USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 828 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 42 MET CE :methyl -106:sc= -0.211 (180deg=-0.0922) USER MOD Set 1.2: A 56 ASN : amide:sc= -6.27! C(o=-6.5!,f=-5.4!) USER MOD Set 2.1: A 13 GLN : amide:sc= -3.94! C(o=-3.9!,f=-2.2!) USER MOD Set 2.2: A 115 THR OG1 : rot -83:sc= -0.0105 USER MOD Single : A 10 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.33) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -6:sc= 1.08 USER MOD Single : A 25 SER OG : rot 29:sc= 0.376 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -148:sc= -1.52 (180deg=-2.84!) USER MOD Single : A 33 THR OG1 : rot 170:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0891 K(o=-0.089,f=-1.7) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0.011 (180deg=0.00387) USER MOD Single : A 61 HIS : no HD1:sc= -2.2 X(o=-2.2,f=-2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 37:sc= 0.442 USER MOD Single : A 69 SER OG : rot 120:sc= -0.719 USER MOD Single : A 76 ASN : amide:sc= -0.245 K(o=-0.25,f=-1) USER MOD Single : A 80 SER OG : rot 180:sc= -0.686 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.46) USER MOD Single : A 87 THR OG1 : rot -76:sc= 0.16 USER MOD Single : A 93 THR OG1 : rot -33:sc= 0.357 USER MOD Single : A 94 TYR OH : rot -38:sc= 1.21 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 123:sc= 1.21 (180deg=-0.0939) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 151:sc= 0.975 (180deg=0.424) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 69:sc= 0.778 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -6.676 26.378 -4.994 1.00 0.00 N ATOM 67 CA GLU A 8 -7.116 25.799 -3.729 1.00 0.00 C ATOM 68 C GLU A 8 -6.532 24.402 -3.539 1.00 0.00 C ATOM 69 O GLU A 8 -6.529 23.587 -4.462 1.00 0.00 O ATOM 70 CB GLU A 8 -8.644 25.737 -3.675 1.00 0.00 C ATOM 71 CG GLU A 8 -9.179 24.944 -2.494 1.00 0.00 C ATOM 72 CD GLU A 8 -9.309 25.784 -1.238 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.014 26.814 -1.283 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.707 25.410 -0.210 1.00 0.00 O ATOM 0 HA GLU A 8 -6.757 26.437 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.039 26.752 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.014 25.292 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.153 24.529 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.516 24.102 -2.296 1.00 0.00 H new ATOM 81 N LEU A 9 -6.039 24.133 -2.335 1.00 0.00 N ATOM 82 CA LEU A 9 -5.452 22.834 -2.022 1.00 0.00 C ATOM 83 C LEU A 9 -6.309 21.701 -2.576 1.00 0.00 C ATOM 84 O LEU A 9 -7.519 21.850 -2.740 1.00 0.00 O ATOM 85 CB LEU A 9 -5.293 22.676 -0.509 1.00 0.00 C ATOM 86 CG LEU A 9 -4.926 21.276 -0.015 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.108 21.359 1.264 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.179 20.442 0.204 1.00 0.00 C ATOM 0 H LEU A 9 -6.034 24.796 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.470 22.784 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.526 23.372 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.227 22.974 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.319 20.789 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.856 20.353 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.192 21.918 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.689 21.865 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.898 19.449 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.812 20.925 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.726 20.354 -0.735 1.00 0.00 H new ATOM 100 N GLN A 10 -5.673 20.569 -2.861 1.00 0.00 N ATOM 101 CA GLN A 10 -6.378 19.410 -3.395 1.00 0.00 C ATOM 102 C GLN A 10 -5.525 18.152 -3.276 1.00 0.00 C ATOM 103 O GLN A 10 -4.298 18.211 -3.353 1.00 0.00 O ATOM 104 CB GLN A 10 -6.757 19.648 -4.858 1.00 0.00 C ATOM 105 CG GLN A 10 -7.124 18.376 -5.605 1.00 0.00 C ATOM 106 CD GLN A 10 -8.437 17.781 -5.135 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.442 18.481 -5.017 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.434 16.481 -4.864 1.00 0.00 N ATOM 0 H GLN A 10 -4.671 20.430 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.287 19.267 -2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.599 20.339 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.923 20.131 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.188 18.591 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.329 17.641 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.577 15.939 -4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.288 16.025 -4.544 1.00 0.00 H new ATOM 117 N VAL A 11 -6.183 17.012 -3.088 1.00 0.00 N ATOM 118 CA VAL A 11 -5.485 15.739 -2.959 1.00 0.00 C ATOM 119 C VAL A 11 -5.167 15.146 -4.327 1.00 0.00 C ATOM 120 O VAL A 11 -6.066 14.895 -5.131 1.00 0.00 O ATOM 121 CB VAL A 11 -6.316 14.723 -2.153 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.614 13.374 -2.109 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.575 15.243 -0.747 1.00 0.00 C ATOM 0 H VAL A 11 -7.199 16.945 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.555 15.940 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.277 14.590 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.216 12.669 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.484 12.998 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.638 13.487 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.163 14.513 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.625 15.406 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.123 16.184 -0.802 1.00 0.00 H new ATOM 133 N ILE A 12 -3.882 14.923 -4.585 1.00 0.00 N ATOM 134 CA ILE A 12 -3.445 14.358 -5.855 1.00 0.00 C ATOM 135 C ILE A 12 -2.988 12.914 -5.686 1.00 0.00 C ATOM 136 O ILE A 12 -1.971 12.646 -5.046 1.00 0.00 O ATOM 137 CB ILE A 12 -2.297 15.180 -6.472 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.766 16.605 -6.772 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.784 14.507 -7.736 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.908 16.670 -7.762 1.00 0.00 C ATOM 0 H ILE A 12 -3.126 15.125 -3.931 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.304 14.388 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.478 15.231 -5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.075 17.080 -5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.926 17.181 -7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.973 15.099 -8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.416 13.510 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.594 14.429 -8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.188 17.710 -7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.596 16.224 -8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.764 16.122 -7.367 1.00 0.00 H new ATOM 152 N GLN A 13 -3.744 11.987 -6.266 1.00 0.00 N ATOM 153 CA GLN A 13 -3.415 10.569 -6.180 1.00 0.00 C ATOM 154 C GLN A 13 -3.207 9.973 -7.568 1.00 0.00 C ATOM 155 O GLN A 13 -4.142 9.495 -8.211 1.00 0.00 O ATOM 156 CB GLN A 13 -4.523 9.811 -5.447 1.00 0.00 C ATOM 157 CG GLN A 13 -4.493 9.997 -3.938 1.00 0.00 C ATOM 158 CD GLN A 13 -5.022 8.789 -3.190 1.00 0.00 C ATOM 159 OE1 GLN A 13 -4.521 8.439 -2.121 1.00 0.00 O ATOM 160 NE2 GLN A 13 -6.039 8.146 -3.749 1.00 0.00 N ATOM 0 H GLN A 13 -4.588 12.193 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.485 10.471 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.490 10.142 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.437 8.749 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.469 10.196 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.085 10.872 -3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.423 8.472 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.437 7.326 -3.292 1.00 0.00 H new ATOM 169 N PRO A 14 -1.953 10.002 -8.043 1.00 0.00 N ATOM 170 CA PRO A 14 -1.594 9.469 -9.361 1.00 0.00 C ATOM 171 C PRO A 14 -1.683 7.948 -9.414 1.00 0.00 C ATOM 172 O PRO A 14 -2.024 7.373 -10.448 1.00 0.00 O ATOM 173 CB PRO A 14 -0.144 9.926 -9.544 1.00 0.00 C ATOM 174 CG PRO A 14 0.378 10.097 -8.160 1.00 0.00 C ATOM 175 CD PRO A 14 -0.790 10.557 -7.331 1.00 0.00 C ATOM 0 HA PRO A 14 -2.269 9.821 -10.141 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.437 9.188 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.091 10.859 -10.105 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.783 9.160 -7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.186 10.828 -8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.729 10.184 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.837 11.644 -7.271 1.00 0.00 H new ATOM 183 N GLU A 15 -1.376 7.301 -8.294 1.00 0.00 N ATOM 184 CA GLU A 15 -1.422 5.846 -8.215 1.00 0.00 C ATOM 185 C GLU A 15 -2.863 5.352 -8.120 1.00 0.00 C ATOM 186 O GLU A 15 -3.322 4.942 -7.054 1.00 0.00 O ATOM 187 CB GLU A 15 -0.622 5.353 -7.008 1.00 0.00 C ATOM 188 CG GLU A 15 0.873 5.265 -7.264 1.00 0.00 C ATOM 189 CD GLU A 15 1.252 4.060 -8.103 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.884 2.930 -7.720 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.917 4.248 -9.144 1.00 0.00 O ATOM 0 H GLU A 15 -1.093 7.762 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.977 5.444 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.799 6.023 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.991 4.370 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.205 6.173 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.399 5.219 -6.310 1.00 0.00 H new ATOM 198 N LYS A 16 -3.572 5.394 -9.243 1.00 0.00 N ATOM 199 CA LYS A 16 -4.960 4.951 -9.289 1.00 0.00 C ATOM 200 C LYS A 16 -5.181 3.756 -8.366 1.00 0.00 C ATOM 201 O LYS A 16 -6.061 3.778 -7.507 1.00 0.00 O ATOM 202 CB LYS A 16 -5.352 4.581 -10.721 1.00 0.00 C ATOM 203 CG LYS A 16 -6.850 4.620 -10.972 1.00 0.00 C ATOM 204 CD LYS A 16 -7.353 6.045 -11.126 1.00 0.00 C ATOM 205 CE LYS A 16 -8.780 6.079 -11.651 1.00 0.00 C ATOM 206 NZ LYS A 16 -9.385 7.434 -11.526 1.00 0.00 N ATOM 0 H LYS A 16 -3.208 5.731 -10.134 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.589 5.773 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.859 5.265 -11.412 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.981 3.580 -10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.084 4.052 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.371 4.137 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.306 6.554 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.700 6.591 -11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.790 5.772 -12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.386 5.359 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.357 7.415 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.399 7.717 -10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.821 8.117 -12.071 1.00 0.00 H new ATOM 220 N SER A 17 -4.375 2.716 -8.550 1.00 0.00 N ATOM 221 CA SER A 17 -4.484 1.511 -7.735 1.00 0.00 C ATOM 222 C SER A 17 -3.112 0.880 -7.513 1.00 0.00 C ATOM 223 O SER A 17 -2.265 0.877 -8.405 1.00 0.00 O ATOM 224 CB SER A 17 -5.419 0.501 -8.403 1.00 0.00 C ATOM 225 OG SER A 17 -4.768 -0.172 -9.466 1.00 0.00 O ATOM 0 H SER A 17 -3.639 2.683 -9.256 1.00 0.00 H new ATOM 0 HA SER A 17 -4.897 1.793 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.762 -0.224 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.303 1.014 -8.781 1.00 0.00 H new ATOM 0 HG SER A 17 -5.386 -0.813 -9.875 1.00 0.00 H new ATOM 231 N VAL A 18 -2.902 0.346 -6.314 1.00 0.00 N ATOM 232 CA VAL A 18 -1.635 -0.289 -5.972 1.00 0.00 C ATOM 233 C VAL A 18 -1.720 -1.804 -6.124 1.00 0.00 C ATOM 234 O VAL A 18 -2.787 -2.395 -5.959 1.00 0.00 O ATOM 235 CB VAL A 18 -1.209 0.048 -4.530 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.130 -0.596 -4.205 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.148 1.554 -4.331 1.00 0.00 C ATOM 0 H VAL A 18 -3.593 0.341 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.889 0.101 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.955 -0.356 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.415 -0.347 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.047 -1.678 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.889 -0.225 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.846 1.774 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.424 1.983 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.131 1.986 -4.520 1.00 0.00 H new ATOM 247 N SER A 19 -0.589 -2.426 -6.439 1.00 0.00 N ATOM 248 CA SER A 19 -0.536 -3.872 -6.617 1.00 0.00 C ATOM 249 C SER A 19 0.617 -4.476 -5.822 1.00 0.00 C ATOM 250 O SER A 19 1.787 -4.241 -6.127 1.00 0.00 O ATOM 251 CB SER A 19 -0.385 -4.220 -8.100 1.00 0.00 C ATOM 252 OG SER A 19 0.968 -4.128 -8.510 1.00 0.00 O ATOM 0 H SER A 19 0.303 -1.951 -6.576 1.00 0.00 H new ATOM 0 HA SER A 19 -1.470 -4.293 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.755 -5.230 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.997 -3.545 -8.699 1.00 0.00 H new ATOM 0 HG SER A 19 1.509 -3.770 -7.775 1.00 0.00 H new ATOM 258 N VAL A 20 0.279 -5.255 -4.800 1.00 0.00 N ATOM 259 CA VAL A 20 1.285 -5.895 -3.960 1.00 0.00 C ATOM 260 C VAL A 20 0.901 -7.335 -3.642 1.00 0.00 C ATOM 261 O VAL A 20 -0.100 -7.847 -4.143 1.00 0.00 O ATOM 262 CB VAL A 20 1.486 -5.125 -2.641 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.515 -4.019 -2.819 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.163 -4.559 -2.147 1.00 0.00 C ATOM 0 H VAL A 20 -0.684 -5.459 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 20 2.219 -5.888 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 20 1.861 -5.820 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.643 -3.486 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.467 -4.454 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.173 -3.323 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.324 -4.018 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.244 -3.879 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.541 -5.374 -1.977 1.00 0.00 H new ATOM 274 N ALA A 21 1.703 -7.985 -2.805 1.00 0.00 N ATOM 275 CA ALA A 21 1.446 -9.366 -2.417 1.00 0.00 C ATOM 276 C ALA A 21 1.501 -9.531 -0.902 1.00 0.00 C ATOM 277 O ALA A 21 2.334 -8.921 -0.232 1.00 0.00 O ATOM 278 CB ALA A 21 2.445 -10.297 -3.088 1.00 0.00 C ATOM 0 H ALA A 21 2.537 -7.577 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 21 0.441 -9.629 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.241 -11.325 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.354 -10.209 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.456 -10.025 -2.785 1.00 0.00 H new ATOM 284 N ALA A 22 0.608 -10.358 -0.368 1.00 0.00 N ATOM 285 CA ALA A 22 0.557 -10.603 1.067 1.00 0.00 C ATOM 286 C ALA A 22 1.958 -10.752 1.650 1.00 0.00 C ATOM 287 O ALA A 22 2.630 -11.758 1.427 1.00 0.00 O ATOM 288 CB ALA A 22 -0.273 -11.844 1.361 1.00 0.00 C ATOM 0 H ALA A 22 -0.090 -10.869 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 22 0.085 -9.742 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.303 -12.015 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.287 -11.700 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.176 -12.707 0.868 1.00 0.00 H new ATOM 294 N GLY A 23 2.394 -9.742 2.397 1.00 0.00 N ATOM 295 CA GLY A 23 3.714 -9.780 2.999 1.00 0.00 C ATOM 296 C GLY A 23 4.686 -8.832 2.324 1.00 0.00 C ATOM 297 O GLY A 23 5.871 -8.810 2.655 1.00 0.00 O ATOM 0 H GLY A 23 1.857 -8.898 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.636 -9.524 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.105 -10.796 2.945 1.00 0.00 H new ATOM 301 N GLU A 24 4.184 -8.049 1.375 1.00 0.00 N ATOM 302 CA GLU A 24 5.018 -7.097 0.651 1.00 0.00 C ATOM 303 C GLU A 24 4.783 -5.675 1.153 1.00 0.00 C ATOM 304 O GLU A 24 4.010 -5.455 2.086 1.00 0.00 O ATOM 305 CB GLU A 24 4.733 -7.173 -0.850 1.00 0.00 C ATOM 306 CG GLU A 24 5.069 -8.521 -1.466 1.00 0.00 C ATOM 307 CD GLU A 24 6.523 -8.904 -1.273 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.401 -8.185 -1.794 1.00 0.00 O ATOM 309 OE2 GLU A 24 6.783 -9.923 -0.600 1.00 0.00 O ATOM 0 H GLU A 24 3.205 -8.055 1.090 1.00 0.00 H new ATOM 0 HA GLU A 24 6.061 -7.359 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.679 -6.957 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.305 -6.397 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.433 -9.287 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.842 -8.496 -2.532 1.00 0.00 H new ATOM 316 N SER A 25 5.455 -4.714 0.528 1.00 0.00 N ATOM 317 CA SER A 25 5.323 -3.314 0.913 1.00 0.00 C ATOM 318 C SER A 25 4.577 -2.524 -0.158 1.00 0.00 C ATOM 319 O SER A 25 4.992 -2.480 -1.315 1.00 0.00 O ATOM 320 CB SER A 25 6.702 -2.696 1.150 1.00 0.00 C ATOM 321 OG SER A 25 7.494 -2.750 -0.024 1.00 0.00 O ATOM 0 H SER A 25 6.097 -4.879 -0.247 1.00 0.00 H new ATOM 0 HA SER A 25 4.749 -3.270 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.590 -1.660 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.207 -3.225 1.958 1.00 0.00 H new ATOM 0 HG SER A 25 6.912 -2.728 -0.812 1.00 0.00 H new ATOM 327 N ALA A 26 3.472 -1.900 0.238 1.00 0.00 N ATOM 328 CA ALA A 26 2.668 -1.110 -0.686 1.00 0.00 C ATOM 329 C ALA A 26 3.041 0.367 -0.614 1.00 0.00 C ATOM 330 O ALA A 26 3.533 0.845 0.409 1.00 0.00 O ATOM 331 CB ALA A 26 1.187 -1.297 -0.390 1.00 0.00 C ATOM 0 H ALA A 26 3.114 -1.927 1.193 1.00 0.00 H new ATOM 0 HA ALA A 26 2.872 -1.461 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.598 -0.701 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.924 -2.349 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.976 -0.975 0.630 1.00 0.00 H new ATOM 337 N THR A 27 2.805 1.086 -1.706 1.00 0.00 N ATOM 338 CA THR A 27 3.118 2.508 -1.768 1.00 0.00 C ATOM 339 C THR A 27 1.880 3.330 -2.110 1.00 0.00 C ATOM 340 O THR A 27 1.352 3.243 -3.219 1.00 0.00 O ATOM 341 CB THR A 27 4.216 2.797 -2.809 1.00 0.00 C ATOM 342 OG1 THR A 27 5.191 1.748 -2.797 1.00 0.00 O ATOM 343 CG2 THR A 27 4.893 4.129 -2.525 1.00 0.00 C ATOM 0 H THR A 27 2.398 0.707 -2.561 1.00 0.00 H new ATOM 0 HA THR A 27 3.479 2.795 -0.780 1.00 0.00 H new ATOM 0 HB THR A 27 3.749 2.847 -3.793 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.885 1.938 -3.463 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.665 4.312 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.153 4.929 -2.564 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.347 4.103 -1.534 1.00 0.00 H new ATOM 351 N LEU A 28 1.422 4.128 -1.151 1.00 0.00 N ATOM 352 CA LEU A 28 0.246 4.967 -1.352 1.00 0.00 C ATOM 353 C LEU A 28 0.649 6.398 -1.692 1.00 0.00 C ATOM 354 O LEU A 28 0.711 7.260 -0.815 1.00 0.00 O ATOM 355 CB LEU A 28 -0.632 4.956 -0.099 1.00 0.00 C ATOM 356 CG LEU A 28 -0.953 3.579 0.484 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.761 3.717 1.764 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.701 2.730 -0.533 1.00 0.00 C ATOM 0 H LEU A 28 1.847 4.211 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.321 4.561 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.138 5.548 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.571 5.457 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.014 3.079 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.980 2.727 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.188 4.286 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.695 4.237 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.921 1.754 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.633 3.225 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.085 2.602 -1.423 1.00 0.00 H new ATOM 370 N ARG A 29 0.920 6.643 -2.969 1.00 0.00 N ATOM 371 CA ARG A 29 1.316 7.970 -3.425 1.00 0.00 C ATOM 372 C ARG A 29 0.254 9.007 -3.069 1.00 0.00 C ATOM 373 O ARG A 29 -0.943 8.764 -3.225 1.00 0.00 O ATOM 374 CB ARG A 29 1.551 7.964 -4.937 1.00 0.00 C ATOM 375 CG ARG A 29 2.949 7.521 -5.334 1.00 0.00 C ATOM 376 CD ARG A 29 3.316 8.015 -6.725 1.00 0.00 C ATOM 377 NE ARG A 29 4.394 7.228 -7.318 1.00 0.00 N ATOM 378 CZ ARG A 29 5.137 7.649 -8.335 1.00 0.00 C ATOM 379 NH1 ARG A 29 4.920 8.843 -8.870 1.00 0.00 N ATOM 380 NH2 ARG A 29 6.100 6.875 -8.820 1.00 0.00 N ATOM 0 H ARG A 29 0.873 5.940 -3.707 1.00 0.00 H new ATOM 0 HA ARG A 29 2.244 8.238 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.823 7.303 -5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.372 8.966 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.671 7.899 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.009 6.433 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.438 7.970 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.618 9.061 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 29 4.587 6.305 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.181 9.441 -8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.492 9.164 -9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.270 5.956 -8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.670 7.199 -9.601 1.00 0.00 H new ATOM 394 N CYS A 30 0.701 10.162 -2.588 1.00 0.00 N ATOM 395 CA CYS A 30 -0.209 11.236 -2.208 1.00 0.00 C ATOM 396 C CYS A 30 0.529 12.569 -2.119 1.00 0.00 C ATOM 397 O CYS A 30 1.627 12.646 -1.570 1.00 0.00 O ATOM 398 CB CYS A 30 -0.874 10.919 -0.867 1.00 0.00 C ATOM 399 SG CYS A 30 -2.025 12.205 -0.285 1.00 0.00 S ATOM 0 H CYS A 30 1.688 10.378 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.977 11.316 -2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.414 9.976 -0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.099 10.773 -0.115 1.00 0.00 H new ATOM 404 N ALA A 31 -0.083 13.615 -2.664 1.00 0.00 N ATOM 405 CA ALA A 31 0.514 14.945 -2.644 1.00 0.00 C ATOM 406 C ALA A 31 -0.555 16.028 -2.750 1.00 0.00 C ATOM 407 O ALA A 31 -1.509 15.899 -3.516 1.00 0.00 O ATOM 408 CB ALA A 31 1.524 15.086 -3.773 1.00 0.00 C ATOM 0 H ALA A 31 -0.992 13.567 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 31 1.029 15.071 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.962 16.084 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.310 14.341 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.024 14.935 -4.730 1.00 0.00 H new ATOM 414 N MET A 32 -0.388 17.095 -1.975 1.00 0.00 N ATOM 415 CA MET A 32 -1.338 18.200 -1.982 1.00 0.00 C ATOM 416 C MET A 32 -0.877 19.308 -2.923 1.00 0.00 C ATOM 417 O MET A 32 0.321 19.563 -3.060 1.00 0.00 O ATOM 418 CB MET A 32 -1.516 18.758 -0.568 1.00 0.00 C ATOM 419 CG MET A 32 -1.887 17.701 0.460 1.00 0.00 C ATOM 420 SD MET A 32 -3.496 16.954 0.138 1.00 0.00 S ATOM 421 CE MET A 32 -3.208 15.277 0.697 1.00 0.00 C ATOM 0 H MET A 32 0.396 17.217 -1.335 1.00 0.00 H new ATOM 0 HA MET A 32 -2.295 17.820 -2.338 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.591 19.245 -0.259 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.290 19.525 -0.584 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.124 16.923 0.467 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.892 18.151 1.453 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.804 14.587 0.100 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.151 15.033 0.587 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.493 15.189 1.745 1.00 0.00 H new ATOM 431 N THR A 33 -1.834 19.965 -3.572 1.00 0.00 N ATOM 432 CA THR A 33 -1.525 21.044 -4.501 1.00 0.00 C ATOM 433 C THR A 33 -1.208 22.336 -3.758 1.00 0.00 C ATOM 434 O THR A 33 -0.901 23.358 -4.372 1.00 0.00 O ATOM 435 CB THR A 33 -2.692 21.298 -5.474 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.692 22.103 -4.840 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.307 19.986 -5.936 1.00 0.00 C ATOM 0 H THR A 33 -2.830 19.768 -3.471 1.00 0.00 H new ATOM 0 HA THR A 33 -0.649 20.731 -5.069 1.00 0.00 H new ATOM 0 HB THR A 33 -2.302 21.824 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.349 22.394 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.129 20.191 -6.622 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.550 19.389 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.683 19.437 -5.073 1.00 0.00 H new ATOM 445 N SER A 34 -1.283 22.284 -2.432 1.00 0.00 N ATOM 446 CA SER A 34 -1.006 23.453 -1.604 1.00 0.00 C ATOM 447 C SER A 34 -0.956 23.073 -0.127 1.00 0.00 C ATOM 448 O SER A 34 -1.395 21.990 0.263 1.00 0.00 O ATOM 449 CB SER A 34 -2.071 24.528 -1.830 1.00 0.00 C ATOM 450 OG SER A 34 -1.573 25.815 -1.510 1.00 0.00 O ATOM 0 H SER A 34 -1.533 21.446 -1.908 1.00 0.00 H new ATOM 0 HA SER A 34 -0.033 23.850 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.396 24.509 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.947 24.311 -1.218 1.00 0.00 H new ATOM 0 HG SER A 34 -2.272 26.484 -1.665 1.00 0.00 H new ATOM 456 N LEU A 35 -0.417 23.971 0.690 1.00 0.00 N ATOM 457 CA LEU A 35 -0.308 23.732 2.125 1.00 0.00 C ATOM 458 C LEU A 35 -1.419 24.452 2.883 1.00 0.00 C ATOM 459 O LEU A 35 -1.535 24.325 4.102 1.00 0.00 O ATOM 460 CB LEU A 35 1.057 24.194 2.637 1.00 0.00 C ATOM 461 CG LEU A 35 2.275 23.519 2.005 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.513 24.386 2.174 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.498 22.143 2.614 1.00 0.00 C ATOM 0 H LEU A 35 -0.049 24.871 0.383 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.410 22.661 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.138 25.269 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.093 24.029 3.714 1.00 0.00 H new ATOM 0 HG LEU A 35 2.086 23.396 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.370 23.890 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.352 25.349 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.706 24.542 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.369 21.678 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.666 22.243 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.620 21.522 2.440 1.00 0.00 H new ATOM 475 N ILE A 36 -2.235 25.205 2.152 1.00 0.00 N ATOM 476 CA ILE A 36 -3.338 25.942 2.755 1.00 0.00 C ATOM 477 C ILE A 36 -4.683 25.404 2.280 1.00 0.00 C ATOM 478 O ILE A 36 -4.888 25.131 1.097 1.00 0.00 O ATOM 479 CB ILE A 36 -3.255 27.445 2.431 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.888 28.001 2.831 1.00 0.00 C ATOM 481 CG2 ILE A 36 -4.369 28.202 3.138 1.00 0.00 C ATOM 482 CD1 ILE A 36 -1.432 27.555 4.203 1.00 0.00 C ATOM 0 H ILE A 36 -2.153 25.320 1.142 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.256 25.807 3.833 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.379 27.577 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.149 27.691 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.926 29.090 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.297 29.263 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.335 27.821 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.275 28.066 4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.455 27.987 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.151 27.888 4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.361 26.468 4.227 1.00 0.00 H new ATOM 494 N PRO A 37 -5.625 25.248 3.223 1.00 0.00 N ATOM 495 CA PRO A 37 -5.393 25.569 4.634 1.00 0.00 C ATOM 496 C PRO A 37 -4.427 24.594 5.299 1.00 0.00 C ATOM 497 O PRO A 37 -4.413 23.404 4.981 1.00 0.00 O ATOM 498 CB PRO A 37 -6.785 25.451 5.259 1.00 0.00 C ATOM 499 CG PRO A 37 -7.521 24.509 4.370 1.00 0.00 C ATOM 500 CD PRO A 37 -6.989 24.747 2.983 1.00 0.00 C ATOM 0 HA PRO A 37 -4.937 26.551 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.730 25.071 6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.281 26.420 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.360 23.476 4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.595 24.691 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.983 23.831 2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.594 25.473 2.439 1.00 0.00 H new ATOM 508 N VAL A 38 -3.620 25.105 6.223 1.00 0.00 N ATOM 509 CA VAL A 38 -2.652 24.278 6.934 1.00 0.00 C ATOM 510 C VAL A 38 -3.339 23.125 7.657 1.00 0.00 C ATOM 511 O VAL A 38 -4.497 23.232 8.059 1.00 0.00 O ATOM 512 CB VAL A 38 -1.851 25.106 7.957 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.711 25.436 9.167 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.591 24.362 8.374 1.00 0.00 C ATOM 0 H VAL A 38 -3.617 26.088 6.497 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.968 23.877 6.186 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.553 26.043 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.129 26.021 9.879 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.580 26.012 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.041 24.512 9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.037 24.961 9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.864 23.409 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.032 24.183 7.498 1.00 0.00 H new ATOM 524 N GLY A 39 -2.616 22.021 7.819 1.00 0.00 N ATOM 525 CA GLY A 39 -3.173 20.863 8.494 1.00 0.00 C ATOM 526 C GLY A 39 -2.356 19.607 8.260 1.00 0.00 C ATOM 527 O GLY A 39 -1.664 19.470 7.251 1.00 0.00 O ATOM 0 H GLY A 39 -1.655 21.908 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.229 21.062 9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.193 20.699 8.146 1.00 0.00 H new ATOM 531 N PRO A 40 -2.431 18.663 9.209 1.00 0.00 N ATOM 532 CA PRO A 40 -1.698 17.396 9.124 1.00 0.00 C ATOM 533 C PRO A 40 -2.245 16.481 8.034 1.00 0.00 C ATOM 534 O PRO A 40 -2.989 16.922 7.157 1.00 0.00 O ATOM 535 CB PRO A 40 -1.911 16.769 10.505 1.00 0.00 C ATOM 536 CG PRO A 40 -3.186 17.363 10.997 1.00 0.00 C ATOM 537 CD PRO A 40 -3.236 18.758 10.438 1.00 0.00 C ATOM 0 HA PRO A 40 -0.650 17.549 8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.979 15.683 10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.083 16.998 11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.043 16.778 10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.215 17.378 12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.259 19.069 10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.820 19.485 11.135 1.00 0.00 H new ATOM 545 N ILE A 41 -1.872 15.207 8.094 1.00 0.00 N ATOM 546 CA ILE A 41 -2.328 14.231 7.112 1.00 0.00 C ATOM 547 C ILE A 41 -2.831 12.962 7.791 1.00 0.00 C ATOM 548 O ILE A 41 -2.250 12.499 8.772 1.00 0.00 O ATOM 549 CB ILE A 41 -1.206 13.861 6.124 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.676 15.116 5.427 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.712 12.855 5.101 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.678 15.757 4.492 1.00 0.00 C ATOM 0 H ILE A 41 -1.255 14.827 8.812 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.147 14.695 6.562 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.388 13.404 6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.379 15.843 6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.221 14.858 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.908 12.603 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.046 11.953 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.545 13.287 4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.234 16.641 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.957 15.046 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.566 16.047 5.054 1.00 0.00 H new ATOM 564 N MET A 42 -3.913 12.403 7.260 1.00 0.00 N ATOM 565 CA MET A 42 -4.493 11.184 7.814 1.00 0.00 C ATOM 566 C MET A 42 -5.023 10.282 6.704 1.00 0.00 C ATOM 567 O MET A 42 -5.759 10.730 5.825 1.00 0.00 O ATOM 568 CB MET A 42 -5.620 11.527 8.790 1.00 0.00 C ATOM 569 CG MET A 42 -5.129 12.122 10.100 1.00 0.00 C ATOM 570 SD MET A 42 -6.371 12.051 11.404 1.00 0.00 S ATOM 571 CE MET A 42 -5.937 13.498 12.366 1.00 0.00 C ATOM 0 H MET A 42 -4.406 12.774 6.448 1.00 0.00 H new ATOM 0 HA MET A 42 -3.709 10.649 8.350 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.301 12.232 8.313 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.193 10.624 9.002 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.236 11.588 10.425 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.838 13.160 9.937 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.451 13.188 13.291 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.256 14.126 11.792 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.839 14.062 12.601 1.00 0.00 H new ATOM 581 N TRP A 43 -4.644 9.010 6.750 1.00 0.00 N ATOM 582 CA TRP A 43 -5.082 8.045 5.748 1.00 0.00 C ATOM 583 C TRP A 43 -6.258 7.222 6.262 1.00 0.00 C ATOM 584 O TRP A 43 -6.334 6.904 7.449 1.00 0.00 O ATOM 585 CB TRP A 43 -3.926 7.120 5.362 1.00 0.00 C ATOM 586 CG TRP A 43 -2.963 7.744 4.398 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.838 8.455 4.708 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.041 7.715 2.969 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.212 8.869 3.557 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.929 8.427 2.476 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.939 7.155 2.057 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.696 8.593 1.114 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.707 7.321 0.705 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.592 8.034 0.244 1.00 0.00 C ATOM 0 H TRP A 43 -4.034 8.623 7.470 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.407 8.597 4.866 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.388 6.827 6.264 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.331 6.209 4.922 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.492 8.661 5.710 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.353 9.417 3.514 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.800 6.602 2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.838 9.144 0.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.396 6.894 -0.008 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.437 8.144 -0.819 1.00 0.00 H new ATOM 605 N PHE A 44 -7.173 6.880 5.361 1.00 0.00 N ATOM 606 CA PHE A 44 -8.347 6.094 5.724 1.00 0.00 C ATOM 607 C PHE A 44 -8.804 5.227 4.555 1.00 0.00 C ATOM 608 O PHE A 44 -8.955 5.710 3.432 1.00 0.00 O ATOM 609 CB PHE A 44 -9.486 7.014 6.168 1.00 0.00 C ATOM 610 CG PHE A 44 -9.116 7.920 7.308 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.298 7.513 8.620 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.588 9.177 7.068 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.959 8.343 9.671 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.246 10.012 8.115 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.433 9.595 9.419 1.00 0.00 C ATOM 0 H PHE A 44 -7.124 7.135 4.374 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.074 5.441 6.552 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.803 7.621 5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.341 6.405 6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.710 6.535 8.823 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.442 9.509 6.051 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.105 8.013 10.689 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.833 10.989 7.914 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.169 10.246 10.239 1.00 0.00 H new ATOM 625 N ARG A 45 -9.022 3.945 4.827 1.00 0.00 N ATOM 626 CA ARG A 45 -9.460 3.009 3.798 1.00 0.00 C ATOM 627 C ARG A 45 -10.904 2.577 4.035 1.00 0.00 C ATOM 628 O ARG A 45 -11.224 1.980 5.062 1.00 0.00 O ATOM 629 CB ARG A 45 -8.547 1.782 3.773 1.00 0.00 C ATOM 630 CG ARG A 45 -9.009 0.699 2.811 1.00 0.00 C ATOM 631 CD ARG A 45 -8.610 -0.685 3.297 1.00 0.00 C ATOM 632 NE ARG A 45 -9.141 -0.972 4.628 1.00 0.00 N ATOM 633 CZ ARG A 45 -9.170 -2.188 5.161 1.00 0.00 C ATOM 634 NH1 ARG A 45 -8.701 -3.225 4.481 1.00 0.00 N ATOM 635 NH2 ARG A 45 -9.669 -2.368 6.377 1.00 0.00 N ATOM 0 H ARG A 45 -8.903 3.530 5.751 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.404 3.515 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.540 2.095 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.488 1.363 4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.092 0.748 2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.578 0.878 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.972 -1.435 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.523 -0.763 3.316 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.510 -0.196 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.317 -3.090 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.725 -4.158 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.031 -1.572 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.691 -3.302 6.786 1.00 0.00 H new ATOM 649 N GLY A 46 -11.774 2.885 3.077 1.00 0.00 N ATOM 650 CA GLY A 46 -13.173 2.522 3.201 1.00 0.00 C ATOM 651 C GLY A 46 -14.024 3.663 3.723 1.00 0.00 C ATOM 652 O GLY A 46 -14.459 3.645 4.874 1.00 0.00 O ATOM 0 H GLY A 46 -11.534 3.379 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.551 2.206 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.265 1.668 3.871 1.00 0.00 H new ATOM 656 N ALA A 47 -14.261 4.659 2.875 1.00 0.00 N ATOM 657 CA ALA A 47 -15.065 5.812 3.258 1.00 0.00 C ATOM 658 C ALA A 47 -16.499 5.401 3.573 1.00 0.00 C ATOM 659 O ALA A 47 -17.025 4.452 2.993 1.00 0.00 O ATOM 660 CB ALA A 47 -15.044 6.860 2.154 1.00 0.00 C ATOM 0 H ALA A 47 -13.907 4.690 1.919 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.632 6.242 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.649 7.716 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.018 7.184 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.450 6.431 1.238 1.00 0.00 H new ATOM 690 N ARG A 51 -14.544 3.861 7.562 1.00 0.00 N ATOM 691 CA ARG A 51 -13.125 3.850 7.229 1.00 0.00 C ATOM 692 C ARG A 51 -12.275 3.635 8.477 1.00 0.00 C ATOM 693 O ARG A 51 -12.625 4.092 9.564 1.00 0.00 O ATOM 694 CB ARG A 51 -12.729 5.162 6.549 1.00 0.00 C ATOM 695 CG ARG A 51 -12.700 6.353 7.493 1.00 0.00 C ATOM 696 CD ARG A 51 -12.785 7.668 6.734 1.00 0.00 C ATOM 697 NE ARG A 51 -13.252 8.761 7.583 1.00 0.00 N ATOM 698 CZ ARG A 51 -13.398 10.011 7.158 1.00 0.00 C ATOM 699 NH1 ARG A 51 -13.114 10.325 5.902 1.00 0.00 N ATOM 700 NH2 ARG A 51 -13.828 10.950 7.991 1.00 0.00 N ATOM 0 HA ARG A 51 -12.945 3.023 6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.745 5.044 6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.429 5.368 5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.531 6.283 8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.783 6.330 8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.804 7.917 6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.460 7.554 5.886 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.478 8.553 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.782 9.606 5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.227 11.286 5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.047 10.712 8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.940 11.910 7.664 1.00 0.00 H new ATOM 714 N GLU A 52 -11.157 2.935 8.312 1.00 0.00 N ATOM 715 CA GLU A 52 -10.258 2.658 9.427 1.00 0.00 C ATOM 716 C GLU A 52 -8.947 3.424 9.272 1.00 0.00 C ATOM 717 O GLU A 52 -8.237 3.267 8.278 1.00 0.00 O ATOM 718 CB GLU A 52 -9.976 1.157 9.523 1.00 0.00 C ATOM 719 CG GLU A 52 -9.096 0.777 10.701 1.00 0.00 C ATOM 720 CD GLU A 52 -9.897 0.461 11.950 1.00 0.00 C ATOM 721 OE1 GLU A 52 -10.492 1.395 12.526 1.00 0.00 O ATOM 722 OE2 GLU A 52 -9.928 -0.722 12.350 1.00 0.00 O ATOM 0 H GLU A 52 -10.852 2.550 7.418 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.746 2.988 10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.923 0.622 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.497 0.826 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.491 -0.089 10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.407 1.594 10.913 1.00 0.00 H new ATOM 729 N LEU A 53 -8.634 4.253 10.261 1.00 0.00 N ATOM 730 CA LEU A 53 -7.409 5.045 10.237 1.00 0.00 C ATOM 731 C LEU A 53 -6.207 4.178 9.874 1.00 0.00 C ATOM 732 O LEU A 53 -5.886 3.220 10.577 1.00 0.00 O ATOM 733 CB LEU A 53 -7.181 5.710 11.595 1.00 0.00 C ATOM 734 CG LEU A 53 -5.981 6.654 11.687 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.080 7.748 10.636 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.883 7.258 13.081 1.00 0.00 C ATOM 0 H LEU A 53 -9.211 4.395 11.090 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.520 5.817 9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.079 6.269 11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.061 4.928 12.345 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.075 6.078 11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.218 8.410 10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.100 7.298 9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.993 8.322 10.793 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.024 7.927 13.128 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.792 7.819 13.299 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.763 6.461 13.815 1.00 0.00 H new ATOM 748 N ILE A 54 -5.546 4.523 8.774 1.00 0.00 N ATOM 749 CA ILE A 54 -4.378 3.778 8.321 1.00 0.00 C ATOM 750 C ILE A 54 -3.089 4.407 8.840 1.00 0.00 C ATOM 751 O ILE A 54 -2.179 3.707 9.283 1.00 0.00 O ATOM 752 CB ILE A 54 -4.318 3.707 6.783 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.550 2.984 6.236 1.00 0.00 C ATOM 754 CG2 ILE A 54 -3.044 3.006 6.335 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.690 1.563 6.738 1.00 0.00 C ATOM 0 H ILE A 54 -5.799 5.313 8.181 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.473 2.768 8.720 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.310 4.722 6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.443 3.547 6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.501 2.973 5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.016 2.963 5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.178 3.558 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.025 1.994 6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.585 1.112 6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.815 0.985 6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.771 1.567 7.825 1.00 0.00 H new ATOM 767 N TYR A 55 -3.020 5.733 8.783 1.00 0.00 N ATOM 768 CA TYR A 55 -1.843 6.457 9.247 1.00 0.00 C ATOM 769 C TYR A 55 -2.215 7.862 9.710 1.00 0.00 C ATOM 770 O TYR A 55 -3.119 8.490 9.161 1.00 0.00 O ATOM 771 CB TYR A 55 -0.795 6.535 8.135 1.00 0.00 C ATOM 772 CG TYR A 55 0.448 7.300 8.527 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.481 6.678 9.218 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.590 8.645 8.208 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.619 7.373 9.579 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.725 9.348 8.564 1.00 0.00 C ATOM 777 CZ TYR A 55 2.737 8.708 9.250 1.00 0.00 C ATOM 778 OH TYR A 55 3.868 9.404 9.607 1.00 0.00 O ATOM 0 H TYR A 55 -3.765 6.327 8.420 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.424 5.914 10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.512 5.524 7.843 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.241 7.007 7.260 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.393 5.633 9.477 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.201 9.150 7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.412 6.874 10.116 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.820 10.393 8.307 1.00 0.00 H new ATOM 0 HH TYR A 55 3.792 10.331 9.299 1.00 0.00 H new ATOM 788 N ASN A 56 -1.510 8.349 10.726 1.00 0.00 N ATOM 789 CA ASN A 56 -1.765 9.680 11.265 1.00 0.00 C ATOM 790 C ASN A 56 -0.458 10.428 11.510 1.00 0.00 C ATOM 791 O ASN A 56 0.474 9.888 12.105 1.00 0.00 O ATOM 792 CB ASN A 56 -2.561 9.582 12.567 1.00 0.00 C ATOM 793 CG ASN A 56 -3.427 10.803 12.809 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.602 10.686 13.157 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.848 11.984 12.626 1.00 0.00 N ATOM 0 H ASN A 56 -0.758 7.842 11.193 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.349 10.236 10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.191 8.693 12.538 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.872 9.457 13.402 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.380 12.841 12.774 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.871 12.034 12.337 1.00 0.00 H new ATOM 802 N GLN A 57 -0.398 11.672 11.047 1.00 0.00 N ATOM 803 CA GLN A 57 0.795 12.493 11.217 1.00 0.00 C ATOM 804 C GLN A 57 0.790 13.188 12.575 1.00 0.00 C ATOM 805 O GLN A 57 1.800 13.207 13.279 1.00 0.00 O ATOM 806 CB GLN A 57 0.887 13.533 10.099 1.00 0.00 C ATOM 807 CG GLN A 57 2.299 14.042 9.856 1.00 0.00 C ATOM 808 CD GLN A 57 2.327 15.317 9.036 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.291 15.789 8.566 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.516 15.881 8.859 1.00 0.00 N ATOM 0 H GLN A 57 -1.161 12.133 10.552 1.00 0.00 H new ATOM 0 HA GLN A 57 1.665 11.839 11.168 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.503 13.098 9.177 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.243 14.377 10.345 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.787 14.220 10.814 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.875 13.272 9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.348 15.455 9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.597 16.740 8.315 1.00 0.00 H new ATOM 819 N LYS A 58 -0.354 13.758 12.937 1.00 0.00 N ATOM 820 CA LYS A 58 -0.493 14.454 14.211 1.00 0.00 C ATOM 821 C LYS A 58 0.177 13.670 15.335 1.00 0.00 C ATOM 822 O LYS A 58 0.994 14.210 16.079 1.00 0.00 O ATOM 823 CB LYS A 58 -1.972 14.672 14.538 1.00 0.00 C ATOM 824 CG LYS A 58 -2.212 15.211 15.938 1.00 0.00 C ATOM 825 CD LYS A 58 -3.473 16.056 16.001 1.00 0.00 C ATOM 826 CE LYS A 58 -3.258 17.426 15.374 1.00 0.00 C ATOM 827 NZ LYS A 58 -4.471 18.283 15.486 1.00 0.00 N ATOM 0 H LYS A 58 -1.199 13.752 12.366 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.000 15.422 14.123 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.397 15.366 13.813 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.504 13.727 14.425 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.294 14.381 16.640 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.356 15.809 16.250 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.283 15.541 15.485 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.781 16.174 17.040 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.418 17.921 15.861 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.993 17.307 14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.232 19.260 15.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.211 17.922 14.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.819 18.266 16.466 1.00 0.00 H new ATOM 841 N GLU A 59 -0.175 12.393 15.450 1.00 0.00 N ATOM 842 CA GLU A 59 0.394 11.535 16.483 1.00 0.00 C ATOM 843 C GLU A 59 0.116 10.065 16.184 1.00 0.00 C ATOM 844 O GLU A 59 -0.642 9.738 15.271 1.00 0.00 O ATOM 845 CB GLU A 59 -0.176 11.904 17.855 1.00 0.00 C ATOM 846 CG GLU A 59 -1.690 11.791 17.935 1.00 0.00 C ATOM 847 CD GLU A 59 -2.263 12.493 19.150 1.00 0.00 C ATOM 848 OE1 GLU A 59 -2.550 13.705 19.056 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.425 11.830 20.196 1.00 0.00 O ATOM 0 H GLU A 59 -0.850 11.930 14.842 1.00 0.00 H new ATOM 0 HA GLU A 59 1.473 11.688 16.492 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.269 11.256 18.610 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.117 12.925 18.098 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.131 12.216 17.033 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.971 10.738 17.962 1.00 0.00 H new ATOM 856 N GLY A 60 0.736 9.181 16.960 1.00 0.00 N ATOM 857 CA GLY A 60 0.544 7.756 16.762 1.00 0.00 C ATOM 858 C GLY A 60 1.788 7.071 16.234 1.00 0.00 C ATOM 859 O GLY A 60 2.373 7.507 15.242 1.00 0.00 O ATOM 0 H GLY A 60 1.368 9.426 17.722 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.254 7.297 17.707 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.278 7.597 16.064 1.00 0.00 H new ATOM 863 N HIS A 61 2.197 5.995 16.900 1.00 0.00 N ATOM 864 CA HIS A 61 3.382 5.249 16.493 1.00 0.00 C ATOM 865 C HIS A 61 3.035 4.221 15.420 1.00 0.00 C ATOM 866 O HIS A 61 2.325 3.250 15.682 1.00 0.00 O ATOM 867 CB HIS A 61 4.011 4.551 17.699 1.00 0.00 C ATOM 868 CG HIS A 61 4.881 3.389 17.333 1.00 0.00 C ATOM 869 ND1 HIS A 61 5.781 3.422 16.288 1.00 0.00 N ATOM 870 CD2 HIS A 61 4.988 2.155 17.879 1.00 0.00 C ATOM 871 CE1 HIS A 61 6.401 2.259 16.207 1.00 0.00 C ATOM 872 NE2 HIS A 61 5.939 1.472 17.162 1.00 0.00 N ATOM 0 H HIS A 61 1.725 5.621 17.723 1.00 0.00 H new ATOM 0 HA HIS A 61 4.100 5.956 16.076 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.603 5.275 18.259 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.218 4.206 18.363 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.429 1.778 18.722 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.158 1.996 15.483 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.240 0.513 17.338 1.00 0.00 H new ATOM 881 N PHE A 62 3.539 4.442 14.211 1.00 0.00 N ATOM 882 CA PHE A 62 3.281 3.537 13.097 1.00 0.00 C ATOM 883 C PHE A 62 4.583 2.951 12.559 1.00 0.00 C ATOM 884 O PHE A 62 5.239 3.526 11.689 1.00 0.00 O ATOM 885 CB PHE A 62 2.537 4.269 11.979 1.00 0.00 C ATOM 886 CG PHE A 62 1.271 4.935 12.437 1.00 0.00 C ATOM 887 CD1 PHE A 62 1.309 6.178 13.048 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.044 4.318 12.257 1.00 0.00 C ATOM 889 CE1 PHE A 62 0.146 6.795 13.470 1.00 0.00 C ATOM 890 CE2 PHE A 62 -1.123 4.930 12.677 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.071 6.169 13.286 1.00 0.00 C ATOM 0 H PHE A 62 4.129 5.241 13.977 1.00 0.00 H new ATOM 0 HA PHE A 62 2.659 2.720 13.462 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.197 5.020 11.546 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.299 3.559 11.187 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.259 6.671 13.196 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.002 3.348 11.784 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.189 7.765 13.943 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.074 4.440 12.529 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.981 6.647 13.618 1.00 0.00 H new ATOM 901 N PRO A 63 4.968 1.781 13.088 1.00 0.00 N ATOM 902 CA PRO A 63 6.195 1.091 12.676 1.00 0.00 C ATOM 903 C PRO A 63 6.098 0.532 11.261 1.00 0.00 C ATOM 904 O PRO A 63 7.052 0.609 10.486 1.00 0.00 O ATOM 905 CB PRO A 63 6.321 -0.046 13.693 1.00 0.00 C ATOM 906 CG PRO A 63 4.927 -0.296 14.157 1.00 0.00 C ATOM 907 CD PRO A 63 4.236 1.039 14.128 1.00 0.00 C ATOM 0 HA PRO A 63 7.054 1.762 12.658 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.753 -0.938 13.238 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.970 0.235 14.523 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.422 -1.011 13.508 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.920 -0.718 15.162 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.179 0.939 13.881 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.292 1.541 15.094 1.00 0.00 H new ATOM 915 N ARG A 64 4.941 -0.032 10.930 1.00 0.00 N ATOM 916 CA ARG A 64 4.720 -0.605 9.608 1.00 0.00 C ATOM 917 C ARG A 64 4.799 0.471 8.529 1.00 0.00 C ATOM 918 O ARG A 64 5.422 0.274 7.485 1.00 0.00 O ATOM 919 CB ARG A 64 3.359 -1.301 9.551 1.00 0.00 C ATOM 920 CG ARG A 64 3.246 -2.496 10.484 1.00 0.00 C ATOM 921 CD ARG A 64 1.794 -2.847 10.765 1.00 0.00 C ATOM 922 NE ARG A 64 1.121 -3.380 9.583 1.00 0.00 N ATOM 923 CZ ARG A 64 -0.089 -3.928 9.611 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.755 -4.015 10.754 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.635 -4.390 8.493 1.00 0.00 N ATOM 0 H ARG A 64 4.142 -0.104 11.560 1.00 0.00 H new ATOM 0 HA ARG A 64 5.504 -1.340 9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.581 -0.580 9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.171 -1.630 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.750 -3.355 10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.757 -2.277 11.422 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.748 -3.580 11.570 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.267 -1.958 11.112 1.00 0.00 H new ATOM 0 HE ARG A 64 1.606 -3.329 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.339 -3.661 11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.684 -4.436 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.126 -4.324 7.612 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.564 -4.811 8.515 1.00 0.00 H new ATOM 939 N VAL A 65 4.164 1.609 8.788 1.00 0.00 N ATOM 940 CA VAL A 65 4.162 2.717 7.840 1.00 0.00 C ATOM 941 C VAL A 65 5.535 3.375 7.761 1.00 0.00 C ATOM 942 O VAL A 65 6.157 3.666 8.784 1.00 0.00 O ATOM 943 CB VAL A 65 3.116 3.781 8.221 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.100 4.905 7.197 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.738 3.150 8.354 1.00 0.00 C ATOM 0 H VAL A 65 3.644 1.788 9.647 1.00 0.00 H new ATOM 0 HA VAL A 65 3.906 2.299 6.866 1.00 0.00 H new ATOM 0 HB VAL A 65 3.391 4.206 9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.355 5.647 7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.083 5.374 7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.851 4.500 6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.011 3.916 8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.452 2.697 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.762 2.384 9.129 1.00 0.00 H new ATOM 955 N THR A 66 6.005 3.608 6.539 1.00 0.00 N ATOM 956 CA THR A 66 7.305 4.231 6.326 1.00 0.00 C ATOM 957 C THR A 66 7.196 5.420 5.378 1.00 0.00 C ATOM 958 O THR A 66 7.042 5.250 4.167 1.00 0.00 O ATOM 959 CB THR A 66 8.323 3.226 5.757 1.00 0.00 C ATOM 960 OG1 THR A 66 8.472 2.119 6.652 1.00 0.00 O ATOM 961 CG2 THR A 66 9.674 3.890 5.535 1.00 0.00 C ATOM 0 H THR A 66 5.504 3.374 5.682 1.00 0.00 H new ATOM 0 HA THR A 66 7.653 4.577 7.299 1.00 0.00 H new ATOM 0 HB THR A 66 7.949 2.869 4.797 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.120 1.484 6.282 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.376 3.160 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.563 4.714 4.830 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.052 4.272 6.483 1.00 0.00 H new ATOM 969 N THR A 67 7.277 6.624 5.934 1.00 0.00 N ATOM 970 CA THR A 67 7.187 7.842 5.137 1.00 0.00 C ATOM 971 C THR A 67 8.283 7.887 4.078 1.00 0.00 C ATOM 972 O THR A 67 9.458 8.069 4.393 1.00 0.00 O ATOM 973 CB THR A 67 7.290 9.100 6.020 1.00 0.00 C ATOM 974 OG1 THR A 67 8.463 9.030 6.838 1.00 0.00 O ATOM 975 CG2 THR A 67 6.059 9.244 6.901 1.00 0.00 C ATOM 0 H THR A 67 7.405 6.783 6.933 1.00 0.00 H new ATOM 0 HA THR A 67 6.213 7.829 4.648 1.00 0.00 H new ATOM 0 HB THR A 67 7.355 9.971 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.189 8.608 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.154 10.139 7.516 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.171 9.327 6.275 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.968 8.369 7.545 1.00 0.00 H new ATOM 983 N VAL A 68 7.889 7.722 2.819 1.00 0.00 N ATOM 984 CA VAL A 68 8.838 7.746 1.712 1.00 0.00 C ATOM 985 C VAL A 68 9.658 9.031 1.719 1.00 0.00 C ATOM 986 O VAL A 68 10.881 9.000 1.580 1.00 0.00 O ATOM 987 CB VAL A 68 8.120 7.616 0.355 1.00 0.00 C ATOM 988 CG1 VAL A 68 9.098 7.837 -0.789 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.447 6.257 0.237 1.00 0.00 C ATOM 0 H VAL A 68 6.920 7.570 2.540 1.00 0.00 H new ATOM 0 HA VAL A 68 9.503 6.893 1.847 1.00 0.00 H new ATOM 0 HB VAL A 68 7.349 8.384 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.573 7.741 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.529 8.835 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.893 7.093 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.945 6.182 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.198 5.471 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.715 6.143 1.037 1.00 0.00 H new ATOM 999 N SER A 69 8.977 10.161 1.883 1.00 0.00 N ATOM 1000 CA SER A 69 9.642 11.458 1.906 1.00 0.00 C ATOM 1001 C SER A 69 9.637 12.047 3.313 1.00 0.00 C ATOM 1002 O SER A 69 8.695 11.843 4.078 1.00 0.00 O ATOM 1003 CB SER A 69 8.959 12.422 0.934 1.00 0.00 C ATOM 1004 OG SER A 69 7.598 12.613 1.278 1.00 0.00 O ATOM 0 H SER A 69 7.965 10.204 2.002 1.00 0.00 H new ATOM 0 HA SER A 69 10.677 11.313 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.478 13.381 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.029 12.031 -0.081 1.00 0.00 H new ATOM 0 HG SER A 69 7.439 13.561 1.469 1.00 0.00 H new ATOM 1010 N GLU A 70 10.696 12.779 3.646 1.00 0.00 N ATOM 1011 CA GLU A 70 10.813 13.397 4.961 1.00 0.00 C ATOM 1012 C GLU A 70 9.761 14.486 5.147 1.00 0.00 C ATOM 1013 O GLU A 70 9.524 15.296 4.249 1.00 0.00 O ATOM 1014 CB GLU A 70 12.213 13.987 5.149 1.00 0.00 C ATOM 1015 CG GLU A 70 12.625 14.938 4.039 1.00 0.00 C ATOM 1016 CD GLU A 70 14.120 14.924 3.784 1.00 0.00 C ATOM 1017 OE1 GLU A 70 14.885 15.216 4.727 1.00 0.00 O ATOM 1018 OE2 GLU A 70 14.525 14.621 2.642 1.00 0.00 O ATOM 0 H GLU A 70 11.484 12.958 3.024 1.00 0.00 H new ATOM 0 HA GLU A 70 10.648 12.625 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.251 14.515 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.936 13.174 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.101 14.669 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.314 15.950 4.298 1.00 0.00 H new ATOM 1025 N LEU A 71 9.132 14.500 6.317 1.00 0.00 N ATOM 1026 CA LEU A 71 8.104 15.489 6.622 1.00 0.00 C ATOM 1027 C LEU A 71 8.711 16.715 7.296 1.00 0.00 C ATOM 1028 O LEU A 71 8.084 17.772 7.368 1.00 0.00 O ATOM 1029 CB LEU A 71 7.030 14.876 7.522 1.00 0.00 C ATOM 1030 CG LEU A 71 6.538 13.483 7.128 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.566 12.946 8.166 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.887 13.517 5.752 1.00 0.00 C ATOM 0 H LEU A 71 9.316 13.837 7.070 1.00 0.00 H new ATOM 0 HA LEU A 71 7.646 15.803 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.421 14.827 8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.173 15.550 7.542 1.00 0.00 H new ATOM 0 HG LEU A 71 7.397 12.814 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.227 11.954 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.064 12.884 9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.709 13.615 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.543 12.517 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.038 14.201 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.613 13.858 5.014 1.00 0.00 H new ATOM 1118 N ASN A 76 6.766 21.307 1.898 1.00 0.00 N ATOM 1119 CA ASN A 76 6.671 19.958 1.350 1.00 0.00 C ATOM 1120 C ASN A 76 5.215 19.565 1.122 1.00 0.00 C ATOM 1121 O ASN A 76 4.330 19.943 1.891 1.00 0.00 O ATOM 1122 CB ASN A 76 7.341 18.955 2.291 1.00 0.00 C ATOM 1123 CG ASN A 76 6.392 18.439 3.356 1.00 0.00 C ATOM 1124 OD1 ASN A 76 5.704 19.216 4.019 1.00 0.00 O ATOM 1125 ND2 ASN A 76 6.351 17.123 3.525 1.00 0.00 N ATOM 0 HA ASN A 76 7.186 19.945 0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.723 18.115 1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.199 19.427 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.732 16.718 4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.939 16.517 2.953 1.00 0.00 H new ATOM 1132 N LEU A 77 4.973 18.804 0.060 1.00 0.00 N ATOM 1133 CA LEU A 77 3.624 18.359 -0.270 1.00 0.00 C ATOM 1134 C LEU A 77 3.570 16.840 -0.407 1.00 0.00 C ATOM 1135 O LEU A 77 2.492 16.248 -0.439 1.00 0.00 O ATOM 1136 CB LEU A 77 3.152 19.016 -1.568 1.00 0.00 C ATOM 1137 CG LEU A 77 3.341 20.530 -1.661 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.203 20.998 -3.102 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.340 21.248 -0.768 1.00 0.00 C ATOM 0 H LEU A 77 5.693 18.483 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 77 2.961 18.656 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.682 18.552 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.093 18.793 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 77 4.346 20.773 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.341 22.078 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.958 20.509 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.211 20.742 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.489 22.325 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.327 20.998 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.486 20.936 0.266 1.00 0.00 H new ATOM 1151 N ASP A 78 4.741 16.217 -0.484 1.00 0.00 N ATOM 1152 CA ASP A 78 4.828 14.767 -0.614 1.00 0.00 C ATOM 1153 C ASP A 78 4.426 14.080 0.688 1.00 0.00 C ATOM 1154 O ASP A 78 5.096 14.224 1.710 1.00 0.00 O ATOM 1155 CB ASP A 78 6.247 14.353 -1.006 1.00 0.00 C ATOM 1156 CG ASP A 78 6.428 14.261 -2.509 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.432 13.991 -3.211 1.00 0.00 O ATOM 1158 OD2 ASP A 78 7.567 14.459 -2.982 1.00 0.00 O ATOM 0 H ASP A 78 5.643 16.693 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 78 4.137 14.455 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.958 15.073 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.479 13.388 -0.555 1.00 0.00 H new ATOM 1163 N PHE A 79 3.327 13.334 0.642 1.00 0.00 N ATOM 1164 CA PHE A 79 2.834 12.626 1.818 1.00 0.00 C ATOM 1165 C PHE A 79 2.609 11.149 1.509 1.00 0.00 C ATOM 1166 O PHE A 79 1.654 10.541 1.993 1.00 0.00 O ATOM 1167 CB PHE A 79 1.532 13.260 2.313 1.00 0.00 C ATOM 1168 CG PHE A 79 1.716 14.633 2.893 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.420 14.812 4.073 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.186 15.745 2.258 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.590 16.075 4.609 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.354 17.010 2.789 1.00 0.00 C ATOM 1173 CZ PHE A 79 2.057 17.175 3.966 1.00 0.00 C ATOM 0 H PHE A 79 2.761 13.204 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 79 3.588 12.704 2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.827 13.316 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.086 12.612 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.840 13.956 4.579 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.635 15.622 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.139 16.201 5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.936 17.868 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.190 18.162 4.383 1.00 0.00 H new ATOM 1183 N SER A 80 3.495 10.578 0.700 1.00 0.00 N ATOM 1184 CA SER A 80 3.391 9.174 0.322 1.00 0.00 C ATOM 1185 C SER A 80 4.020 8.277 1.384 1.00 0.00 C ATOM 1186 O SER A 80 5.143 8.517 1.828 1.00 0.00 O ATOM 1187 CB SER A 80 4.069 8.936 -1.029 1.00 0.00 C ATOM 1188 OG SER A 80 5.480 8.960 -0.902 1.00 0.00 O ATOM 0 H SER A 80 4.293 11.066 0.294 1.00 0.00 H new ATOM 0 HA SER A 80 2.333 8.923 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.753 7.974 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.751 9.700 -1.739 1.00 0.00 H new ATOM 0 HG SER A 80 5.890 8.804 -1.778 1.00 0.00 H new ATOM 1194 N ILE A 81 3.287 7.245 1.787 1.00 0.00 N ATOM 1195 CA ILE A 81 3.772 6.312 2.797 1.00 0.00 C ATOM 1196 C ILE A 81 3.960 4.917 2.211 1.00 0.00 C ATOM 1197 O ILE A 81 3.474 4.620 1.119 1.00 0.00 O ATOM 1198 CB ILE A 81 2.809 6.228 3.995 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.385 5.940 3.514 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.851 7.518 4.800 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.526 5.248 4.549 1.00 0.00 C ATOM 0 H ILE A 81 2.355 7.034 1.430 1.00 0.00 H new ATOM 0 HA ILE A 81 4.734 6.692 3.141 1.00 0.00 H new ATOM 0 HB ILE A 81 3.127 5.409 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.910 6.878 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.431 5.320 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.165 7.443 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.863 7.684 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.555 8.353 4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.469 5.075 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.978 4.293 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.449 5.876 5.437 1.00 0.00 H new ATOM 1213 N SER A 82 4.667 4.063 2.944 1.00 0.00 N ATOM 1214 CA SER A 82 4.920 2.698 2.497 1.00 0.00 C ATOM 1215 C SER A 82 4.606 1.696 3.603 1.00 0.00 C ATOM 1216 O SER A 82 5.355 1.570 4.572 1.00 0.00 O ATOM 1217 CB SER A 82 6.377 2.547 2.055 1.00 0.00 C ATOM 1218 OG SER A 82 6.643 3.323 0.899 1.00 0.00 O ATOM 0 H SER A 82 5.075 4.292 3.850 1.00 0.00 H new ATOM 0 HA SER A 82 4.266 2.492 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.039 2.855 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.591 1.498 1.850 1.00 0.00 H new ATOM 0 HG SER A 82 7.581 3.210 0.638 1.00 0.00 H new ATOM 1224 N ILE A 83 3.493 0.987 3.451 1.00 0.00 N ATOM 1225 CA ILE A 83 3.079 -0.005 4.436 1.00 0.00 C ATOM 1226 C ILE A 83 3.713 -1.362 4.150 1.00 0.00 C ATOM 1227 O ILE A 83 3.393 -2.010 3.153 1.00 0.00 O ATOM 1228 CB ILE A 83 1.547 -0.163 4.466 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.873 1.208 4.563 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.129 -1.048 5.631 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.602 1.180 4.231 1.00 0.00 C ATOM 0 H ILE A 83 2.862 1.081 2.655 1.00 0.00 H new ATOM 0 HA ILE A 83 3.418 0.354 5.407 1.00 0.00 H new ATOM 0 HB ILE A 83 1.227 -0.640 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.003 1.597 5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.376 1.900 3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.044 -1.150 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.585 -2.032 5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.458 -0.597 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.014 2.185 4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.739 0.821 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.118 0.514 4.922 1.00 0.00 H new ATOM 1243 N SER A 84 4.611 -1.787 5.032 1.00 0.00 N ATOM 1244 CA SER A 84 5.292 -3.067 4.873 1.00 0.00 C ATOM 1245 C SER A 84 4.489 -4.193 5.518 1.00 0.00 C ATOM 1246 O SER A 84 3.686 -3.959 6.420 1.00 0.00 O ATOM 1247 CB SER A 84 6.691 -3.004 5.491 1.00 0.00 C ATOM 1248 OG SER A 84 7.595 -2.324 4.637 1.00 0.00 O ATOM 0 H SER A 84 4.884 -1.264 5.864 1.00 0.00 H new ATOM 0 HA SER A 84 5.382 -3.273 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.644 -2.496 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.054 -4.014 5.680 1.00 0.00 H new ATOM 0 HG SER A 84 8.481 -2.295 5.055 1.00 0.00 H new ATOM 1254 N ASN A 85 4.713 -5.415 5.047 1.00 0.00 N ATOM 1255 CA ASN A 85 4.011 -6.579 5.576 1.00 0.00 C ATOM 1256 C ASN A 85 2.517 -6.495 5.277 1.00 0.00 C ATOM 1257 O ASN A 85 1.685 -6.673 6.166 1.00 0.00 O ATOM 1258 CB ASN A 85 4.234 -6.693 7.085 1.00 0.00 C ATOM 1259 CG ASN A 85 3.666 -7.976 7.659 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.764 -7.950 8.495 1.00 0.00 O ATOM 1261 ND2 ASN A 85 4.194 -9.109 7.210 1.00 0.00 N ATOM 0 H ASN A 85 5.375 -5.625 4.300 1.00 0.00 H new ATOM 0 HA ASN A 85 4.413 -7.467 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.302 -6.646 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.773 -5.840 7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.852 -10.004 7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.941 -9.084 6.516 1.00 0.00 H new ATOM 1268 N ILE A 86 2.186 -6.224 4.019 1.00 0.00 N ATOM 1269 CA ILE A 86 0.793 -6.118 3.602 1.00 0.00 C ATOM 1270 C ILE A 86 0.033 -7.407 3.894 1.00 0.00 C ATOM 1271 O ILE A 86 0.608 -8.496 3.889 1.00 0.00 O ATOM 1272 CB ILE A 86 0.678 -5.797 2.100 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.075 -4.343 1.836 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.738 -6.062 1.609 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.073 -3.338 2.357 1.00 0.00 C ATOM 0 H ILE A 86 2.863 -6.074 3.271 1.00 0.00 H new ATOM 0 HA ILE A 86 0.353 -5.301 4.175 1.00 0.00 H new ATOM 0 HB ILE A 86 1.360 -6.446 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.044 -4.150 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.198 -4.198 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.804 -5.831 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.988 -7.111 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.438 -5.434 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.420 -2.329 2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.892 -3.504 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.033 -3.455 3.435 1.00 0.00 H new ATOM 1287 N THR A 87 -1.266 -7.277 4.148 1.00 0.00 N ATOM 1288 CA THR A 87 -2.107 -8.431 4.442 1.00 0.00 C ATOM 1289 C THR A 87 -3.329 -8.467 3.533 1.00 0.00 C ATOM 1290 O THR A 87 -3.810 -7.437 3.058 1.00 0.00 O ATOM 1291 CB THR A 87 -2.572 -8.427 5.910 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.221 -7.188 6.215 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.396 -8.635 6.852 1.00 0.00 C ATOM 0 H THR A 87 -1.758 -6.384 4.156 1.00 0.00 H new ATOM 0 HA THR A 87 -1.500 -9.318 4.264 1.00 0.00 H new ATOM 0 HB THR A 87 -3.275 -9.248 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.548 -6.484 6.323 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.750 -8.628 7.883 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.923 -9.593 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.671 -7.833 6.712 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.848 -9.678 3.284 1.00 0.00 N ATOM 1302 CA PRO A 88 -5.023 -9.876 2.430 1.00 0.00 C ATOM 1303 C PRO A 88 -6.302 -9.354 3.075 1.00 0.00 C ATOM 1304 O PRO A 88 -7.391 -9.493 2.518 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.090 -11.397 2.265 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.405 -11.939 3.472 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.327 -10.948 3.816 1.00 0.00 C ATOM 0 HA PRO A 88 -4.938 -9.335 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.122 -11.744 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.593 -11.718 1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.106 -12.056 4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.981 -12.923 3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.159 -10.894 4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.375 -11.215 3.358 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.163 -8.752 4.251 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.308 -8.206 4.970 1.00 0.00 C ATOM 1317 C ALA A 89 -7.218 -6.687 5.074 1.00 0.00 C ATOM 1318 O ALA A 89 -8.072 -6.046 5.686 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.406 -8.827 6.356 1.00 0.00 C ATOM 0 H ALA A 89 -5.269 -8.630 4.727 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.209 -8.453 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.265 -8.410 6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.526 -9.906 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.497 -8.610 6.917 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.178 -6.119 4.473 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.977 -4.675 4.498 1.00 0.00 C ATOM 1327 C ASP A 90 -6.332 -4.053 3.150 1.00 0.00 C ATOM 1328 O ASP A 90 -6.550 -2.846 3.050 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.528 -4.346 4.859 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.306 -4.274 6.357 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.291 -4.050 7.091 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.148 -4.439 6.795 1.00 0.00 O ATOM 0 H ASP A 90 -5.462 -6.636 3.963 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.637 -4.255 5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.870 -5.103 4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.252 -3.393 4.408 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.387 -4.887 2.117 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.716 -4.419 0.776 1.00 0.00 C ATOM 1339 C ALA A 91 -7.990 -3.581 0.784 1.00 0.00 C ATOM 1340 O ALA A 91 -8.648 -3.444 1.814 1.00 0.00 O ATOM 1341 CB ALA A 91 -6.865 -5.600 -0.173 1.00 0.00 C ATOM 0 H ALA A 91 -6.208 -5.889 2.183 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.899 -3.787 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.111 -5.236 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.929 -6.157 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.662 -6.253 0.182 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.332 -3.020 -0.373 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.525 -2.201 -0.476 1.00 0.00 C ATOM 1349 C GLY A 92 -9.282 -0.917 -1.244 1.00 0.00 C ATOM 1350 O GLY A 92 -9.021 -0.943 -2.447 1.00 0.00 O ATOM 0 H GLY A 92 -7.804 -3.119 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.312 -2.772 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.884 -1.960 0.525 1.00 0.00 H new ATOM 1354 N THR A 93 -9.370 0.212 -0.548 1.00 0.00 N ATOM 1355 CA THR A 93 -9.161 1.513 -1.172 1.00 0.00 C ATOM 1356 C THR A 93 -8.804 2.570 -0.133 1.00 0.00 C ATOM 1357 O THR A 93 -9.616 2.905 0.730 1.00 0.00 O ATOM 1358 CB THR A 93 -10.410 1.972 -1.947 1.00 0.00 C ATOM 1359 OG1 THR A 93 -10.957 0.876 -2.689 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.071 3.113 -2.893 1.00 0.00 C ATOM 0 H THR A 93 -9.585 0.252 0.448 1.00 0.00 H new ATOM 0 HA THR A 93 -8.332 1.399 -1.870 1.00 0.00 H new ATOM 0 HB THR A 93 -11.147 2.326 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.232 0.283 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.969 3.420 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.683 3.956 -2.322 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.317 2.782 -3.607 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.586 3.092 -0.222 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.122 4.111 0.713 1.00 0.00 C ATOM 1370 C TYR A 94 -7.348 5.510 0.149 1.00 0.00 C ATOM 1371 O TYR A 94 -6.839 5.852 -0.919 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.638 3.908 1.024 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.332 2.577 1.672 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.635 1.383 1.029 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.741 2.512 2.928 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.357 0.164 1.617 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.458 1.298 3.523 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.769 0.127 2.864 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.491 -1.084 3.454 1.00 0.00 O ATOM 0 H TYR A 94 -6.902 2.827 -0.931 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.697 4.013 1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.067 3.992 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.300 4.709 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.096 1.408 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.499 3.427 3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.599 -0.755 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.996 1.266 4.499 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.215 -1.716 3.261 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.114 6.317 0.875 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.410 7.679 0.449 1.00 0.00 C ATOM 1391 C TYR A 95 -7.603 8.691 1.257 1.00 0.00 C ATOM 1392 O TYR A 95 -7.885 8.932 2.431 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.905 7.968 0.596 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.789 6.945 -0.081 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.129 5.760 0.559 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.285 7.165 -1.360 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.936 4.822 -0.056 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.094 6.233 -1.982 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.416 5.064 -1.326 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.221 4.133 -1.941 1.00 0.00 O ATOM 0 H TYR A 95 -8.541 6.051 1.762 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.130 7.773 -0.600 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.156 8.008 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.119 8.953 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.756 5.568 1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.034 8.080 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.189 3.905 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.472 6.419 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.475 4.457 -2.831 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.597 9.280 0.619 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.748 10.266 1.275 1.00 0.00 C ATOM 1412 C CYS A 96 -6.555 11.495 1.682 1.00 0.00 C ATOM 1413 O CYS A 96 -6.934 12.309 0.840 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.601 10.679 0.351 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.093 11.207 1.226 1.00 0.00 S ATOM 0 H CYS A 96 -6.350 9.091 -0.352 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.335 9.810 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.355 9.841 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.940 11.493 -0.290 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.815 11.623 2.980 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.576 12.753 3.499 1.00 0.00 C ATOM 1422 C VAL A 97 -6.651 13.835 4.044 1.00 0.00 C ATOM 1423 O VAL A 97 -5.737 13.554 4.820 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.544 12.312 4.613 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.225 13.521 5.238 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.573 11.333 4.068 1.00 0.00 C ATOM 0 H VAL A 97 -6.510 10.958 3.691 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.151 13.157 2.666 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.970 11.806 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.905 13.190 6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.471 14.182 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.787 14.058 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.249 11.032 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.144 11.811 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.065 10.454 3.672 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.893 15.075 3.633 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.083 16.202 4.080 1.00 0.00 C ATOM 1438 C LYS A 98 -6.798 16.983 5.178 1.00 0.00 C ATOM 1439 O LYS A 98 -7.619 17.856 4.899 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.768 17.128 2.904 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.222 18.482 3.324 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.848 18.356 3.960 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.338 19.701 4.455 1.00 0.00 C ATOM 1444 NZ LYS A 98 -1.852 19.731 4.546 1.00 0.00 N ATOM 0 H LYS A 98 -7.644 15.325 2.990 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.150 15.809 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.043 16.640 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.674 17.277 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.163 19.137 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.909 18.950 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.894 17.654 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.146 17.944 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.677 20.488 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.766 19.914 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.484 20.512 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.568 19.872 5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.465 18.830 4.200 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.478 16.665 6.428 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.089 17.338 7.569 1.00 0.00 C ATOM 1460 C PHE A 99 -6.565 18.765 7.703 1.00 0.00 C ATOM 1461 O PHE A 99 -5.407 19.044 7.394 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.813 16.558 8.856 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.865 15.534 9.174 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -8.000 14.395 8.397 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.720 15.712 10.250 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.967 13.451 8.688 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.688 14.771 10.546 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.813 13.640 9.763 1.00 0.00 C ATOM 0 H PHE A 99 -5.799 15.946 6.677 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.165 17.379 7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.847 16.060 8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.737 17.259 9.687 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.342 14.243 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.629 16.596 10.864 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.061 12.567 8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.346 14.920 11.389 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.571 12.905 9.991 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.427 19.664 8.166 1.00 0.00 N ATOM 1479 CA ARG A 100 -7.053 21.062 8.339 1.00 0.00 C ATOM 1480 C ARG A 100 -6.947 21.417 9.820 1.00 0.00 C ATOM 1481 O ARG A 100 -7.784 21.012 10.628 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.075 21.974 7.657 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.311 22.241 8.500 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.401 22.925 7.689 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.586 23.208 8.494 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.611 23.935 8.063 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.596 24.448 6.841 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.654 24.148 8.855 1.00 0.00 N ATOM 0 H ARG A 100 -8.389 19.449 8.428 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.077 21.211 7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.598 22.924 7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.380 21.522 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.690 21.301 8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.044 22.866 9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.014 23.856 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.678 22.291 6.847 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.629 22.827 9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.796 24.285 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.384 25.006 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.669 23.753 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -14.441 24.706 8.523 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.913 22.175 10.169 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.697 22.585 11.551 1.00 0.00 C ATOM 1504 C LYS A 101 -6.942 23.261 12.119 1.00 0.00 C ATOM 1505 O LYS A 101 -7.345 24.328 11.659 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.502 23.537 11.641 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.763 23.461 12.966 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.673 24.516 13.057 1.00 0.00 C ATOM 1509 CE LYS A 101 -3.196 25.806 13.671 1.00 0.00 C ATOM 1510 NZ LYS A 101 -3.028 25.824 15.150 1.00 0.00 N ATOM 0 H LYS A 101 -5.211 22.518 9.513 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.488 21.692 12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.806 23.311 10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.849 24.559 11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.469 23.594 13.786 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.323 22.471 13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.846 24.136 13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.278 24.719 12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.669 26.655 13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.251 25.924 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.396 26.719 15.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.551 25.029 15.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.019 25.737 15.386 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.545 22.631 13.123 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.736 23.187 13.738 1.00 0.00 C ATOM 1526 C GLY A 102 -8.809 22.899 15.225 1.00 0.00 C ATOM 1527 O GLY A 102 -7.953 22.204 15.772 1.00 0.00 O ATOM 0 H GLY A 102 -7.230 21.746 13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.754 24.265 13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.619 22.777 13.248 1.00 0.00 H new ATOM 1531 N SER A 103 -9.833 23.436 15.880 1.00 0.00 N ATOM 1532 CA SER A 103 -10.012 23.238 17.314 1.00 0.00 C ATOM 1533 C SER A 103 -11.412 22.715 17.620 1.00 0.00 C ATOM 1534 O SER A 103 -12.378 23.005 16.914 1.00 0.00 O ATOM 1535 CB SER A 103 -9.769 24.548 18.065 1.00 0.00 C ATOM 1536 OG SER A 103 -10.616 25.577 17.584 1.00 0.00 O ATOM 0 H SER A 103 -10.551 24.012 15.441 1.00 0.00 H new ATOM 0 HA SER A 103 -9.286 22.497 17.647 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.943 24.398 19.130 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.727 24.848 17.952 1.00 0.00 H new ATOM 0 HG SER A 103 -10.442 26.403 18.082 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.525 21.925 18.698 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.381 21.572 19.544 1.00 0.00 C ATOM 1544 C PRO A 104 -9.405 20.637 18.840 1.00 0.00 C ATOM 1545 O PRO A 104 -8.366 20.277 19.394 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.029 20.868 20.739 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.314 20.331 20.212 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.778 21.314 19.172 1.00 0.00 C ATOM 0 HA PRO A 104 -9.790 22.446 19.815 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.393 20.069 21.120 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.198 21.561 21.563 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.175 19.341 19.778 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.051 20.229 21.009 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.315 20.819 18.363 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.453 22.058 19.595 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.744 20.248 17.616 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.896 19.355 16.835 1.00 0.00 C ATOM 1558 C ASP A 105 -9.024 19.650 15.343 1.00 0.00 C ATOM 1559 O ASP A 105 -9.816 20.500 14.935 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.262 17.896 17.112 1.00 0.00 C ATOM 1561 CG ASP A 105 -10.477 17.445 16.324 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -11.391 18.270 16.117 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -10.512 16.266 15.914 1.00 0.00 O ATOM 0 H ASP A 105 -10.600 20.537 17.143 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.861 19.525 17.133 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.414 17.258 16.863 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.455 17.769 18.177 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.240 18.945 14.536 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.266 19.131 13.090 1.00 0.00 C ATOM 1570 C ASP A 106 -9.644 18.799 12.524 1.00 0.00 C ATOM 1571 O ASP A 106 -10.535 18.359 13.250 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.203 18.257 12.423 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.138 16.865 13.021 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.210 16.261 13.236 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.016 16.381 13.275 1.00 0.00 O ATOM 0 H ASP A 106 -7.578 18.239 14.858 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.049 20.178 12.879 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.416 18.181 11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.229 18.737 12.520 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.810 19.014 11.223 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.079 18.738 10.559 1.00 0.00 C ATOM 1582 C VAL A 107 -10.860 18.310 9.112 1.00 0.00 C ATOM 1583 O VAL A 107 -10.123 18.957 8.369 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.005 19.969 10.585 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.199 19.758 9.666 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.460 20.263 12.006 1.00 0.00 C ATOM 0 H VAL A 107 -9.082 19.378 10.608 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.554 17.924 11.107 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.446 20.831 10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.842 20.638 9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.849 19.600 8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.762 18.885 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.113 21.136 12.006 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.003 19.404 12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.591 20.461 12.633 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.506 17.217 8.720 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.382 16.703 7.361 1.00 0.00 C ATOM 1598 C GLU A 108 -11.779 17.764 6.339 1.00 0.00 C ATOM 1599 O GLU A 108 -12.955 18.104 6.206 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.251 15.456 7.182 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.336 14.975 5.743 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.063 13.651 5.613 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.027 13.425 6.374 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -12.667 12.840 4.750 1.00 0.00 O ATOM 0 H GLU A 108 -12.120 16.670 9.324 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.338 16.437 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.852 14.653 7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.256 15.669 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.848 15.727 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.329 14.874 5.337 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.790 18.285 5.620 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.035 19.308 4.611 1.00 0.00 C ATOM 1613 C PHE A 109 -11.281 18.677 3.244 1.00 0.00 C ATOM 1614 O PHE A 109 -12.342 18.855 2.646 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.850 20.273 4.535 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.979 21.295 3.442 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.803 22.397 3.599 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.274 21.153 2.257 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.924 23.338 2.594 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.390 22.092 1.248 1.00 0.00 C ATOM 1621 CZ PHE A 109 -10.215 23.186 1.418 1.00 0.00 C ATOM 0 H PHE A 109 -9.811 18.015 5.718 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.928 19.862 4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.748 20.786 5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.935 19.701 4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.357 22.522 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.627 20.299 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.572 24.191 2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.836 21.970 0.329 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.306 23.922 0.633 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.291 17.938 2.754 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.397 17.278 1.458 1.00 0.00 C ATOM 1633 C LYS A 110 -10.389 15.761 1.618 1.00 0.00 C ATOM 1634 O LYS A 110 -10.399 15.245 2.735 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.247 17.712 0.547 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.654 17.886 -0.906 1.00 0.00 C ATOM 1637 CD LYS A 110 -10.059 19.320 -1.204 1.00 0.00 C ATOM 1638 CE LYS A 110 -11.268 19.739 -0.383 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.741 21.103 -0.748 1.00 0.00 N ATOM 0 H LYS A 110 -9.406 17.781 3.235 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.343 17.572 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.838 18.652 0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.449 16.972 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.826 17.599 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.484 17.218 -1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.224 19.987 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -10.285 19.422 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -12.075 19.022 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.014 19.714 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.765 21.173 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.245 21.809 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.544 21.281 -1.754 1.00 0.00 H new ATOM 1653 N SER A 111 -10.370 15.053 0.493 1.00 0.00 N ATOM 1654 CA SER A 111 -10.363 13.594 0.509 1.00 0.00 C ATOM 1655 C SER A 111 -9.789 13.040 -0.791 1.00 0.00 C ATOM 1656 O SER A 111 -10.177 13.457 -1.882 1.00 0.00 O ATOM 1657 CB SER A 111 -11.781 13.059 0.723 1.00 0.00 C ATOM 1658 OG SER A 111 -11.806 11.643 0.661 1.00 0.00 O ATOM 0 H SER A 111 -10.359 15.465 -0.440 1.00 0.00 H new ATOM 0 HA SER A 111 -9.730 13.267 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.156 13.391 1.691 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.447 13.471 -0.035 1.00 0.00 H new ATOM 0 HG SER A 111 -12.722 11.325 0.802 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.861 12.096 -0.666 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.247 11.500 -1.838 1.00 0.00 C ATOM 1666 C GLY A 112 -9.241 10.729 -2.684 1.00 0.00 C ATOM 1667 O GLY A 112 -10.303 10.336 -2.203 1.00 0.00 O ATOM 0 H GLY A 112 -8.524 11.734 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.790 12.283 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.446 10.831 -1.524 1.00 0.00 H new ATOM 1671 N ALA A 113 -8.897 10.514 -3.950 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.767 9.785 -4.864 1.00 0.00 C ATOM 1673 C ALA A 113 -10.054 8.380 -4.346 1.00 0.00 C ATOM 1674 O ALA A 113 -11.186 7.902 -4.413 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.141 9.721 -6.250 1.00 0.00 C ATOM 0 H ALA A 113 -8.022 10.834 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.714 10.320 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -9.801 9.174 -6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.993 10.732 -6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.179 9.211 -6.192 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.021 7.721 -3.830 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.183 6.377 -3.309 1.00 0.00 C ATOM 1683 C GLY A 114 -8.301 5.369 -4.019 1.00 0.00 C ATOM 1684 O GLY A 114 -8.711 4.762 -5.010 1.00 0.00 O ATOM 0 H GLY A 114 -8.074 8.095 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.950 6.373 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.226 6.076 -3.408 1.00 0.00 H new ATOM 1688 N THR A 115 -7.085 5.189 -3.514 1.00 0.00 N ATOM 1689 CA THR A 115 -6.141 4.251 -4.108 1.00 0.00 C ATOM 1690 C THR A 115 -6.509 2.811 -3.766 1.00 0.00 C ATOM 1691 O THR A 115 -6.361 2.379 -2.624 1.00 0.00 O ATOM 1692 CB THR A 115 -4.701 4.527 -3.636 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.296 5.839 -4.043 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.739 3.494 -4.203 1.00 0.00 C ATOM 0 H THR A 115 -6.730 5.681 -2.694 1.00 0.00 H new ATOM 0 HA THR A 115 -6.194 4.391 -5.188 1.00 0.00 H new ATOM 0 HB THR A 115 -4.679 4.462 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.982 5.811 -4.971 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.728 3.709 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.034 2.500 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.765 3.532 -5.292 1.00 0.00 H new ATOM 1702 N GLU A 116 -6.987 2.074 -4.764 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.375 0.683 -4.567 1.00 0.00 C ATOM 1704 C GLU A 116 -6.146 -0.207 -4.403 1.00 0.00 C ATOM 1705 O GLU A 116 -5.270 -0.241 -5.267 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.219 0.194 -5.746 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.291 -1.320 -5.856 1.00 0.00 C ATOM 1708 CD GLU A 116 -7.186 -1.896 -6.718 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -7.289 -1.797 -7.959 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -6.218 -2.447 -6.154 1.00 0.00 O ATOM 0 H GLU A 116 -7.115 2.417 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.969 0.624 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.229 0.591 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.806 0.598 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.233 -1.756 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.257 -1.605 -6.273 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.089 -0.926 -3.287 1.00 0.00 N ATOM 1718 CA LEU A 117 -4.967 -1.816 -3.007 1.00 0.00 C ATOM 1719 C LEU A 117 -5.316 -3.259 -3.360 1.00 0.00 C ATOM 1720 O LEU A 117 -6.337 -3.786 -2.919 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.570 -1.721 -1.533 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.405 -2.609 -1.093 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.110 -2.152 -1.746 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.273 -2.602 0.422 1.00 0.00 C ATOM 0 H LEU A 117 -6.806 -0.910 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.124 -1.504 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.314 -0.685 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.440 -1.971 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.609 -3.630 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.292 -2.795 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.209 -2.210 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.899 -1.123 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.439 -3.239 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.092 -1.584 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.193 -2.978 0.869 1.00 0.00 H new ATOM 1736 N SER A 118 -4.461 -3.892 -4.156 1.00 0.00 N ATOM 1737 CA SER A 118 -4.679 -5.273 -4.569 1.00 0.00 C ATOM 1738 C SER A 118 -3.670 -6.205 -3.905 1.00 0.00 C ATOM 1739 O SER A 118 -2.556 -6.384 -4.397 1.00 0.00 O ATOM 1740 CB SER A 118 -4.579 -5.394 -6.091 1.00 0.00 C ATOM 1741 OG SER A 118 -5.849 -5.237 -6.700 1.00 0.00 O ATOM 0 H SER A 118 -3.610 -3.470 -4.528 1.00 0.00 H new ATOM 0 HA SER A 118 -5.680 -5.567 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.893 -4.639 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.163 -6.366 -6.355 1.00 0.00 H new ATOM 0 HG SER A 118 -6.145 -4.308 -6.605 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.069 -6.796 -2.783 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.201 -7.711 -2.051 1.00 0.00 C ATOM 1749 C VAL A 119 -3.210 -9.099 -2.680 1.00 0.00 C ATOM 1750 O VAL A 119 -4.208 -9.817 -2.609 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.624 -7.825 -0.575 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.767 -8.852 0.149 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.537 -6.469 0.110 1.00 0.00 C ATOM 0 H VAL A 119 -4.987 -6.658 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.193 -7.300 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.660 -8.161 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.081 -8.918 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.884 -9.825 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.721 -8.550 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.839 -6.568 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.511 -6.103 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.198 -5.764 -0.394 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.093 -9.472 -3.296 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.973 -10.775 -3.938 1.00 0.00 C ATOM 1765 C ARG A 120 -1.457 -11.821 -2.954 1.00 0.00 C ATOM 1766 O ARG A 120 -0.328 -11.731 -2.472 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.036 -10.688 -5.144 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.649 -9.982 -6.342 1.00 0.00 C ATOM 1769 CD ARG A 120 -2.535 -10.919 -7.148 1.00 0.00 C ATOM 1770 NE ARG A 120 -3.482 -10.189 -7.987 1.00 0.00 N ATOM 1771 CZ ARG A 120 -4.596 -9.633 -7.525 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -4.901 -9.721 -6.238 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -5.408 -8.985 -8.352 1.00 0.00 N ATOM 0 H ARG A 120 -1.258 -8.890 -3.364 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.964 -11.078 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.127 -10.163 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.742 -11.695 -5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.235 -9.128 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.856 -9.591 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -1.912 -11.557 -7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.082 -11.574 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 120 -3.276 -10.102 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.279 -10.217 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.757 -9.293 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.176 -8.914 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.263 -8.558 -7.996 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.292 -12.812 -2.659 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.920 -13.875 -1.734 1.00 0.00 C ATOM 1789 C ALA A 121 -0.490 -14.342 -1.981 1.00 0.00 C ATOM 1790 O ALA A 121 0.038 -14.203 -3.085 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.888 -15.043 -1.856 1.00 0.00 C ATOM 0 H ALA A 121 -3.231 -12.901 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.974 -13.477 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.598 -15.830 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.897 -14.705 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.862 -15.432 -2.874 1.00 0.00 H new ATOM 1797 N LYS A 122 0.133 -14.897 -0.947 1.00 0.00 N ATOM 1798 CA LYS A 122 1.503 -15.386 -1.051 1.00 0.00 C ATOM 1799 C LYS A 122 1.765 -15.981 -2.431 1.00 0.00 C ATOM 1800 O LYS A 122 0.877 -16.549 -3.068 1.00 0.00 O ATOM 1801 CB LYS A 122 1.775 -16.436 0.029 1.00 0.00 C ATOM 1802 CG LYS A 122 1.164 -17.793 -0.275 1.00 0.00 C ATOM 1803 CD LYS A 122 1.841 -18.899 0.518 1.00 0.00 C ATOM 1804 CE LYS A 122 3.041 -19.465 -0.227 1.00 0.00 C ATOM 1805 NZ LYS A 122 4.008 -20.121 0.695 1.00 0.00 N ATOM 0 H LYS A 122 -0.289 -15.020 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 122 2.176 -14.541 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.852 -16.551 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.384 -16.076 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.100 -17.775 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.252 -18.002 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.162 -18.511 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.125 -19.697 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.700 -20.187 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.543 -18.663 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.811 -20.493 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.353 -19.426 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.537 -20.902 1.194 1.00 0.00 H new