATOM 0 H ILE A 130 3.792 -1.109 -8.990 1.00 0.28 H new ATOM 0 HA ILE A 130 5.493 -1.601 -6.626 1.00 0.28 H new ATOM 0 HB ILE A 130 6.593 -2.479 -9.199 1.00 0.31 H new ATOM 0 HG12 ILE A 130 4.934 -4.677 -8.893 1.00 0.37 H new ATOM 0 HG13 ILE A 130 3.826 -3.363 -8.551 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.017 -4.628 -7.945 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.573 -3.197 -7.045 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.050 -3.998 -6.590 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.737 -3.989 -10.922 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.354 -2.330 -10.742 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.479 -3.664 -11.090 1.00 0.45 H new ATOM 2037 N ILE A 131 6.993 0.368 -7.213 1.00 0.21 N ATOM 2038 CA ILE A 131 7.879 1.509 -7.521 1.00 0.26 C ATOM 2039 C ILE A 131 9.283 1.355 -6.828 1.00 0.18 C ATOM 2040 O ILE A 131 9.385 1.602 -5.619 1.00 0.18 O ATOM 2041 CB ILE A 131 7.237 2.898 -7.099 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.677 2.836 -6.985 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.615 4.016 -8.124 1.00 0.62 C ATOM 2044 CD1 ILE A 131 5.107 3.001 -5.579 1.00 0.84 C ATOM 0 H ILE A 131 6.932 0.140 -6.221 1.00 0.21 H new ATOM 0 HA ILE A 131 8.011 1.503 -8.603 1.00 0.26 H new ATOM 0 HB ILE A 131 7.643 3.129 -6.114 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.254 3.613 -7.622 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.340 1.879 -7.383 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.165 4.960 -7.816 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.699 4.126 -8.160 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.245 3.743 -9.113 1.00 0.62 H new ATOM 0 HD11 ILE A 131 4.019 2.941 -5.618 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.491 2.209 -4.936 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.403 3.970 -5.178 1.00 0.84 H new ATOM 2056 N PRO A 132 10.391 0.920 -7.564 1.00 0.13 N ATOM 2057 CA PRO A 132 11.779 0.822 -6.981 1.00 0.09 C ATOM 2058 C PRO A 132 12.492 2.183 -6.771 1.00 0.08 C ATOM 2059 O PRO A 132 12.351 3.107 -7.576 1.00 0.16 O ATOM 2060 CB PRO A 132 12.569 0.002 -8.026 1.00 0.13 C ATOM 2061 CG PRO A 132 11.516 -0.651 -8.869 1.00 0.16 C ATOM 2062 CD PRO A 132 10.390 0.362 -8.943 1.00 0.16 C ATOM 0 HA PRO A 132 11.724 0.380 -5.986 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.216 0.642 -8.626 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.209 -0.739 -7.547 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.897 -0.891 -9.862 1.00 0.16 H new ATOM 0 HG3 PRO A 132 11.177 -1.586 -8.423 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.579 1.129 -9.694 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.437 -0.104 -9.195 1.00 0.16 H new ATOM 2070 N ILE A 133 13.251 2.262 -5.667 1.00 0.07 N ATOM 2071 CA ILE A 133 14.002 3.469 -5.264 1.00 0.08 C ATOM 2072 C ILE A 133 15.515 3.115 -5.067 1.00 0.08 C ATOM 2073 O ILE A 133 15.871 1.985 -4.716 1.00 0.10 O ATOM 2074 CB ILE A 133 13.391 4.107 -3.925 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.823 3.987 -3.887 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.804 5.608 -3.744 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.196 3.722 -2.504 1.00 0.38 C ATOM 0 H ILE A 133 13.364 1.482 -5.019 1.00 0.07 H new ATOM 0 HA ILE A 133 13.913 4.212 -6.056 1.00 0.08 H new ATOM 0 HB ILE A 133 13.810 3.532 -3.099 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.399 4.909 -4.285 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.524 3.182 -4.559 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.367 5.997 -2.824 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.890 5.683 -3.690 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.442 6.190 -4.592 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.112 3.659 -2.602 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.580 2.783 -2.104 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.452 4.536 -1.826 1.00 0.38 H new ATOM 2089 N SER A 134 16.387 4.109 -5.309 1.00 0.10 N ATOM 2090 CA SER A 134 17.831 3.937 -5.140 1.00 0.12 C ATOM 2091 C SER A 134 18.461 5.154 -4.423 1.00 0.13 C ATOM 2092 O SER A 134 18.489 6.271 -4.952 1.00 0.15 O ATOM 2093 CB SER A 134 18.496 3.680 -6.508 1.00 0.15 C ATOM 2094 OG SER A 134 19.751 3.022 -6.379 1.00 1.31 O ATOM 0 H SER A 134 16.111 5.040 -5.623 1.00 0.10 H new ATOM 0 HA SER A 134 18.005 3.068 -4.506 1.00 0.12 H new ATOM 0 HB2 SER A 134 17.832 3.075 -7.125 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.636 4.629 -7.026 1.00 0.15 H new ATOM 0 HG SER A 134 20.137 2.877 -7.268 1.00 1.31 H new ATOM 2100 N ILE A 135 18.955 4.897 -3.194 1.00 0.13 N ATOM 2101 CA ILE A 135 19.623 5.912 -2.346 1.00 0.15 C ATOM 2102 C ILE A 135 21.144 5.545 -2.230 1.00 0.18 C ATOM 2103 O ILE A 135 21.494 4.430 -1.826 1.00 0.18 O ATOM 2104 CB ILE A 135 18.908 6.029 -0.909 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.374 6.229 -1.056 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.483 7.171 0.007 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.513 5.289 -0.200 1.00 0.15 C ATOM 0 H ILE A 135 18.903 3.976 -2.758 1.00 0.13 H new ATOM 0 HA ILE A 135 19.536 6.897 -2.805 1.00 0.15 H new ATOM 0 HB ILE A 135 19.123 5.080 -0.417 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.130 7.259 -0.795 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.103 6.093 -2.103 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.946 7.181 0.956 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.542 6.991 0.191 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.360 8.133 -0.490 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.458 5.505 -0.371 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.721 4.255 -0.474 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.748 5.439 0.854 1.00 0.15 H new ATOM 2119 N LYS A 136 22.012 6.510 -2.606 1.00 0.20 N ATOM 2120 CA LYS A 136 23.482 6.336 -2.557 1.00 0.23 C ATOM 2121 C LYS A 136 24.174 7.638 -2.155 1.00 0.28 C ATOM 2122 O LYS A 136 23.869 8.718 -2.688 1.00 0.29 O ATOM 2123 CB LYS A 136 24.024 5.845 -3.910 1.00 0.22 C ATOM 2124 CG LYS A 136 23.762 4.350 -4.159 1.00 0.25 C ATOM 2125 CD LYS A 136 24.117 3.903 -5.593 1.00 0.94 C ATOM 2126 CE LYS A 136 23.891 2.395 -5.803 1.00 1.23 C ATOM 2127 NZ LYS A 136 22.458 2.026 -5.656 1.00 2.05 N ATOM 0 H LYS A 136 21.718 7.424 -2.949 1.00 0.20 H new ATOM 0 HA LYS A 136 23.700 5.581 -1.802 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.566 6.426 -4.710 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.097 6.032 -3.954 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.342 3.762 -3.448 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.711 4.135 -3.968 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.512 4.462 -6.307 1.00 0.94 H new ATOM 0 HD3 LYS A 136 25.159 4.145 -5.800 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.240 2.110 -6.796 1.00 1.23 H new ATOM 0 HE3 LYS A 136 24.487 1.834 -5.083 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 22.285 1.112 -6.121 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 22.221 1.951 -4.646 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 21.864 2.757 -6.098 1.00 2.05 H new ATOM 2141 N LYS A 137 25.095 7.529 -1.145 1.00 0.33 N ATOM 2142 CA LYS A 137 25.884 8.680 -0.555 1.00 0.40 C ATOM 2143 C LYS A 137 25.003 9.695 0.261 1.00 0.39 C ATOM 2144 O LYS A 137 25.447 10.802 0.582 1.00 0.42 O ATOM 2145 CB LYS A 137 26.678 9.429 -1.665 1.00 0.44 C ATOM 2146 CG LYS A 137 28.180 9.708 -1.362 1.00 0.99 C ATOM 2147 CD LYS A 137 28.416 10.731 -0.212 1.00 1.59 C ATOM 2148 CE LYS A 137 28.188 12.194 -0.635 1.00 2.70 C ATOM 2149 NZ LYS A 137 28.500 13.137 0.475 1.00 3.55 N ATOM 0 H LYS A 137 25.318 6.634 -0.709 1.00 0.33 H new ATOM 0 HA LYS A 137 26.579 8.233 0.156 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.616 8.846 -2.584 1.00 0.44 H new ATOM 0 HB3 LYS A 137 26.184 10.381 -1.857 1.00 0.44 H new ATOM 0 HG2 LYS A 137 28.668 8.768 -1.104 1.00 0.99 H new ATOM 0 HG3 LYS A 137 28.660 10.079 -2.268 1.00 0.99 H new ATOM 0 HD2 LYS A 137 27.750 10.493 0.618 1.00 1.59 H new ATOM 0 HD3 LYS A 137 29.436 10.622 0.157 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.812 12.426 -1.498 1.00 2.70 H new ATOM 0 HE3 LYS A 137 27.152 12.327 -0.947 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 28.336 14.114 0.157 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 27.887 12.930 1.289 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 29.496 13.027 0.755 1.00 3.55 H new ATOM 2163 N GLY A 138 23.755 9.277 0.587 1.00 0.35 N ATOM 2164 CA GLY A 138 22.792 10.115 1.303 1.00 0.36 C ATOM 2165 C GLY A 138 21.772 10.844 0.394 1.00 0.33 C ATOM 2166 O GLY A 138 21.143 11.805 0.846 1.00 0.37 O ATOM 0 H GLY A 138 23.399 8.349 0.356 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.247 9.494 2.013 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.338 10.859 1.884 1.00 0.36 H new ATOM 2170 N LYS A 139 21.600 10.392 -0.885 1.00 0.29 N ATOM 2171 CA LYS A 139 20.649 11.045 -1.811 1.00 0.29 C ATOM 2172 C LYS A 139 19.653 10.058 -2.447 1.00 0.26 C ATOM 2173 O LYS A 139 19.986 8.906 -2.724 1.00 0.25 O ATOM 2174 CB LYS A 139 21.385 11.803 -2.921 1.00 0.33 C ATOM 2175 CG LYS A 139 22.387 12.870 -2.422 1.00 0.65 C ATOM 2176 CD LYS A 139 23.247 13.485 -3.557 1.00 0.67 C ATOM 2177 CE LYS A 139 22.425 14.270 -4.603 1.00 1.00 C ATOM 2178 NZ LYS A 139 21.811 13.376 -5.625 1.00 1.56 N ATOM 0 H LYS A 139 22.099 9.596 -1.282 1.00 0.29 H new ATOM 0 HA LYS A 139 20.081 11.747 -1.201 1.00 0.29 H new ATOM 0 HB2 LYS A 139 21.920 11.083 -3.540 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.648 12.288 -3.561 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.838 13.667 -1.920 1.00 0.65 H new ATOM 0 HG3 LYS A 139 23.046 12.420 -1.680 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.990 14.151 -3.118 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.792 12.687 -4.061 1.00 0.67 H new ATOM 0 HE2 LYS A 139 21.641 14.833 -4.097 1.00 1.00 H new ATOM 0 HE3 LYS A 139 23.070 14.996 -5.098 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 21.996 13.757 -6.575 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 22.224 12.425 -5.547 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 20.784 13.322 -5.467 1.00 1.56 H new ATOM 2192 N LEU A 140 18.449 10.569 -2.770 1.00 0.25 N ATOM 2193 CA LEU A 140 17.346 9.754 -3.311 1.00 0.24 C ATOM 2194 C LEU A 140 17.124 9.923 -4.835 1.00 0.26 C ATOM 2195 O LEU A 140 17.213 11.024 -5.385 1.00 0.34 O ATOM 2196 CB LEU A 140 16.061 10.150 -2.550 1.00 0.24 C ATOM 2197 CG LEU A 140 14.955 9.070 -2.354 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.441 9.051 -0.916 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.782 9.304 -3.292 1.00 0.25 C ATOM 0 H LEU A 140 18.215 11.556 -2.663 1.00 0.25 H new ATOM 0 HA LEU A 140 17.605 8.705 -3.169 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.356 10.507 -1.563 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.612 10.994 -3.073 1.00 0.24 H new ATOM 0 HG LEU A 140 15.414 8.108 -2.583 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.671 8.286 -0.815 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.265 8.828 -0.238 1.00 0.22 H new ATOM 0 HD13 LEU A 140 14.020 10.025 -0.667 1.00 0.22 H new ATOM 0 HD21 LEU A 140 13.028 8.534 -3.130 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.348 10.284 -3.094 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.128 9.262 -4.325 1.00 0.25 H new ATOM 2211 N SER A 141 16.817 8.792 -5.490 1.00 0.21 N ATOM 2212 CA SER A 141 16.536 8.749 -6.933 1.00 0.22 C ATOM 2213 C SER A 141 15.254 7.928 -7.199 1.00 0.19 C ATOM 2214 O SER A 141 15.230 6.707 -6.990 1.00 0.16 O ATOM 2215 CB SER A 141 17.728 8.136 -7.686 1.00 0.25 C ATOM 2216 OG SER A 141 17.939 8.776 -8.938 1.00 0.64 O ATOM 0 H SER A 141 16.757 7.882 -5.034 1.00 0.21 H new ATOM 0 HA SER A 141 16.381 9.766 -7.293 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.628 8.222 -7.076 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.551 7.072 -7.845 1.00 0.25 H new ATOM 0 HG SER A 141 18.704 8.364 -9.391 1.00 0.64 H new ATOM 2222 N VAL A 142 14.192 8.617 -7.660 1.00 0.21 N ATOM 2223 CA VAL A 142 12.888 7.976 -7.944 1.00 0.22 C ATOM 2224 C VAL A 142 12.527 8.061 -9.489 1.00 0.25 C ATOM 2225 O VAL A 142 12.003 9.070 -9.971 1.00 0.26 O ATOM 2226 CB VAL A 142 11.744 8.506 -6.898 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.264 9.983 -7.063 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.515 7.572 -6.845 1.00 0.41 C ATOM 0 H VAL A 142 14.209 9.620 -7.845 1.00 0.21 H new ATOM 0 HA VAL A 142 12.947 6.904 -7.756 1.00 0.22 H new ATOM 0 HB VAL A 142 12.284 8.483 -5.951 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.508 10.206 -6.310 1.00 0.46 H new ATOM 0 HG12 VAL A 142 12.111 10.657 -6.937 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.837 10.118 -8.057 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.787 7.968 -6.137 1.00 0.41 H new ATOM 0 HG22 VAL A 142 10.062 7.510 -7.835 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.827 6.578 -6.526 1.00 0.41 H new ATOM 2238 N GLN A 143 12.867 6.963 -10.241 1.00 0.31 N ATOM 2239 CA GLN A 143 12.616 6.797 -11.725 1.00 0.39 C ATOM 2240 C GLN A 143 13.462 7.760 -12.613 1.00 0.41 C ATOM 2241 O GLN A 143 14.545 7.397 -13.078 1.00 0.46 O ATOM 2242 CB GLN A 143 11.100 6.914 -12.067 1.00 0.44 C ATOM 2243 CG GLN A 143 10.203 5.866 -11.400 1.00 0.65 C ATOM 2244 CD GLN A 143 10.343 4.481 -12.013 1.00 0.87 C ATOM 2245 OE1 GLN A 143 9.635 4.133 -12.958 1.00 1.56 O ATOM 2246 NE2 GLN A 143 11.258 3.685 -11.472 1.00 1.12 N ATOM 0 H GLN A 143 13.331 6.152 -9.831 1.00 0.31 H new ATOM 0 HA GLN A 143 12.949 5.787 -11.966 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.753 7.905 -11.776 1.00 0.44 H new ATOM 0 HB3 GLN A 143 10.980 6.838 -13.148 1.00 0.44 H new ATOM 0 HG2 GLN A 143 10.445 5.813 -10.338 1.00 0.65 H new ATOM 0 HG3 GLN A 143 9.164 6.186 -11.475 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.823 4.015 -10.689 1.00 1.12 H new ATOM 0 HE22 GLN A 143 11.396 2.743 -11.839 1.00 1.12 H new ATOM 2255 N GLY A 144 12.932 8.981 -12.829 1.00 0.40 N ATOM 2256 CA GLY A 144 13.625 10.022 -13.595 1.00 0.45 C ATOM 2257 C GLY A 144 13.758 11.348 -12.817 1.00 0.42 C ATOM 2258 O GLY A 144 13.844 12.420 -13.422 1.00 0.49 O ATOM 0 H GLY A 144 12.018 9.266 -12.478 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.618 9.665 -13.868 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.085 10.204 -14.524 1.00 0.45 H new ATOM 2262 N GLU A 145 13.770 11.253 -11.464 1.00 0.33 N ATOM 2263 CA GLU A 145 13.893 12.403 -10.560 1.00 0.32 C ATOM 2264 C GLU A 145 15.053 12.206 -9.573 1.00 0.27 C ATOM 2265 O GLU A 145 15.238 11.121 -9.011 1.00 0.36 O ATOM 2266 CB GLU A 145 12.577 12.589 -9.776 1.00 0.37 C ATOM 2267 CG GLU A 145 11.461 13.310 -10.552 1.00 0.80 C ATOM 2268 CD GLU A 145 11.672 14.814 -10.638 1.00 1.16 C ATOM 2269 OE1 GLU A 145 11.203 15.533 -9.730 1.00 1.82 O ATOM 2270 OE2 GLU A 145 12.309 15.270 -11.611 1.00 1.53 O ATOM 0 H GLU A 145 13.693 10.362 -10.974 1.00 0.33 H new ATOM 0 HA GLU A 145 14.096 13.290 -11.160 1.00 0.32 H new ATOM 0 HB2 GLU A 145 12.212 11.609 -9.468 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.789 13.150 -8.866 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.403 12.899 -11.560 1.00 0.80 H new ATOM 0 HG3 GLU A 145 10.504 13.110 -10.070 1.00 0.80 H new ATOM 2277 N VAL A 146 15.825 13.274 -9.358 1.00 0.30 N ATOM 2278 CA VAL A 146 16.981 13.227 -8.441 1.00 0.27 C ATOM 2279 C VAL A 146 16.899 14.382 -7.364 1.00 0.28 C ATOM 2280 O VAL A 146 16.756 15.567 -7.695 1.00 0.32 O ATOM 2281 CB VAL A 146 18.375 13.114 -9.278 1.00 0.31 C ATOM 2282 CG1 VAL A 146 18.881 14.418 -9.977 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.523 12.492 -8.441 1.00 0.72 C ATOM 0 H VAL A 146 15.677 14.181 -9.801 1.00 0.30 H new ATOM 0 HA VAL A 146 16.954 12.315 -7.844 1.00 0.27 H new ATOM 0 HB VAL A 146 18.096 12.442 -10.089 1.00 0.31 H new ATOM 0 HG11 VAL A 146 19.815 14.212 -10.499 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.133 14.761 -10.692 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.048 15.191 -9.227 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.428 12.440 -9.046 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.709 13.110 -7.563 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.240 11.488 -8.125 1.00 0.72 H new ATOM 2293 N SER A 147 16.983 13.979 -6.087 1.00 0.27 N ATOM 2294 CA SER A 147 16.935 14.897 -4.939 1.00 0.29 C ATOM 2295 C SER A 147 17.755 14.320 -3.771 1.00 0.29 C ATOM 2296 O SER A 147 18.376 13.258 -3.893 1.00 0.30 O ATOM 2297 CB SER A 147 15.480 15.128 -4.489 1.00 0.31 C ATOM 2298 OG SER A 147 14.873 16.185 -5.217 1.00 0.56 O ATOM 0 H SER A 147 17.087 13.000 -5.820 1.00 0.27 H new ATOM 0 HA SER A 147 17.362 15.853 -5.243 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.905 14.212 -4.627 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.460 15.359 -3.424 1.00 0.31 H new ATOM 0 HG SER A 147 15.272 16.238 -6.110 1.00 0.56 H new ATOM 2304 N THR A 148 17.806 15.039 -2.643 1.00 0.30 N ATOM 2305 CA THR A 148 18.548 14.549 -1.463 1.00 0.31 C ATOM 2306 C THR A 148 17.608 13.985 -0.330 1.00 0.27 C ATOM 2307 O THR A 148 16.561 14.565 -0.018 1.00 0.32 O ATOM 2308 CB THR A 148 19.666 15.584 -0.956 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.480 15.000 0.079 1.00 1.25 O ATOM 2310 CG2 THR A 148 19.146 16.957 -0.453 1.00 0.99 C ATOM 0 H THR A 148 17.354 15.945 -2.517 1.00 0.30 H new ATOM 0 HA THR A 148 19.114 13.679 -1.795 1.00 0.31 H new ATOM 0 HB THR A 148 20.244 15.789 -1.857 1.00 0.44 H new ATOM 0 HG1 THR A 148 21.154 15.649 0.370 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.989 17.572 -0.137 1.00 0.99 H new ATOM 0 HG22 THR A 148 18.611 17.461 -1.258 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.472 16.804 0.390 1.00 0.99 H new ATOM 2318 N PHE A 149 18.034 12.842 0.267 1.00 0.26 N ATOM 2319 CA PHE A 149 17.307 12.160 1.380 1.00 0.24 C ATOM 2320 C PHE A 149 17.658 12.787 2.751 1.00 0.24 C ATOM 2321 O PHE A 149 18.829 12.813 3.151 1.00 0.29 O ATOM 2322 CB PHE A 149 17.663 10.638 1.408 1.00 0.23 C ATOM 2323 CG PHE A 149 17.033 9.848 2.577 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.647 9.658 2.662 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.832 9.250 3.558 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.093 8.900 3.676 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.271 8.503 4.574 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.887 8.520 4.752 1.00 0.25 C ATOM 0 H PHE A 149 18.892 12.363 -0.007 1.00 0.26 H new ATOM 0 HA PHE A 149 16.240 12.287 1.200 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.343 10.187 0.469 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.747 10.533 1.459 1.00 0.23 H new ATOM 0 HD1 PHE A 149 15.002 10.111 1.924 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.904 9.375 3.519 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.055 8.606 3.633 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.897 7.911 5.225 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.445 8.246 5.699 1.00 0.25 H new ATOM 2338 N THR A 150 16.630 13.276 3.464 1.00 0.25 N ATOM 2339 CA THR A 150 16.856 13.890 4.794 1.00 0.30 C ATOM 2340 C THR A 150 15.938 13.293 5.880 1.00 0.40 C ATOM 2341 O THR A 150 14.817 13.766 6.100 1.00 1.15 O ATOM 2342 CB THR A 150 16.704 15.465 4.799 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.738 15.914 3.827 1.00 1.42 O ATOM 2344 CG2 THR A 150 18.045 16.191 4.548 1.00 1.18 C ATOM 0 H THR A 150 15.657 13.263 3.157 1.00 0.25 H new ATOM 0 HA THR A 150 17.894 13.651 5.028 1.00 0.30 H new ATOM 0 HB THR A 150 16.354 15.720 5.799 1.00 0.66 H new ATOM 0 HG1 THR A 150 15.670 16.891 3.861 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.883 17.269 4.562 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.757 15.921 5.328 1.00 1.18 H new ATOM 0 HG23 THR A 150 18.442 15.896 3.577 1.00 1.18 H new ATOM 2352 N GLY A 151 16.453 12.234 6.555 1.00 0.32 N ATOM 2353 CA GLY A 151 15.761 11.563 7.679 1.00 0.18 C ATOM 2354 C GLY A 151 14.631 10.564 7.363 1.00 0.20 C ATOM 2355 O GLY A 151 14.781 9.370 7.633 1.00 0.42 O ATOM 0 H GLY A 151 17.360 11.823 6.333 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.515 11.035 8.263 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.346 12.339 8.322 1.00 0.18 H new ATOM 2359 N LYS A 152 13.508 11.053 6.802 1.00 0.16 N ATOM 2360 CA LYS A 152 12.340 10.194 6.534 1.00 0.13 C ATOM 2361 C LYS A 152 11.728 10.372 5.124 1.00 0.13 C ATOM 2362 O LYS A 152 11.865 11.409 4.472 1.00 0.16 O ATOM 2363 CB LYS A 152 11.287 10.450 7.685 1.00 0.22 C ATOM 2364 CG LYS A 152 9.774 10.244 7.353 1.00 0.41 C ATOM 2365 CD LYS A 152 8.954 11.565 7.320 1.00 0.56 C ATOM 2366 CE LYS A 152 9.409 12.548 6.228 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.382 13.596 5.971 1.00 1.10 N ATOM 0 H LYS A 152 13.386 12.028 6.528 1.00 0.16 H new ATOM 0 HA LYS A 152 12.666 9.154 6.536 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.538 9.795 8.519 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.416 11.475 8.034 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.688 9.749 6.386 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.337 9.574 8.094 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.902 11.325 7.165 1.00 0.56 H new ATOM 0 HD3 LYS A 152 9.030 12.054 8.291 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.344 13.020 6.529 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.610 12.001 5.307 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.587 14.068 5.067 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.441 13.156 5.926 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.401 14.296 6.740 1.00 1.10 H new ATOM 2381 N LEU A 153 11.025 9.296 4.712 1.00 0.12 N ATOM 2382 CA LEU A 153 10.275 9.199 3.431 1.00 0.13 C ATOM 2383 C LEU A 153 8.764 9.327 3.717 1.00 0.13 C ATOM 2384 O LEU A 153 8.268 8.723 4.676 1.00 0.18 O ATOM 2385 CB LEU A 153 10.563 7.835 2.766 1.00 0.15 C ATOM 2386 CG LEU A 153 10.996 7.818 1.269 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.801 6.562 0.944 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.799 7.886 0.325 1.00 0.67 C ATOM 0 H LEU A 153 10.958 8.446 5.272 1.00 0.12 H new ATOM 0 HA LEU A 153 10.589 9.999 2.761 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.345 7.342 3.344 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.665 7.224 2.859 1.00 0.15 H new ATOM 0 HG LEU A 153 11.614 8.704 1.120 1.00 0.34 H new ATOM 0 HD11 LEU A 153 12.090 6.577 -0.107 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.696 6.532 1.566 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.193 5.679 1.141 1.00 0.43 H new ATOM 0 HD21 LEU A 153 10.148 7.872 -0.707 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.149 7.029 0.500 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.244 8.806 0.507 1.00 0.67 H new ATOM 2400 N SER A 154 8.011 10.092 2.898 1.00 0.14 N ATOM 2401 CA SER A 154 6.578 10.266 3.199 1.00 0.16 C ATOM 2402 C SER A 154 5.611 9.789 2.097 1.00 0.19 C ATOM 2403 O SER A 154 5.858 9.932 0.909 1.00 0.36 O ATOM 2404 CB SER A 154 6.307 11.757 3.495 1.00 0.21 C ATOM 2405 OG SER A 154 5.137 11.955 4.283 1.00 0.24 O ATOM 0 H SER A 154 8.350 10.575 2.066 1.00 0.14 H new ATOM 0 HA SER A 154 6.378 9.629 4.060 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.166 12.183 4.013 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.203 12.297 2.554 1.00 0.21 H new ATOM 0 HG SER A 154 4.908 11.121 4.744 1.00 0.24 H new ATOM 2411 N VAL A 155 4.478 9.221 2.537 1.00 0.16 N ATOM 2412 CA VAL A 155 3.398 8.792 1.602 1.00 0.19 C ATOM 2413 C VAL A 155 2.166 9.672 1.902 1.00 0.25 C ATOM 2414 O VAL A 155 1.405 9.388 2.834 1.00 0.30 O ATOM 2415 CB VAL A 155 2.944 7.249 1.631 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.961 6.633 0.214 1.00 0.39 C ATOM 2417 CG2 VAL A 155 3.757 6.322 2.565 1.00 0.74 C ATOM 0 H VAL A 155 4.276 9.045 3.521 1.00 0.16 H new ATOM 0 HA VAL A 155 3.821 8.912 0.605 1.00 0.19 H new ATOM 0 HB VAL A 155 1.935 7.297 2.039 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.649 5.590 0.267 1.00 0.39 H new ATOM 0 HG12 VAL A 155 2.276 7.184 -0.431 1.00 0.39 H new ATOM 0 HG13 VAL A 155 3.970 6.690 -0.195 1.00 0.39 H new ATOM 0 HG21 VAL A 155 3.363 5.308 2.504 1.00 0.74 H new ATOM 0 HG22 VAL A 155 4.803 6.324 2.259 1.00 0.74 H new ATOM 0 HG23 VAL A 155 3.678 6.680 3.591 1.00 0.74 H new ATOM 2427 N GLU A 156 1.993 10.738 1.099 1.00 0.28 N ATOM 2428 CA GLU A 156 0.893 11.688 1.297 1.00 0.36 C ATOM 2429 C GLU A 156 -0.054 11.723 0.106 1.00 0.34 C ATOM 2430 O GLU A 156 0.359 11.970 -1.034 1.00 0.38 O ATOM 2431 CB GLU A 156 1.449 13.102 1.552 1.00 0.53 C ATOM 2432 CG GLU A 156 1.920 13.357 2.989 1.00 0.73 C ATOM 2433 CD GLU A 156 2.565 14.722 3.151 1.00 1.26 C ATOM 2434 OE1 GLU A 156 1.826 15.706 3.369 1.00 1.67 O ATOM 2435 OE2 GLU A 156 3.807 14.807 3.061 1.00 1.66 O ATOM 0 H GLU A 156 2.601 10.959 0.310 1.00 0.28 H new ATOM 0 HA GLU A 156 0.329 11.349 2.166 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.285 13.277 0.874 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.678 13.831 1.302 1.00 0.53 H new ATOM 0 HG2 GLU A 156 1.070 13.276 3.667 1.00 0.73 H new ATOM 0 HG3 GLU A 156 2.633 12.584 3.278 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.339 11.479 0.389 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.363 11.498 -0.657 1.00 0.40 C ATOM 2444 C PHE A 157 -3.389 12.614 -0.436 1.00 0.41 C ATOM 2445 O PHE A 157 -3.889 12.851 0.687 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.072 10.130 -0.866 1.00 0.51 C ATOM 2447 CG PHE A 157 -2.954 9.121 0.276 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -1.818 8.320 0.398 1.00 0.99 C ATOM 2449 CD2 PHE A 157 -3.982 8.948 1.199 1.00 1.03 C ATOM 2450 CE1 PHE A 157 -1.712 7.386 1.410 1.00 1.55 C ATOM 2451 CE2 PHE A 157 -3.880 8.006 2.210 1.00 1.60 C ATOM 2452 CZ PHE A 157 -2.747 7.227 2.315 1.00 1.80 C ATOM 0 H PHE A 157 -1.690 11.269 1.323 1.00 0.35 H new ATOM 0 HA PHE A 157 -1.821 11.707 -1.579 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.130 10.318 -1.048 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.670 9.672 -1.770 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -1.010 8.432 -0.309 1.00 0.99 H new ATOM 0 HD2 PHE A 157 -4.871 9.557 1.126 1.00 1.03 H new ATOM 0 HE1 PHE A 157 -0.822 6.780 1.495 1.00 1.55 H new ATOM 0 HE2 PHE A 157 -4.688 7.882 2.916 1.00 1.60 H new ATOM 0 HZ PHE A 157 -2.667 6.493 3.103 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.670 13.290 -1.565 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.605 14.449 -1.639 1.00 0.46 C ATOM 2464 C VAL A 158 -5.955 13.986 -2.301 1.00 0.48 C ATOM 2465 O VAL A 158 -5.974 13.218 -3.280 1.00 0.47 O ATOM 2466 CB VAL A 158 -3.957 15.730 -2.405 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.755 17.051 -2.211 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.504 16.042 -1.969 1.00 0.58 C ATOM 0 H VAL A 158 -3.255 13.052 -2.466 1.00 0.43 H new ATOM 0 HA VAL A 158 -4.807 14.792 -0.624 1.00 0.46 H new ATOM 0 HB VAL A 158 -3.989 15.417 -3.448 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.260 17.858 -2.752 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.767 16.924 -2.595 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.798 17.298 -1.150 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.137 16.907 -2.520 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.483 16.257 -0.901 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -1.868 15.182 -2.179 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.063 14.513 -1.737 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.451 14.199 -2.155 1.00 0.56 C ATOM 2480 C LYS A 159 -9.028 15.137 -3.252 1.00 0.66 C ATOM 2481 O LYS A 159 -8.674 16.319 -3.347 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.381 14.197 -0.900 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.831 15.593 -0.367 1.00 1.06 C ATOM 2484 CD LYS A 159 -8.653 16.496 0.066 1.00 1.48 C ATOM 2485 CE LYS A 159 -9.135 17.836 0.649 1.00 1.63 C ATOM 2486 NZ LYS A 159 -9.901 18.629 -0.351 1.00 2.18 N ATOM 0 H LYS A 159 -7.020 15.179 -0.966 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.414 13.212 -2.615 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.274 13.618 -1.137 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -8.866 13.673 -0.094 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -10.403 16.102 -1.143 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -10.501 15.451 0.481 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -8.050 15.974 0.809 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -8.008 16.685 -0.792 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -9.761 17.649 1.521 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -8.276 18.414 0.991 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -10.092 19.577 0.031 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -9.346 18.713 -1.226 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -10.801 18.151 -0.557 1.00 2.18 H new ATOM 2500 N GLY A 160 -9.936 14.565 -4.062 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.607 15.304 -5.144 1.00 0.93 C ATOM 2502 C GLY A 160 -12.059 15.727 -4.826 1.00 0.96 C ATOM 2503 O GLY A 160 -12.499 16.790 -5.271 1.00 1.02 O ATOM 0 H GLY A 160 -10.222 13.589 -3.986 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -10.024 16.196 -5.374 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.610 14.686 -6.042 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.798 14.889 -4.059 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.195 15.189 -3.677 1.00 1.02 C ATOM 2509 C TYR A 161 -14.416 15.119 -2.141 1.00 1.05 C ATOM 2510 O TYR A 161 -14.295 16.137 -1.455 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.169 14.244 -4.416 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.507 14.679 -5.849 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -14.735 14.250 -6.935 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -16.598 15.515 -6.118 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -15.040 14.640 -8.230 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -16.901 15.903 -7.414 1.00 2.26 C ATOM 2517 CZ TYR A 161 -16.123 15.480 -8.455 1.00 2.29 C ATOM 2518 OH TYR A 161 -16.421 15.850 -9.747 1.00 2.86 O ATOM 0 H TYR A 161 -12.449 14.003 -3.695 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.400 16.216 -3.979 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.735 13.245 -4.445 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -16.093 14.174 -3.843 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -13.887 13.604 -6.761 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -17.214 15.863 -5.302 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -14.440 14.293 -9.058 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -17.753 16.540 -7.601 1.00 2.26 H new ATOM 0 HH TYR A 161 -17.205 16.438 -9.746 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.740 13.916 -1.613 1.00 1.09 N ATOM 2529 CA TYR A 162 -14.983 13.708 -0.161 1.00 1.17 C ATOM 2530 C TYR A 162 -14.198 12.496 0.390 1.00 1.10 C ATOM 2531 O TYR A 162 -13.493 12.613 1.395 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.488 13.513 0.117 1.00 1.54 C ATOM 2533 CG TYR A 162 -17.325 14.798 0.019 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -17.386 15.697 1.088 1.00 2.00 C ATOM 2535 CD2 TYR A 162 -18.053 15.112 -1.136 1.00 2.57 C ATOM 2536 CE1 TYR A 162 -18.140 16.858 1.008 1.00 2.64 C ATOM 2537 CE2 TYR A 162 -18.806 16.274 -1.214 1.00 3.18 C ATOM 2538 CZ TYR A 162 -18.845 17.138 -0.141 1.00 3.16 C ATOM 2539 OH TYR A 162 -19.593 18.289 -0.219 1.00 3.91 O ATOM 0 H TYR A 162 -14.840 13.069 -2.172 1.00 1.09 H new ATOM 0 HA TYR A 162 -14.630 14.604 0.350 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.883 12.782 -0.588 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.609 13.091 1.115 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -16.836 15.483 1.993 1.00 2.00 H new ATOM 0 HD2 TYR A 162 -18.027 14.438 -1.980 1.00 2.57 H new ATOM 0 HE1 TYR A 162 -18.174 17.540 1.844 1.00 2.64 H new ATOM 0 HE2 TYR A 162 -19.360 16.501 -2.113 1.00 3.18 H new ATOM 0 HH TYR A 162 -20.028 18.338 -1.096 1.00 3.91 H new ATOM 2549 N ASP A 163 -14.334 11.328 -0.289 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.641 10.066 0.075 1.00 0.99 C ATOM 2551 C ASP A 163 -12.342 9.895 -0.723 1.00 1.06 C ATOM 2552 O ASP A 163 -12.339 9.876 -1.952 1.00 1.74 O ATOM 2553 CB ASP A 163 -14.567 8.863 -0.174 1.00 1.11 C ATOM 2554 CG ASP A 163 -15.185 8.312 1.109 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -14.522 7.496 1.784 1.00 1.27 O ATOM 2556 OD2 ASP A 163 -16.327 8.700 1.435 1.00 1.34 O ATOM 0 H ASP A 163 -14.932 11.236 -1.110 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.388 10.116 1.134 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -15.363 9.159 -0.857 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -14.002 8.072 -0.668 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.244 9.759 0.043 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.855 9.556 -0.461 1.00 0.83 C ATOM 2563 C ASN A 164 -9.610 8.041 -0.811 1.00 1.01 C ATOM 2564 O ASN A 164 -10.591 7.285 -0.893 1.00 1.68 O ATOM 2565 CB ASN A 164 -8.930 10.011 0.689 1.00 1.02 C ATOM 2566 CG ASN A 164 -7.970 11.146 0.351 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.605 11.362 -0.804 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.552 11.867 1.389 1.00 0.82 N ATOM 0 H ASN A 164 -11.290 9.787 1.062 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.667 10.121 -1.374 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -9.551 10.322 1.529 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.347 9.153 1.024 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -6.900 12.638 1.245 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -7.884 11.648 2.328 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.336 7.541 -1.089 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.081 6.068 -1.313 1.00 1.06 C ATOM 2577 C PRO A 165 -8.415 5.235 -0.047 1.00 0.93 C ATOM 2578 O PRO A 165 -7.642 5.183 0.916 1.00 1.76 O ATOM 2579 CB PRO A 165 -6.575 6.011 -1.628 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.269 7.370 -2.183 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.099 8.322 -1.344 1.00 1.41 C ATOM 0 HA PRO A 165 -8.701 5.650 -2.106 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -5.988 5.804 -0.734 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -6.347 5.225 -2.348 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.206 7.599 -2.107 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.535 7.436 -3.238 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -6.592 8.592 -0.417 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.309 9.251 -1.874 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.629 4.619 -0.096 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.277 3.859 1.015 1.00 0.47 C ATOM 2591 C LYS A 166 -9.446 2.682 1.627 1.00 0.42 C ATOM 2592 O LYS A 166 -9.237 2.670 2.844 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.661 3.381 0.522 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.691 3.038 1.632 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.396 4.285 2.218 1.00 1.83 C ATOM 2596 CE LYS A 166 -14.431 3.911 3.293 1.00 2.33 C ATOM 2597 NZ LYS A 166 -13.810 3.173 4.427 1.00 3.00 N ATOM 0 H LYS A 166 -10.204 4.638 -0.938 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.363 4.549 1.854 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -12.086 4.156 -0.115 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -11.519 2.498 -0.101 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -13.443 2.362 1.224 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.184 2.504 2.436 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -12.651 4.953 2.649 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -13.889 4.833 1.415 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -14.909 4.816 3.667 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -15.214 3.298 2.846 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -14.097 2.174 4.390 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -12.774 3.238 4.358 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -14.124 3.590 5.326 1.00 3.00 H new ATOM 2611 N VAL A 167 -8.979 1.701 0.805 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.121 0.598 1.346 1.00 0.38 C ATOM 2613 C VAL A 167 -6.647 0.850 0.896 1.00 0.34 C ATOM 2614 O VAL A 167 -6.357 0.979 -0.306 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.621 -0.885 0.928 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -7.812 -2.040 1.593 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.104 -1.151 1.270 1.00 0.58 C ATOM 0 H VAL A 167 -9.170 1.646 -0.196 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.196 0.620 2.433 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.463 -0.888 -0.151 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.209 -3.000 1.262 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -6.763 -1.962 1.305 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -7.897 -1.967 2.677 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.372 -2.162 0.963 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.254 -1.046 2.344 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.733 -0.433 0.744 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.746 0.784 1.900 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.308 1.021 1.708 1.00 0.35 C ATOM 2629 C CYS A 168 -3.477 -0.046 2.450 1.00 0.36 C ATOM 2630 O CYS A 168 -3.439 -0.088 3.681 1.00 0.48 O ATOM 2631 CB CYS A 168 -3.977 2.415 2.227 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.518 3.175 1.477 1.00 0.87 S ATOM 0 H CYS A 168 -6.000 0.565 2.863 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.061 0.952 0.649 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.836 3.064 2.057 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.827 2.360 3.305 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.707 3.308 0.198 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.771 -0.871 1.656 1.00 0.29 N ATOM 2639 CA ALA A 169 -1.976 -2.042 2.122 1.00 0.29 C ATOM 2640 C ALA A 169 -0.415 -1.913 2.036 1.00 0.25 C ATOM 2641 O ALA A 169 0.273 -2.747 1.398 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.502 -3.339 1.501 1.00 0.34 C ATOM 0 H ALA A 169 -2.731 -0.746 0.644 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.140 -2.071 3.199 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.906 -4.180 1.856 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.543 -3.484 1.789 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.432 -3.277 0.415 1.00 0.34 H new ATOM 2648 N LEU A 170 0.126 -0.759 2.517 1.00 0.22 N ATOM 2649 CA LEU A 170 1.599 -0.421 2.558 1.00 0.21 C ATOM 2650 C LEU A 170 2.574 -1.551 2.995 1.00 0.19 C ATOM 2651 O LEU A 170 2.361 -2.239 3.996 1.00 0.34 O ATOM 2652 CB LEU A 170 1.818 0.740 3.547 1.00 0.31 C ATOM 2653 CG LEU A 170 2.205 2.147 2.984 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.435 2.112 2.056 1.00 0.50 C ATOM 2655 CD2 LEU A 170 1.031 2.800 2.252 1.00 0.70 C ATOM 0 H LEU A 170 -0.455 -0.012 2.899 1.00 0.22 H new ATOM 0 HA LEU A 170 1.837 -0.193 1.519 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.902 0.857 4.126 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.600 0.437 4.244 1.00 0.31 H new ATOM 0 HG LEU A 170 2.467 2.746 3.856 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.651 3.119 1.700 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.295 1.730 2.606 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.230 1.462 1.205 1.00 0.50 H new ATOM 0 HD21 LEU A 170 1.335 3.776 1.874 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.725 2.168 1.419 1.00 0.70 H new ATOM 0 HD23 LEU A 170 0.195 2.922 2.941 1.00 0.70 H new ATOM 2667 N PHE A 171 3.621 -1.725 2.190 1.00 0.16 N ATOM 2668 CA PHE A 171 4.662 -2.719 2.435 1.00 0.14 C ATOM 2669 C PHE A 171 5.997 -2.228 1.838 1.00 0.14 C ATOM 2670 O PHE A 171 6.180 -2.263 0.617 1.00 0.19 O ATOM 2671 CB PHE A 171 4.240 -4.099 1.813 1.00 0.17 C ATOM 2672 CG PHE A 171 5.355 -5.153 1.657 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.367 -5.278 2.608 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.397 -6.003 0.547 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.372 -6.199 2.459 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.414 -6.935 0.405 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.404 -7.024 1.367 1.00 0.17 C ATOM 0 H PHE A 171 3.771 -1.176 1.344 1.00 0.16 H new ATOM 0 HA PHE A 171 4.793 -2.856 3.508 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.451 -4.526 2.433 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.807 -3.912 0.830 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.359 -4.638 3.478 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.628 -5.933 -0.208 1.00 0.20 H new ATOM 0 HE1 PHE A 171 8.145 -6.274 3.210 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.433 -7.589 -0.454 1.00 0.21 H new ATOM 0 HZ PHE A 171 8.202 -7.744 1.257 1.00 0.17 H new ATOM 2687 N ILE A 172 6.936 -1.779 2.695 1.00 0.10 N ATOM 2688 CA ILE A 172 8.258 -1.382 2.193 1.00 0.10 C ATOM 2689 C ILE A 172 9.379 -2.368 2.704 1.00 0.08 C ATOM 2690 O ILE A 172 9.601 -2.559 3.937 1.00 0.08 O ATOM 2691 CB ILE A 172 8.645 0.175 2.348 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.924 0.488 1.460 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.834 0.643 3.827 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.063 1.917 0.912 1.00 0.31 C ATOM 0 H ILE A 172 6.808 -1.686 3.703 1.00 0.10 H new ATOM 0 HA ILE A 172 8.186 -1.483 1.110 1.00 0.10 H new ATOM 0 HB ILE A 172 7.796 0.756 1.988 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.811 0.266 2.054 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.926 -0.200 0.615 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.093 1.702 3.843 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.907 0.487 4.379 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.634 0.067 4.292 1.00 0.22 H new ATOM 0 HD11 ILE A 172 10.978 1.994 0.324 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.206 2.150 0.281 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.104 2.622 1.742 1.00 0.31 H new ATOM 2706 N MET A 173 10.070 -2.954 1.719 1.00 0.09 N ATOM 2707 CA MET A 173 11.163 -3.916 1.960 1.00 0.11 C ATOM 2708 C MET A 173 12.520 -3.366 1.437 1.00 0.13 C ATOM 2709 O MET A 173 12.542 -2.413 0.641 1.00 0.21 O ATOM 2710 CB MET A 173 10.837 -5.282 1.322 1.00 0.15 C ATOM 2711 CG MET A 173 10.350 -5.237 -0.147 1.00 0.17 C ATOM 2712 SD MET A 173 11.692 -5.093 -1.354 1.00 0.44 S ATOM 2713 CE MET A 173 12.703 -6.526 -0.977 1.00 0.26 C ATOM 0 H MET A 173 9.891 -2.778 0.731 1.00 0.09 H new ATOM 0 HA MET A 173 11.256 -4.057 3.037 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.728 -5.907 1.371 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.071 -5.770 1.925 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.778 -6.140 -0.359 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.671 -4.393 -0.270 1.00 0.17 H new ATOM 0 HE1 MET A 173 13.030 -6.995 -1.905 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.574 -6.215 -0.401 1.00 0.26 H new ATOM 0 HE3 MET A 173 12.120 -7.240 -0.396 1.00 0.26 H new ATOM 2723 N LYS A 174 13.655 -3.961 1.858 1.00 0.12 N ATOM 2724 CA LYS A 174 14.958 -3.432 1.422 1.00 0.19 C ATOM 2725 C LYS A 174 15.918 -4.404 0.685 1.00 0.16 C ATOM 2726 O LYS A 174 15.881 -5.632 0.810 1.00 0.17 O ATOM 2727 CB LYS A 174 15.699 -2.756 2.619 1.00 0.38 C ATOM 2728 CG LYS A 174 16.478 -3.724 3.545 1.00 0.54 C ATOM 2729 CD LYS A 174 17.231 -3.013 4.704 1.00 0.57 C ATOM 2730 CE LYS A 174 18.568 -2.379 4.263 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.498 -3.386 3.679 1.00 1.26 N ATOM 0 H LYS A 174 13.696 -4.774 2.473 1.00 0.12 H new ATOM 0 HA LYS A 174 14.686 -2.709 0.653 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.396 -2.017 2.223 1.00 0.38 H new ATOM 0 HB3 LYS A 174 14.968 -2.215 3.219 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.781 -4.448 3.967 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.197 -4.285 2.947 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.590 -2.238 5.123 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.423 -3.733 5.500 1.00 0.57 H new ATOM 0 HE2 LYS A 174 18.374 -1.597 3.529 1.00 0.49 H new ATOM 0 HE3 LYS A 174 19.043 -1.901 5.120 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.468 -3.012 3.694 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 19.456 -4.262 4.237 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.220 -3.587 2.697 1.00 1.26 H new ATOM 2745 N GLY A 175 16.776 -3.726 -0.077 1.00 0.14 N ATOM 2746 CA GLY A 175 17.907 -4.273 -0.832 1.00 0.15 C ATOM 2747 C GLY A 175 17.780 -4.422 -2.361 1.00 0.13 C ATOM 2748 O GLY A 175 18.693 -3.925 -3.033 1.00 0.17 O ATOM 0 H GLY A 175 16.696 -2.716 -0.192 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.772 -3.641 -0.633 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.131 -5.258 -0.422 1.00 0.15 H new ATOM 2752 N THR A 176 16.610 -4.886 -2.929 1.00 0.11 N ATOM 2753 CA THR A 176 16.439 -5.068 -4.425 1.00 0.10 C ATOM 2754 C THR A 176 15.016 -5.531 -4.830 1.00 0.10 C ATOM 2755 O THR A 176 14.254 -6.076 -4.026 1.00 0.13 O ATOM 2756 CB THR A 176 17.429 -6.108 -5.103 1.00 0.12 C ATOM 2757 OG1 THR A 176 17.968 -7.062 -4.167 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.588 -5.437 -5.880 1.00 0.15 C ATOM 0 H THR A 176 15.784 -5.137 -2.386 1.00 0.11 H new ATOM 0 HA THR A 176 16.658 -4.063 -4.785 1.00 0.10 H new ATOM 0 HB THR A 176 16.805 -6.641 -5.821 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.568 -7.678 -4.637 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.226 -6.205 -6.317 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.180 -4.810 -6.672 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.176 -4.823 -5.198 1.00 0.15 H new ATOM 2766 N ALA A 177 14.688 -5.306 -6.142 1.00 0.10 N ATOM 2767 CA ALA A 177 13.400 -5.721 -6.787 1.00 0.11 C ATOM 2768 C ALA A 177 13.382 -7.220 -7.279 1.00 0.15 C ATOM 2769 O ALA A 177 12.312 -7.777 -7.571 1.00 0.17 O ATOM 2770 CB ALA A 177 13.085 -4.758 -7.958 1.00 0.15 C ATOM 0 H ALA A 177 15.317 -4.827 -6.786 1.00 0.10 H new ATOM 0 HA ALA A 177 12.627 -5.659 -6.021 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.149 -5.055 -8.431 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.993 -3.741 -7.578 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.891 -4.800 -8.690 1.00 0.15 H new ATOM 2776 N ASP A 178 14.578 -7.878 -7.339 1.00 0.19 N ATOM 2777 CA ASP A 178 14.720 -9.306 -7.759 1.00 0.24 C ATOM 2778 C ASP A 178 14.557 -10.347 -6.594 1.00 0.26 C ATOM 2779 O ASP A 178 14.699 -11.553 -6.820 1.00 0.31 O ATOM 2780 CB ASP A 178 16.086 -9.516 -8.432 1.00 0.31 C ATOM 2781 CG ASP A 178 16.033 -9.395 -9.952 1.00 0.42 C ATOM 2782 OD1 ASP A 178 16.194 -8.267 -10.463 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.831 -10.429 -10.624 1.00 0.55 O ATOM 0 H ASP A 178 15.465 -7.436 -7.099 1.00 0.19 H new ATOM 0 HA ASP A 178 13.901 -9.491 -8.454 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.793 -8.785 -8.040 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.467 -10.502 -8.166 1.00 0.31 H new ATOM 2788 N ASP A 179 14.250 -9.867 -5.364 1.00 0.24 N ATOM 2789 CA ASP A 179 14.061 -10.735 -4.171 1.00 0.31 C ATOM 2790 C ASP A 179 12.574 -10.862 -3.715 1.00 0.32 C ATOM 2791 O ASP A 179 12.272 -11.685 -2.850 1.00 0.44 O ATOM 2792 CB ASP A 179 14.912 -10.217 -3.002 1.00 0.37 C ATOM 2793 CG ASP A 179 16.297 -10.853 -2.944 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.225 -10.318 -3.588 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.448 -11.883 -2.253 1.00 0.60 O ATOM 0 H ASP A 179 14.127 -8.873 -5.169 1.00 0.24 H new ATOM 0 HA ASP A 179 14.384 -11.732 -4.470 1.00 0.31 H new ATOM 0 HB2 ASP A 179 15.018 -9.136 -3.089 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.390 -10.412 -2.065 1.00 0.37 H new ATOM 2800 N VAL A 180 11.663 -10.029 -4.289 1.00 0.24 N ATOM 2801 CA VAL A 180 10.188 -10.053 -3.978 1.00 0.29 C ATOM 2802 C VAL A 180 9.383 -11.038 -4.914 1.00 0.50 C ATOM 2803 O VAL A 180 8.997 -10.643 -6.020 1.00 0.95 O ATOM 2804 CB VAL A 180 9.446 -8.620 -4.022 1.00 0.27 C ATOM 2805 CG1 VAL A 180 9.283 -8.035 -2.612 1.00 0.48 C ATOM 2806 CG2 VAL A 180 10.101 -7.534 -4.930 1.00 0.50 C ATOM 0 H VAL A 180 11.919 -9.322 -4.978 1.00 0.24 H new ATOM 0 HA VAL A 180 10.177 -10.403 -2.946 1.00 0.29 H new ATOM 0 HB VAL A 180 8.483 -8.856 -4.475 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.780 -7.070 -2.674 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.688 -8.715 -2.002 1.00 0.48 H new ATOM 0 HG13 VAL A 180 10.265 -7.904 -2.157 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.516 -6.616 -4.879 1.00 0.50 H new ATOM 0 HG22 VAL A 180 11.116 -7.336 -4.586 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.129 -7.890 -5.960 1.00 0.50 H new