USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 1 GLN N :NH3+ -167:sc= -0.0342 (180deg=-0.285) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -158:sc= -0.0444 (180deg=-0.389) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -32:sc= 1.24 USER MOD Single : A 9 SER OG : rot 180:sc= -0.555 USER MOD Single : A 13 THR OG1 : rot -29:sc= 0.0245 USER MOD Single : A 14 ASN : amide:sc= -4.85! C(o=-4.9!,f=-8.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : A 32 HIS : no HE2:sc= 0.758 K(o=0.76,f=-3.6!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0839 USER MOD Single : A 39 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.9!) USER MOD Single : A 44 MET CE :methyl 141:sc= -5.36! (180deg=-8.54!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.26! C(o=-2.3!,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.82 (180deg=-4.51!) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.481 (180deg=-0.601) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.056 -0.131 0.009 1.00 40.41 N ATOM 2 CA GLN A 1 1.839 -0.124 -1.221 1.00 52.52 C ATOM 3 C GLN A 1 1.710 -1.454 -1.956 1.00 4.21 C ATOM 4 O GLN A 1 1.801 -1.508 -3.183 1.00 22.24 O ATOM 5 CB GLN A 1 3.310 0.163 -0.913 1.00 75.41 C ATOM 6 CG GLN A 1 4.121 0.561 -2.135 1.00 52.43 C ATOM 7 CD GLN A 1 5.475 1.139 -1.774 1.00 20.02 C ATOM 8 OE1 GLN A 1 5.759 2.305 -2.050 1.00 23.21 O ATOM 9 NE2 GLN A 1 6.320 0.324 -1.152 1.00 54.33 N ATOM 0 H1 GLN A 1 0.978 0.839 0.376 1.00 40.41 H new ATOM 0 H2 GLN A 1 0.105 -0.505 -0.187 1.00 40.41 H new ATOM 0 H3 GLN A 1 1.526 -0.732 0.716 1.00 40.41 H new ATOM 0 HA GLN A 1 1.450 0.665 -1.865 1.00 52.52 H new ATOM 0 HB2 GLN A 1 3.369 0.961 -0.173 1.00 75.41 H new ATOM 0 HB3 GLN A 1 3.758 -0.723 -0.463 1.00 75.41 H new ATOM 0 HG2 GLN A 1 4.261 -0.311 -2.773 1.00 52.43 H new ATOM 0 HG3 GLN A 1 3.560 1.294 -2.715 1.00 52.43 H new ATOM 0 HE21 GLN A 1 6.043 -0.635 -0.943 1.00 54.33 H new ATOM 0 HE22 GLN A 1 7.246 0.657 -0.884 1.00 54.33 H new ATOM 18 N TYR A 2 1.499 -2.524 -1.198 1.00 63.22 N ATOM 19 CA TYR A 2 1.361 -3.855 -1.777 1.00 63.32 C ATOM 20 C TYR A 2 0.322 -4.674 -1.018 1.00 72.42 C ATOM 21 O TYR A 2 -0.315 -4.182 -0.087 1.00 31.24 O ATOM 22 CB TYR A 2 2.707 -4.582 -1.765 1.00 44.30 C ATOM 23 CG TYR A 2 3.673 -4.086 -2.818 1.00 14.21 C ATOM 24 CD1 TYR A 2 3.661 -4.613 -4.103 1.00 73.12 C ATOM 25 CD2 TYR A 2 4.596 -3.089 -2.527 1.00 50.14 C ATOM 26 CE1 TYR A 2 4.541 -4.163 -5.068 1.00 23.51 C ATOM 27 CE2 TYR A 2 5.479 -2.632 -3.486 1.00 64.12 C ATOM 28 CZ TYR A 2 5.449 -3.173 -4.755 1.00 15.23 C ATOM 29 OH TYR A 2 6.326 -2.721 -5.713 1.00 64.24 O ATOM 0 H TYR A 2 1.420 -2.496 -0.181 1.00 63.22 H new ATOM 0 HA TYR A 2 1.026 -3.742 -2.808 1.00 63.32 H new ATOM 0 HB2 TYR A 2 3.164 -4.467 -0.782 1.00 44.30 H new ATOM 0 HB3 TYR A 2 2.536 -5.648 -1.914 1.00 44.30 H new ATOM 0 HD1 TYR A 2 2.951 -5.388 -4.352 1.00 73.12 H new ATOM 0 HD2 TYR A 2 4.624 -2.664 -1.534 1.00 50.14 H new ATOM 0 HE1 TYR A 2 4.518 -4.584 -6.062 1.00 23.51 H new ATOM 0 HE2 TYR A 2 6.189 -1.855 -3.244 1.00 64.12 H new ATOM 0 HH TYR A 2 6.897 -2.022 -5.330 1.00 64.24 H new ATOM 39 N LYS A 3 0.156 -5.929 -1.424 1.00 12.14 N ATOM 40 CA LYS A 3 -0.804 -6.820 -0.783 1.00 11.23 C ATOM 41 C LYS A 3 -0.097 -7.808 0.140 1.00 15.31 C ATOM 42 O LYS A 3 0.691 -8.638 -0.312 1.00 61.41 O ATOM 43 CB LYS A 3 -1.610 -7.579 -1.839 1.00 33.22 C ATOM 44 CG LYS A 3 -2.989 -8.003 -1.363 1.00 21.31 C ATOM 45 CD LYS A 3 -3.906 -8.329 -2.530 1.00 22.51 C ATOM 46 CE LYS A 3 -4.597 -7.083 -3.061 1.00 41.01 C ATOM 47 NZ LYS A 3 -5.576 -6.533 -2.083 1.00 51.54 N ATOM 0 H LYS A 3 0.674 -6.352 -2.194 1.00 12.14 H new ATOM 0 HA LYS A 3 -1.483 -6.212 -0.184 1.00 11.23 H new ATOM 0 HB2 LYS A 3 -1.717 -6.951 -2.723 1.00 33.22 H new ATOM 0 HB3 LYS A 3 -1.052 -8.464 -2.143 1.00 33.22 H new ATOM 0 HG2 LYS A 3 -2.899 -8.875 -0.715 1.00 21.31 H new ATOM 0 HG3 LYS A 3 -3.430 -7.205 -0.765 1.00 21.31 H new ATOM 0 HD2 LYS A 3 -3.329 -8.794 -3.329 1.00 22.51 H new ATOM 0 HD3 LYS A 3 -4.655 -9.055 -2.214 1.00 22.51 H new ATOM 0 HE2 LYS A 3 -3.850 -6.324 -3.293 1.00 41.01 H new ATOM 0 HE3 LYS A 3 -5.109 -7.321 -3.993 1.00 41.01 H new ATOM 0 HZ1 LYS A 3 -6.274 -5.946 -2.583 1.00 51.54 H new ATOM 0 HZ2 LYS A 3 -6.063 -7.316 -1.602 1.00 51.54 H new ATOM 0 HZ3 LYS A 3 -5.076 -5.953 -1.380 1.00 51.54 H new ATOM 61 N ILE A 4 -0.386 -7.713 1.434 1.00 52.45 N ATOM 62 CA ILE A 4 0.220 -8.600 2.418 1.00 11.13 C ATOM 63 C ILE A 4 -0.228 -10.042 2.208 1.00 64.43 C ATOM 64 O ILE A 4 -1.286 -10.451 2.686 1.00 72.04 O ATOM 65 CB ILE A 4 -0.131 -8.170 3.855 1.00 41.00 C ATOM 66 CG1 ILE A 4 0.223 -6.697 4.071 1.00 64.23 C ATOM 67 CG2 ILE A 4 0.595 -9.048 4.863 1.00 62.31 C ATOM 68 CD1 ILE A 4 1.699 -6.402 3.915 1.00 13.43 C ATOM 0 H ILE A 4 -1.036 -7.031 1.824 1.00 52.45 H new ATOM 0 HA ILE A 4 1.299 -8.533 2.280 1.00 11.13 H new ATOM 0 HB ILE A 4 -1.204 -8.292 4.003 1.00 41.00 H new ATOM 0 HG12 ILE A 4 -0.338 -6.089 3.361 1.00 64.23 H new ATOM 0 HG13 ILE A 4 -0.096 -6.397 5.069 1.00 64.23 H new ATOM 0 HG21 ILE A 4 0.337 -8.732 5.874 1.00 62.31 H new ATOM 0 HG22 ILE A 4 0.298 -10.087 4.721 1.00 62.31 H new ATOM 0 HG23 ILE A 4 1.671 -8.955 4.718 1.00 62.31 H new ATOM 0 HD11 ILE A 4 1.877 -5.340 4.082 1.00 13.43 H new ATOM 0 HD12 ILE A 4 2.265 -6.984 4.643 1.00 13.43 H new ATOM 0 HD13 ILE A 4 2.019 -6.670 2.908 1.00 13.43 H new ATOM 80 N TYR A 5 0.586 -10.810 1.491 1.00 1.31 N ATOM 81 CA TYR A 5 0.274 -12.207 1.217 1.00 61.35 C ATOM 82 C TYR A 5 0.756 -13.106 2.351 1.00 31.12 C ATOM 83 O TYR A 5 1.617 -12.735 3.149 1.00 13.32 O ATOM 84 CB TYR A 5 0.914 -12.645 -0.102 1.00 54.23 C ATOM 85 CG TYR A 5 0.054 -12.366 -1.314 1.00 54.32 C ATOM 86 CD1 TYR A 5 -1.263 -12.805 -1.372 1.00 14.13 C ATOM 87 CD2 TYR A 5 0.558 -11.664 -2.402 1.00 0.10 C ATOM 88 CE1 TYR A 5 -2.053 -12.553 -2.477 1.00 41.01 C ATOM 89 CE2 TYR A 5 -0.225 -11.406 -3.511 1.00 25.12 C ATOM 90 CZ TYR A 5 -1.529 -11.853 -3.544 1.00 11.23 C ATOM 91 OH TYR A 5 -2.311 -11.599 -4.647 1.00 74.21 O ATOM 0 H TYR A 5 1.467 -10.488 1.089 1.00 1.31 H new ATOM 0 HA TYR A 5 -0.809 -12.302 1.138 1.00 61.35 H new ATOM 0 HB2 TYR A 5 1.870 -12.134 -0.220 1.00 54.23 H new ATOM 0 HB3 TYR A 5 1.127 -13.713 -0.056 1.00 54.23 H new ATOM 0 HD1 TYR A 5 -1.677 -13.353 -0.538 1.00 14.13 H new ATOM 0 HD2 TYR A 5 1.579 -11.314 -2.381 1.00 0.10 H new ATOM 0 HE1 TYR A 5 -3.075 -12.902 -2.505 1.00 41.01 H new ATOM 0 HE2 TYR A 5 0.182 -10.857 -4.347 1.00 25.12 H new ATOM 0 HH TYR A 5 -3.249 -11.527 -4.373 1.00 74.21 H new ATOM 101 N PRO A 6 0.188 -14.319 2.425 1.00 22.13 N ATOM 102 CA PRO A 6 0.544 -15.298 3.457 1.00 41.11 C ATOM 103 C PRO A 6 1.949 -15.859 3.264 1.00 74.25 C ATOM 104 O PRO A 6 2.348 -16.189 2.146 1.00 14.52 O ATOM 105 CB PRO A 6 -0.502 -16.401 3.276 1.00 51.44 C ATOM 106 CG PRO A 6 -0.926 -16.290 1.852 1.00 61.23 C ATOM 107 CD PRO A 6 -0.844 -14.829 1.508 1.00 55.45 C ATOM 0 HA PRO A 6 0.549 -14.856 4.453 1.00 41.11 H new ATOM 0 HB2 PRO A 6 -0.082 -17.384 3.489 1.00 51.44 H new ATOM 0 HB3 PRO A 6 -1.345 -16.262 3.952 1.00 51.44 H new ATOM 0 HG2 PRO A 6 -0.277 -16.880 1.205 1.00 61.23 H new ATOM 0 HG3 PRO A 6 -1.940 -16.667 1.716 1.00 61.23 H new ATOM 0 HD2 PRO A 6 -0.565 -14.677 0.465 1.00 55.45 H new ATOM 0 HD3 PRO A 6 -1.799 -14.327 1.659 1.00 55.45 H new ATOM 115 N TYR A 7 2.694 -15.966 4.358 1.00 73.11 N ATOM 116 CA TYR A 7 4.055 -16.486 4.308 1.00 20.00 C ATOM 117 C TYR A 7 4.057 -17.980 4.000 1.00 35.45 C ATOM 118 O TYR A 7 4.947 -18.484 3.315 1.00 0.34 O ATOM 119 CB TYR A 7 4.771 -16.226 5.634 1.00 25.33 C ATOM 120 CG TYR A 7 6.161 -16.820 5.698 1.00 12.53 C ATOM 121 CD1 TYR A 7 7.220 -16.234 5.016 1.00 10.21 C ATOM 122 CD2 TYR A 7 6.414 -17.966 6.442 1.00 3.41 C ATOM 123 CE1 TYR A 7 8.491 -16.773 5.071 1.00 34.03 C ATOM 124 CE2 TYR A 7 7.682 -18.511 6.504 1.00 1.12 C ATOM 125 CZ TYR A 7 8.717 -17.911 5.817 1.00 73.33 C ATOM 126 OH TYR A 7 9.981 -18.451 5.875 1.00 3.34 O ATOM 0 H TYR A 7 2.378 -15.700 5.291 1.00 73.11 H new ATOM 0 HA TYR A 7 4.585 -15.969 3.509 1.00 20.00 H new ATOM 0 HB2 TYR A 7 4.837 -15.150 5.797 1.00 25.33 H new ATOM 0 HB3 TYR A 7 4.172 -16.636 6.447 1.00 25.33 H new ATOM 0 HD1 TYR A 7 7.047 -15.342 4.433 1.00 10.21 H new ATOM 0 HD2 TYR A 7 5.606 -18.439 6.981 1.00 3.41 H new ATOM 0 HE1 TYR A 7 9.303 -16.306 4.533 1.00 34.03 H new ATOM 0 HE2 TYR A 7 7.862 -19.402 7.087 1.00 1.12 H new ATOM 0 HH TYR A 7 10.446 -18.288 5.028 1.00 3.34 H new ATOM 136 N ASP A 8 3.052 -18.684 4.512 1.00 42.34 N ATOM 137 CA ASP A 8 2.935 -20.120 4.291 1.00 32.52 C ATOM 138 C ASP A 8 2.758 -20.430 2.808 1.00 72.00 C ATOM 139 O ASP A 8 3.183 -21.481 2.328 1.00 54.10 O ATOM 140 CB ASP A 8 1.757 -20.686 5.087 1.00 43.40 C ATOM 141 CG ASP A 8 0.504 -19.845 4.941 1.00 33.54 C ATOM 142 OD1 ASP A 8 -0.101 -19.868 3.850 1.00 54.25 O ATOM 143 OD2 ASP A 8 0.128 -19.165 5.919 1.00 3.12 O ATOM 0 H ASP A 8 2.308 -18.283 5.082 1.00 42.34 H new ATOM 0 HA ASP A 8 3.856 -20.591 4.634 1.00 32.52 H new ATOM 0 HB2 ASP A 8 1.550 -21.702 4.752 1.00 43.40 H new ATOM 0 HB3 ASP A 8 2.030 -20.747 6.141 1.00 43.40 H new ATOM 148 N SER A 9 2.127 -19.508 2.087 1.00 32.35 N ATOM 149 CA SER A 9 1.889 -19.685 0.660 1.00 51.13 C ATOM 150 C SER A 9 2.958 -18.971 -0.162 1.00 24.14 C ATOM 151 O SER A 9 3.233 -19.343 -1.303 1.00 74.43 O ATOM 152 CB SER A 9 0.503 -19.157 0.283 1.00 44.22 C ATOM 153 OG SER A 9 -0.221 -20.116 -0.467 1.00 35.31 O ATOM 0 H SER A 9 1.772 -18.631 2.468 1.00 32.35 H new ATOM 0 HA SER A 9 1.937 -20.751 0.439 1.00 51.13 H new ATOM 0 HB2 SER A 9 -0.051 -18.904 1.187 1.00 44.22 H new ATOM 0 HB3 SER A 9 0.605 -18.239 -0.296 1.00 44.22 H new ATOM 0 HG SER A 9 -1.103 -19.755 -0.694 1.00 35.31 H new ATOM 159 N LEU A 10 3.559 -17.943 0.427 1.00 24.34 N ATOM 160 CA LEU A 10 4.600 -17.176 -0.248 1.00 53.53 C ATOM 161 C LEU A 10 5.907 -17.959 -0.301 1.00 23.10 C ATOM 162 O LEU A 10 6.674 -17.842 -1.257 1.00 62.13 O ATOM 163 CB LEU A 10 4.820 -15.840 0.465 1.00 63.41 C ATOM 164 CG LEU A 10 4.042 -14.647 -0.089 1.00 52.34 C ATOM 165 CD1 LEU A 10 4.319 -13.399 0.735 1.00 21.32 C ATOM 166 CD2 LEU A 10 4.395 -14.412 -1.551 1.00 1.32 C ATOM 0 H LEU A 10 3.343 -17.621 1.371 1.00 24.34 H new ATOM 0 HA LEU A 10 4.271 -16.986 -1.270 1.00 53.53 H new ATOM 0 HB2 LEU A 10 4.556 -15.964 1.515 1.00 63.41 H new ATOM 0 HB3 LEU A 10 5.883 -15.603 0.429 1.00 63.41 H new ATOM 0 HG LEU A 10 2.977 -14.871 -0.024 1.00 52.34 H new ATOM 0 HD11 LEU A 10 3.756 -12.560 0.325 1.00 21.32 H new ATOM 0 HD12 LEU A 10 4.015 -13.570 1.768 1.00 21.32 H new ATOM 0 HD13 LEU A 10 5.384 -13.171 0.703 1.00 21.32 H new ATOM 0 HD21 LEU A 10 3.832 -13.559 -1.929 1.00 1.32 H new ATOM 0 HD22 LEU A 10 5.462 -14.210 -1.640 1.00 1.32 H new ATOM 0 HD23 LEU A 10 4.144 -15.299 -2.133 1.00 1.32 H new ATOM 178 N ILE A 11 6.154 -18.759 0.731 1.00 12.31 N ATOM 179 CA ILE A 11 7.367 -19.564 0.800 1.00 32.03 C ATOM 180 C ILE A 11 7.487 -20.483 -0.411 1.00 15.21 C ATOM 181 O ILE A 11 6.563 -21.231 -0.730 1.00 34.34 O ATOM 182 CB ILE A 11 7.405 -20.416 2.083 1.00 75.14 C ATOM 183 CG1 ILE A 11 6.103 -21.207 2.234 1.00 3.43 C ATOM 184 CG2 ILE A 11 7.639 -19.533 3.299 1.00 52.31 C ATOM 185 CD1 ILE A 11 6.074 -22.093 3.459 1.00 21.34 C ATOM 0 H ILE A 11 5.530 -18.867 1.531 1.00 12.31 H new ATOM 0 HA ILE A 11 8.207 -18.869 0.810 1.00 32.03 H new ATOM 0 HB ILE A 11 8.231 -21.123 2.008 1.00 75.14 H new ATOM 0 HG12 ILE A 11 5.267 -20.509 2.280 1.00 3.43 H new ATOM 0 HG13 ILE A 11 5.956 -21.823 1.347 1.00 3.43 H new ATOM 0 HG21 ILE A 11 7.663 -20.150 4.197 1.00 52.31 H new ATOM 0 HG22 ILE A 11 8.590 -19.011 3.192 1.00 52.31 H new ATOM 0 HG23 ILE A 11 6.832 -18.805 3.381 1.00 52.31 H new ATOM 0 HD11 ILE A 11 5.123 -22.623 3.502 1.00 21.34 H new ATOM 0 HD12 ILE A 11 6.889 -22.814 3.406 1.00 21.34 H new ATOM 0 HD13 ILE A 11 6.189 -21.481 4.354 1.00 21.34 H new ATOM 197 N VAL A 12 8.632 -20.422 -1.082 1.00 43.11 N ATOM 198 CA VAL A 12 8.875 -21.250 -2.257 1.00 21.51 C ATOM 199 C VAL A 12 8.826 -22.733 -1.904 1.00 10.33 C ATOM 200 O VAL A 12 8.562 -23.578 -2.759 1.00 61.42 O ATOM 201 CB VAL A 12 10.239 -20.931 -2.897 1.00 24.44 C ATOM 202 CG1 VAL A 12 10.371 -19.438 -3.157 1.00 23.54 C ATOM 203 CG2 VAL A 12 11.372 -21.429 -2.011 1.00 51.22 C ATOM 0 H VAL A 12 9.407 -19.807 -0.832 1.00 43.11 H new ATOM 0 HA VAL A 12 8.085 -21.023 -2.973 1.00 21.51 H new ATOM 0 HB VAL A 12 10.302 -21.449 -3.854 1.00 24.44 H new ATOM 0 HG11 VAL A 12 11.341 -19.232 -3.609 1.00 23.54 H new ATOM 0 HG12 VAL A 12 9.579 -19.115 -3.833 1.00 23.54 H new ATOM 0 HG13 VAL A 12 10.287 -18.896 -2.215 1.00 23.54 H new ATOM 0 HG21 VAL A 12 12.329 -21.195 -2.478 1.00 51.22 H new ATOM 0 HG22 VAL A 12 11.314 -20.941 -1.038 1.00 51.22 H new ATOM 0 HG23 VAL A 12 11.285 -22.508 -1.881 1.00 51.22 H new ATOM 213 N THR A 13 9.081 -23.042 -0.636 1.00 65.32 N ATOM 214 CA THR A 13 9.067 -24.423 -0.169 1.00 2.42 C ATOM 215 C THR A 13 7.691 -25.052 -0.355 1.00 65.13 C ATOM 216 O THR A 13 7.553 -26.274 -0.359 1.00 63.53 O ATOM 217 CB THR A 13 9.465 -24.517 1.316 1.00 4.02 C ATOM 218 OG1 THR A 13 9.417 -25.881 1.751 1.00 52.53 O ATOM 219 CG2 THR A 13 8.541 -23.671 2.179 1.00 22.21 C ATOM 0 H THR A 13 9.300 -22.355 0.085 1.00 65.32 H new ATOM 0 HA THR A 13 9.796 -24.967 -0.769 1.00 2.42 H new ATOM 0 HB THR A 13 10.482 -24.138 1.421 1.00 4.02 H new ATOM 0 HG1 THR A 13 8.749 -26.369 1.226 1.00 52.53 H new ATOM 0 HG21 THR A 13 8.842 -23.753 3.223 1.00 22.21 H new ATOM 0 HG22 THR A 13 8.603 -22.629 1.865 1.00 22.21 H new ATOM 0 HG23 THR A 13 7.516 -24.023 2.068 1.00 22.21 H new ATOM 227 N ASN A 14 6.676 -24.209 -0.510 1.00 40.32 N ATOM 228 CA ASN A 14 5.310 -24.683 -0.698 1.00 32.55 C ATOM 229 C ASN A 14 4.968 -24.786 -2.181 1.00 1.11 C ATOM 230 O ASN A 14 3.840 -25.116 -2.547 1.00 61.21 O ATOM 231 CB ASN A 14 4.322 -23.747 0.001 1.00 20.25 C ATOM 232 CG ASN A 14 3.042 -24.454 0.405 1.00 4.12 C ATOM 233 OD1 ASN A 14 2.012 -24.322 -0.255 1.00 41.45 O ATOM 234 ND2 ASN A 14 3.103 -25.209 1.496 1.00 72.54 N ATOM 0 H ASN A 14 6.774 -23.194 -0.509 1.00 40.32 H new ATOM 0 HA ASN A 14 5.234 -25.677 -0.256 1.00 32.55 H new ATOM 0 HB2 ASN A 14 4.794 -23.321 0.887 1.00 20.25 H new ATOM 0 HB3 ASN A 14 4.081 -22.916 -0.662 1.00 20.25 H new ATOM 0 HD21 ASN A 14 2.274 -25.709 1.818 1.00 72.54 H new ATOM 0 HD22 ASN A 14 3.979 -25.289 2.012 1.00 72.54 H new ATOM 241 N ARG A 15 5.950 -24.501 -3.030 1.00 1.22 N ATOM 242 CA ARG A 15 5.754 -24.560 -4.473 1.00 74.22 C ATOM 243 C ARG A 15 5.160 -25.904 -4.886 1.00 42.13 C ATOM 244 O ARG A 15 4.430 -25.994 -5.874 1.00 13.55 O ATOM 245 CB ARG A 15 7.080 -24.331 -5.200 1.00 23.53 C ATOM 246 CG ARG A 15 7.456 -22.865 -5.335 1.00 55.24 C ATOM 247 CD ARG A 15 8.933 -22.695 -5.651 1.00 4.23 C ATOM 248 NE ARG A 15 9.338 -23.479 -6.815 1.00 4.45 N ATOM 249 CZ ARG A 15 9.092 -23.114 -8.068 1.00 34.41 C ATOM 250 NH1 ARG A 15 8.445 -21.984 -8.318 1.00 61.33 N ATOM 251 NH2 ARG A 15 9.492 -23.881 -9.074 1.00 62.20 N ATOM 0 H ARG A 15 6.890 -24.227 -2.743 1.00 1.22 H new ATOM 0 HA ARG A 15 5.055 -23.772 -4.752 1.00 74.22 H new ATOM 0 HB2 ARG A 15 7.873 -24.853 -4.664 1.00 23.53 H new ATOM 0 HB3 ARG A 15 7.021 -24.775 -6.194 1.00 23.53 H new ATOM 0 HG2 ARG A 15 6.859 -22.406 -6.123 1.00 55.24 H new ATOM 0 HG3 ARG A 15 7.218 -22.341 -4.409 1.00 55.24 H new ATOM 0 HD2 ARG A 15 9.146 -21.641 -5.832 1.00 4.23 H new ATOM 0 HD3 ARG A 15 9.525 -22.996 -4.787 1.00 4.23 H new ATOM 0 HE ARG A 15 9.837 -24.354 -6.657 1.00 4.45 H new ATOM 0 HH11 ARG A 15 8.135 -21.393 -7.547 1.00 61.33 H new ATOM 0 HH12 ARG A 15 8.257 -21.706 -9.281 1.00 61.33 H new ATOM 0 HH21 ARG A 15 9.989 -24.752 -8.885 1.00 62.20 H new ATOM 0 HH22 ARG A 15 9.303 -23.600 -10.036 1.00 62.20 H new ATOM 265 N ILE A 16 5.480 -26.945 -4.125 1.00 15.11 N ATOM 266 CA ILE A 16 4.978 -28.283 -4.412 1.00 14.02 C ATOM 267 C ILE A 16 3.471 -28.364 -4.191 1.00 30.14 C ATOM 268 O ILE A 16 2.763 -29.058 -4.920 1.00 53.35 O ATOM 269 CB ILE A 16 5.671 -29.344 -3.537 1.00 44.02 C ATOM 270 CG1 ILE A 16 5.146 -30.740 -3.878 1.00 65.22 C ATOM 271 CG2 ILE A 16 5.457 -29.037 -2.063 1.00 22.35 C ATOM 272 CD1 ILE A 16 5.354 -31.127 -5.326 1.00 2.22 C ATOM 0 H ILE A 16 6.084 -26.888 -3.305 1.00 15.11 H new ATOM 0 HA ILE A 16 5.201 -28.485 -5.460 1.00 14.02 H new ATOM 0 HB ILE A 16 6.741 -29.319 -3.741 1.00 44.02 H new ATOM 0 HG12 ILE A 16 5.642 -31.472 -3.240 1.00 65.22 H new ATOM 0 HG13 ILE A 16 4.082 -30.785 -3.648 1.00 65.22 H new ATOM 0 HG21 ILE A 16 5.953 -29.796 -1.458 1.00 22.35 H new ATOM 0 HG22 ILE A 16 5.875 -28.057 -1.831 1.00 22.35 H new ATOM 0 HG23 ILE A 16 4.390 -29.037 -1.843 1.00 22.35 H new ATOM 0 HD11 ILE A 16 4.958 -32.128 -5.496 1.00 2.22 H new ATOM 0 HD12 ILE A 16 4.835 -30.417 -5.970 1.00 2.22 H new ATOM 0 HD13 ILE A 16 6.419 -31.114 -5.557 1.00 2.22 H new ATOM 284 N ARG A 17 2.988 -27.649 -3.180 1.00 35.21 N ATOM 285 CA ARG A 17 1.565 -27.640 -2.863 1.00 14.42 C ATOM 286 C ARG A 17 0.841 -26.548 -3.645 1.00 55.22 C ATOM 287 O ARG A 17 -0.071 -26.828 -4.423 1.00 53.24 O ATOM 288 CB ARG A 17 1.356 -27.430 -1.362 1.00 2.32 C ATOM 289 CG ARG A 17 2.252 -28.299 -0.495 1.00 63.32 C ATOM 290 CD ARG A 17 2.091 -29.774 -0.830 1.00 54.24 C ATOM 291 NE ARG A 17 0.689 -30.185 -0.827 1.00 23.43 N ATOM 292 CZ ARG A 17 0.007 -30.461 0.279 1.00 2.44 C ATOM 293 NH1 ARG A 17 0.594 -30.368 1.465 1.00 62.04 N ATOM 294 NH2 ARG A 17 -1.265 -30.829 0.201 1.00 13.22 N ATOM 0 H ARG A 17 3.561 -27.069 -2.567 1.00 35.21 H new ATOM 0 HA ARG A 17 1.149 -28.606 -3.149 1.00 14.42 H new ATOM 0 HB2 ARG A 17 1.537 -26.382 -1.122 1.00 2.32 H new ATOM 0 HB3 ARG A 17 0.315 -27.638 -1.116 1.00 2.32 H new ATOM 0 HG2 ARG A 17 3.292 -28.004 -0.635 1.00 63.32 H new ATOM 0 HG3 ARG A 17 2.013 -28.135 0.556 1.00 63.32 H new ATOM 0 HD2 ARG A 17 2.525 -29.973 -1.810 1.00 54.24 H new ATOM 0 HD3 ARG A 17 2.646 -30.373 -0.108 1.00 54.24 H new ATOM 0 HE ARG A 17 0.208 -30.264 -1.723 1.00 23.43 H new ATOM 0 HH11 ARG A 17 1.572 -30.084 1.529 1.00 62.04 H new ATOM 0 HH12 ARG A 17 0.068 -30.581 2.313 1.00 62.04 H new ATOM 0 HH21 ARG A 17 -1.720 -30.900 -0.709 1.00 13.22 H new ATOM 0 HH22 ARG A 17 -1.788 -31.041 1.051 1.00 13.22 H new ATOM 308 N VAL A 18 1.253 -25.302 -3.433 1.00 32.04 N ATOM 309 CA VAL A 18 0.644 -24.168 -4.118 1.00 4.02 C ATOM 310 C VAL A 18 1.704 -23.184 -4.599 1.00 45.33 C ATOM 311 O VAL A 18 2.761 -23.041 -3.983 1.00 52.23 O ATOM 312 CB VAL A 18 -0.350 -23.428 -3.204 1.00 13.20 C ATOM 313 CG1 VAL A 18 0.382 -22.750 -2.056 1.00 12.02 C ATOM 314 CG2 VAL A 18 -1.157 -22.416 -4.004 1.00 61.30 C ATOM 0 H VAL A 18 2.006 -25.052 -2.792 1.00 32.04 H new ATOM 0 HA VAL A 18 0.107 -24.569 -4.978 1.00 4.02 H new ATOM 0 HB VAL A 18 -1.041 -24.158 -2.782 1.00 13.20 H new ATOM 0 HG11 VAL A 18 -0.337 -22.232 -1.421 1.00 12.02 H new ATOM 0 HG12 VAL A 18 0.911 -23.500 -1.468 1.00 12.02 H new ATOM 0 HG13 VAL A 18 1.097 -22.031 -2.455 1.00 12.02 H new ATOM 0 HG21 VAL A 18 -1.854 -21.902 -3.342 1.00 61.30 H new ATOM 0 HG22 VAL A 18 -0.483 -21.689 -4.456 1.00 61.30 H new ATOM 0 HG23 VAL A 18 -1.713 -22.931 -4.787 1.00 61.30 H new ATOM 324 N LYS A 19 1.416 -22.506 -5.705 1.00 14.31 N ATOM 325 CA LYS A 19 2.342 -21.532 -6.270 1.00 64.21 C ATOM 326 C LYS A 19 1.907 -20.109 -5.936 1.00 41.01 C ATOM 327 O LYS A 19 0.799 -19.886 -5.447 1.00 73.42 O ATOM 328 CB LYS A 19 2.434 -21.706 -7.788 1.00 31.02 C ATOM 329 CG LYS A 19 1.082 -21.744 -8.478 1.00 75.13 C ATOM 330 CD LYS A 19 0.590 -23.170 -8.663 1.00 13.11 C ATOM 331 CE LYS A 19 -0.888 -23.297 -8.328 1.00 35.32 C ATOM 332 NZ LYS A 19 -1.454 -24.593 -8.796 1.00 24.22 N ATOM 0 H LYS A 19 0.547 -22.614 -6.228 1.00 14.31 H new ATOM 0 HA LYS A 19 3.324 -21.705 -5.830 1.00 64.21 H new ATOM 0 HB2 LYS A 19 3.022 -20.888 -8.204 1.00 31.02 H new ATOM 0 HB3 LYS A 19 2.971 -22.629 -8.008 1.00 31.02 H new ATOM 0 HG2 LYS A 19 0.357 -21.181 -7.890 1.00 75.13 H new ATOM 0 HG3 LYS A 19 1.154 -21.254 -9.449 1.00 75.13 H new ATOM 0 HD2 LYS A 19 0.759 -23.484 -9.693 1.00 13.11 H new ATOM 0 HD3 LYS A 19 1.167 -23.841 -8.027 1.00 13.11 H new ATOM 0 HE2 LYS A 19 -1.025 -23.209 -7.250 1.00 35.32 H new ATOM 0 HE3 LYS A 19 -1.436 -22.474 -8.787 1.00 35.32 H new ATOM 0 HZ1 LYS A 19 -2.463 -24.641 -8.549 1.00 24.22 H new ATOM 0 HZ2 LYS A 19 -1.347 -24.666 -9.828 1.00 24.22 H new ATOM 0 HZ3 LYS A 19 -0.948 -25.378 -8.339 1.00 24.22 H new ATOM 346 N LEU A 20 2.785 -19.149 -6.204 1.00 51.41 N ATOM 347 CA LEU A 20 2.490 -17.746 -5.933 1.00 45.34 C ATOM 348 C LEU A 20 1.407 -17.225 -6.873 1.00 23.51 C ATOM 349 O LEU A 20 1.234 -17.712 -7.990 1.00 71.53 O ATOM 350 CB LEU A 20 3.757 -16.901 -6.080 1.00 3.12 C ATOM 351 CG LEU A 20 4.925 -17.278 -5.167 1.00 71.45 C ATOM 352 CD1 LEU A 20 6.244 -16.828 -5.775 1.00 63.12 C ATOM 353 CD2 LEU A 20 4.738 -16.673 -3.784 1.00 44.51 C ATOM 0 H LEU A 20 3.706 -19.316 -6.608 1.00 51.41 H new ATOM 0 HA LEU A 20 2.125 -17.669 -4.909 1.00 45.34 H new ATOM 0 HB2 LEU A 20 4.095 -16.966 -7.114 1.00 3.12 H new ATOM 0 HB3 LEU A 20 3.498 -15.859 -5.894 1.00 3.12 H new ATOM 0 HG LEU A 20 4.947 -18.363 -5.066 1.00 71.45 H new ATOM 0 HD11 LEU A 20 7.064 -17.105 -5.112 1.00 63.12 H new ATOM 0 HD12 LEU A 20 6.382 -17.310 -6.743 1.00 63.12 H new ATOM 0 HD13 LEU A 20 6.233 -15.746 -5.907 1.00 63.12 H new ATOM 0 HD21 LEU A 20 5.578 -16.952 -3.148 1.00 44.51 H new ATOM 0 HD22 LEU A 20 4.689 -15.587 -3.865 1.00 44.51 H new ATOM 0 HD23 LEU A 20 3.812 -17.046 -3.346 1.00 44.51 H new ATOM 365 N PRO A 21 0.661 -16.211 -6.412 1.00 3.50 N ATOM 366 CA PRO A 21 -0.416 -15.600 -7.196 1.00 51.05 C ATOM 367 C PRO A 21 0.112 -14.802 -8.384 1.00 11.34 C ATOM 368 O PRO A 21 1.297 -14.865 -8.710 1.00 5.12 O ATOM 369 CB PRO A 21 -1.104 -14.672 -6.192 1.00 74.41 C ATOM 370 CG PRO A 21 -0.051 -14.354 -5.188 1.00 15.44 C ATOM 371 CD PRO A 21 0.812 -15.580 -5.090 1.00 24.43 C ATOM 0 HA PRO A 21 -1.079 -16.349 -7.629 1.00 51.05 H new ATOM 0 HB2 PRO A 21 -1.474 -13.769 -6.677 1.00 74.41 H new ATOM 0 HB3 PRO A 21 -1.961 -15.158 -5.726 1.00 74.41 H new ATOM 0 HG2 PRO A 21 0.535 -13.488 -5.498 1.00 15.44 H new ATOM 0 HG3 PRO A 21 -0.494 -14.110 -4.222 1.00 15.44 H new ATOM 0 HD2 PRO A 21 1.851 -15.324 -4.883 1.00 24.43 H new ATOM 0 HD3 PRO A 21 0.481 -16.241 -4.289 1.00 24.43 H new ATOM 379 N LYS A 22 -0.775 -14.050 -9.027 1.00 31.13 N ATOM 380 CA LYS A 22 -0.399 -13.237 -10.177 1.00 61.22 C ATOM 381 C LYS A 22 -0.085 -11.806 -9.753 1.00 22.11 C ATOM 382 O LYS A 22 0.796 -11.160 -10.320 1.00 42.32 O ATOM 383 CB LYS A 22 -1.522 -13.237 -11.217 1.00 21.32 C ATOM 384 CG LYS A 22 -2.694 -12.346 -10.846 1.00 13.31 C ATOM 385 CD LYS A 22 -3.728 -12.293 -11.958 1.00 15.11 C ATOM 386 CE LYS A 22 -3.134 -11.746 -13.247 1.00 2.25 C ATOM 387 NZ LYS A 22 -3.898 -10.574 -13.756 1.00 42.50 N ATOM 0 H LYS A 22 -1.760 -13.987 -8.771 1.00 31.13 H new ATOM 0 HA LYS A 22 0.498 -13.671 -10.619 1.00 61.22 H new ATOM 0 HB2 LYS A 22 -1.118 -12.911 -12.176 1.00 21.32 H new ATOM 0 HB3 LYS A 22 -1.881 -14.257 -11.352 1.00 21.32 H new ATOM 0 HG2 LYS A 22 -3.159 -12.717 -9.933 1.00 13.31 H new ATOM 0 HG3 LYS A 22 -2.334 -11.339 -10.634 1.00 13.31 H new ATOM 0 HD2 LYS A 22 -4.125 -13.293 -12.135 1.00 15.11 H new ATOM 0 HD3 LYS A 22 -4.565 -11.668 -11.648 1.00 15.11 H new ATOM 0 HE2 LYS A 22 -2.097 -11.457 -13.075 1.00 2.25 H new ATOM 0 HE3 LYS A 22 -3.125 -12.530 -14.004 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 -3.462 -10.231 -14.635 1.00 42.50 H new ATOM 0 HZ2 LYS A 22 -4.881 -10.856 -13.944 1.00 42.50 H new ATOM 0 HZ3 LYS A 22 -3.886 -9.816 -13.044 1.00 42.50 H new ATOM 401 N ASP A 23 -0.809 -11.318 -8.752 1.00 73.21 N ATOM 402 CA ASP A 23 -0.606 -9.964 -8.250 1.00 62.20 C ATOM 403 C ASP A 23 0.501 -9.934 -7.201 1.00 31.45 C ATOM 404 O ASP A 23 0.321 -9.394 -6.109 1.00 45.11 O ATOM 405 CB ASP A 23 -1.905 -9.417 -7.655 1.00 65.44 C ATOM 406 CG ASP A 23 -3.055 -9.458 -8.642 1.00 32.23 C ATOM 407 OD1 ASP A 23 -3.127 -8.560 -9.506 1.00 13.01 O ATOM 408 OD2 ASP A 23 -3.884 -10.388 -8.549 1.00 30.02 O ATOM 0 H ASP A 23 -1.542 -11.840 -8.272 1.00 73.21 H new ATOM 0 HA ASP A 23 -0.306 -9.334 -9.087 1.00 62.20 H new ATOM 0 HB2 ASP A 23 -2.168 -9.996 -6.770 1.00 65.44 H new ATOM 0 HB3 ASP A 23 -1.747 -8.389 -7.328 1.00 65.44 H new ATOM 413 N VAL A 24 1.646 -10.520 -7.538 1.00 54.10 N ATOM 414 CA VAL A 24 2.782 -10.561 -6.625 1.00 53.42 C ATOM 415 C VAL A 24 4.101 -10.510 -7.387 1.00 61.44 C ATOM 416 O VAL A 24 4.258 -11.161 -8.421 1.00 10.22 O ATOM 417 CB VAL A 24 2.754 -11.828 -5.751 1.00 64.51 C ATOM 418 CG1 VAL A 24 3.070 -13.060 -6.586 1.00 44.13 C ATOM 419 CG2 VAL A 24 3.729 -11.696 -4.591 1.00 23.41 C ATOM 0 H VAL A 24 1.811 -10.973 -8.437 1.00 54.10 H new ATOM 0 HA VAL A 24 2.704 -9.684 -5.982 1.00 53.42 H new ATOM 0 HB VAL A 24 1.751 -11.944 -5.341 1.00 64.51 H new ATOM 0 HG11 VAL A 24 3.046 -13.946 -5.951 1.00 44.13 H new ATOM 0 HG12 VAL A 24 2.329 -13.162 -7.379 1.00 44.13 H new ATOM 0 HG13 VAL A 24 4.062 -12.956 -7.026 1.00 44.13 H new ATOM 0 HG21 VAL A 24 3.696 -12.600 -3.983 1.00 23.41 H new ATOM 0 HG22 VAL A 24 4.738 -11.555 -4.978 1.00 23.41 H new ATOM 0 HG23 VAL A 24 3.452 -10.838 -3.979 1.00 23.41 H new ATOM 429 N ASP A 25 5.047 -9.734 -6.870 1.00 63.53 N ATOM 430 CA ASP A 25 6.355 -9.600 -7.501 1.00 63.12 C ATOM 431 C ASP A 25 7.414 -10.382 -6.729 1.00 52.32 C ATOM 432 O ASP A 25 7.607 -10.168 -5.532 1.00 70.42 O ATOM 433 CB ASP A 25 6.754 -8.126 -7.588 1.00 62.22 C ATOM 434 CG ASP A 25 7.811 -7.874 -8.646 1.00 12.23 C ATOM 435 OD1 ASP A 25 7.675 -8.417 -9.761 1.00 75.55 O ATOM 436 OD2 ASP A 25 8.774 -7.133 -8.357 1.00 64.34 O ATOM 0 H ASP A 25 4.933 -9.188 -6.016 1.00 63.53 H new ATOM 0 HA ASP A 25 6.289 -10.011 -8.508 1.00 63.12 H new ATOM 0 HB2 ASP A 25 5.871 -7.526 -7.810 1.00 62.22 H new ATOM 0 HB3 ASP A 25 7.128 -7.796 -6.619 1.00 62.22 H new ATOM 441 N ARG A 26 8.096 -11.288 -7.422 1.00 54.22 N ATOM 442 CA ARG A 26 9.133 -12.103 -6.801 1.00 53.13 C ATOM 443 C ARG A 26 10.379 -11.271 -6.515 1.00 44.11 C ATOM 444 O ARG A 26 11.184 -11.615 -5.649 1.00 22.22 O ATOM 445 CB ARG A 26 9.491 -13.285 -7.704 1.00 43.42 C ATOM 446 CG ARG A 26 8.575 -14.484 -7.530 1.00 35.40 C ATOM 447 CD ARG A 26 7.136 -14.142 -7.885 1.00 31.42 C ATOM 448 NE ARG A 26 7.010 -13.665 -9.259 1.00 51.31 N ATOM 449 CZ ARG A 26 5.846 -13.512 -9.880 1.00 73.44 C ATOM 450 NH1 ARG A 26 4.713 -13.798 -9.253 1.00 23.41 N ATOM 451 NH2 ARG A 26 5.813 -13.073 -11.132 1.00 13.31 N ATOM 0 H ARG A 26 7.949 -11.476 -8.414 1.00 54.22 H new ATOM 0 HA ARG A 26 8.745 -12.482 -5.855 1.00 53.13 H new ATOM 0 HB2 ARG A 26 9.457 -12.960 -8.744 1.00 43.42 H new ATOM 0 HB3 ARG A 26 10.517 -13.590 -7.499 1.00 43.42 H new ATOM 0 HG2 ARG A 26 8.922 -15.303 -8.161 1.00 35.40 H new ATOM 0 HG3 ARG A 26 8.623 -14.834 -6.499 1.00 35.40 H new ATOM 0 HD2 ARG A 26 6.510 -15.024 -7.748 1.00 31.42 H new ATOM 0 HD3 ARG A 26 6.765 -13.379 -7.201 1.00 31.42 H new ATOM 0 HE ARG A 26 7.863 -13.437 -9.770 1.00 51.31 H new ATOM 0 HH11 ARG A 26 4.734 -14.137 -8.291 1.00 23.41 H new ATOM 0 HH12 ARG A 26 3.821 -13.679 -9.733 1.00 23.41 H new ATOM 0 HH21 ARG A 26 6.682 -12.853 -11.618 1.00 13.31 H new ATOM 0 HH22 ARG A 26 4.918 -12.956 -11.608 1.00 13.31 H new ATOM 465 N THR A 27 10.534 -10.174 -7.250 1.00 11.54 N ATOM 466 CA THR A 27 11.683 -9.293 -7.076 1.00 75.45 C ATOM 467 C THR A 27 11.736 -8.731 -5.661 1.00 12.13 C ATOM 468 O THR A 27 12.760 -8.823 -4.984 1.00 62.12 O ATOM 469 CB THR A 27 11.651 -8.125 -8.080 1.00 24.11 C ATOM 470 OG1 THR A 27 11.012 -8.538 -9.293 1.00 22.11 O ATOM 471 CG2 THR A 27 13.059 -7.635 -8.384 1.00 21.21 C ATOM 0 H THR A 27 9.878 -9.874 -7.972 1.00 11.54 H new ATOM 0 HA THR A 27 12.574 -9.895 -7.258 1.00 75.45 H new ATOM 0 HB THR A 27 11.086 -7.307 -7.634 1.00 24.11 H new ATOM 0 HG1 THR A 27 10.994 -7.789 -9.925 1.00 22.11 H new ATOM 0 HG21 THR A 27 13.012 -6.810 -9.095 1.00 21.21 H new ATOM 0 HG22 THR A 27 13.532 -7.294 -7.463 1.00 21.21 H new ATOM 0 HG23 THR A 27 13.643 -8.450 -8.812 1.00 21.21 H new ATOM 479 N ARG A 28 10.626 -8.149 -5.218 1.00 40.10 N ATOM 480 CA ARG A 28 10.547 -7.571 -3.882 1.00 2.01 C ATOM 481 C ARG A 28 9.370 -8.155 -3.106 1.00 4.14 C ATOM 482 O ARG A 28 8.422 -7.445 -2.767 1.00 42.04 O ATOM 483 CB ARG A 28 10.410 -6.050 -3.968 1.00 45.33 C ATOM 484 CG ARG A 28 11.535 -5.380 -4.741 1.00 72.14 C ATOM 485 CD ARG A 28 12.606 -4.837 -3.809 1.00 21.54 C ATOM 486 NE ARG A 28 13.199 -3.603 -4.316 1.00 0.25 N ATOM 487 CZ ARG A 28 13.860 -2.739 -3.554 1.00 5.51 C ATOM 488 NH1 ARG A 28 14.013 -2.973 -2.258 1.00 21.20 N ATOM 489 NH2 ARG A 28 14.371 -1.637 -4.089 1.00 4.23 N ATOM 0 H ARG A 28 9.769 -8.065 -5.765 1.00 40.10 H new ATOM 0 HA ARG A 28 11.467 -7.817 -3.352 1.00 2.01 H new ATOM 0 HB2 ARG A 28 9.459 -5.805 -4.442 1.00 45.33 H new ATOM 0 HB3 ARG A 28 10.379 -5.639 -2.959 1.00 45.33 H new ATOM 0 HG2 ARG A 28 11.981 -6.097 -5.431 1.00 72.14 H new ATOM 0 HG3 ARG A 28 11.130 -4.567 -5.344 1.00 72.14 H new ATOM 0 HD2 ARG A 28 12.172 -4.653 -2.826 1.00 21.54 H new ATOM 0 HD3 ARG A 28 13.386 -5.587 -3.678 1.00 21.54 H new ATOM 0 HE ARG A 28 13.100 -3.393 -5.309 1.00 0.25 H new ATOM 0 HH11 ARG A 28 13.622 -3.819 -1.843 1.00 21.20 H new ATOM 0 HH12 ARG A 28 14.521 -2.307 -1.676 1.00 21.20 H new ATOM 0 HH21 ARG A 28 14.256 -1.453 -5.086 1.00 4.23 H new ATOM 0 HH22 ARG A 28 14.879 -0.974 -3.503 1.00 4.23 H new ATOM 503 N LEU A 29 9.438 -9.452 -2.827 1.00 13.13 N ATOM 504 CA LEU A 29 8.378 -10.132 -2.090 1.00 72.25 C ATOM 505 C LEU A 29 8.350 -9.680 -0.634 1.00 21.41 C ATOM 506 O LEU A 29 7.375 -9.914 0.079 1.00 10.14 O ATOM 507 CB LEU A 29 8.572 -11.648 -2.163 1.00 14.14 C ATOM 508 CG LEU A 29 7.297 -12.491 -2.108 1.00 50.25 C ATOM 509 CD1 LEU A 29 6.656 -12.579 -3.485 1.00 2.51 C ATOM 510 CD2 LEU A 29 7.600 -13.881 -1.569 1.00 74.35 C ATOM 0 H LEU A 29 10.215 -10.054 -3.100 1.00 13.13 H new ATOM 0 HA LEU A 29 7.424 -9.871 -2.549 1.00 72.25 H new ATOM 0 HB2 LEU A 29 9.099 -11.883 -3.088 1.00 14.14 H new ATOM 0 HB3 LEU A 29 9.220 -11.951 -1.341 1.00 14.14 H new ATOM 0 HG LEU A 29 6.592 -12.007 -1.432 1.00 50.25 H new ATOM 0 HD11 LEU A 29 5.750 -13.183 -3.427 1.00 2.51 H new ATOM 0 HD12 LEU A 29 6.403 -11.578 -3.833 1.00 2.51 H new ATOM 0 HD13 LEU A 29 7.355 -13.040 -4.183 1.00 2.51 H new ATOM 0 HD21 LEU A 29 6.681 -14.467 -1.537 1.00 74.35 H new ATOM 0 HD22 LEU A 29 8.322 -14.374 -2.220 1.00 74.35 H new ATOM 0 HD23 LEU A 29 8.014 -13.799 -0.564 1.00 74.35 H new ATOM 522 N GLU A 30 9.426 -9.031 -0.200 1.00 51.24 N ATOM 523 CA GLU A 30 9.523 -8.545 1.171 1.00 22.10 C ATOM 524 C GLU A 30 8.389 -7.575 1.486 1.00 13.53 C ATOM 525 O GLU A 30 7.813 -7.608 2.574 1.00 71.31 O ATOM 526 CB GLU A 30 10.873 -7.861 1.399 1.00 53.33 C ATOM 527 CG GLU A 30 10.979 -6.493 0.745 1.00 3.05 C ATOM 528 CD GLU A 30 12.416 -6.045 0.562 1.00 42.42 C ATOM 529 OE1 GLU A 30 13.275 -6.464 1.366 1.00 41.31 O ATOM 530 OE2 GLU A 30 12.682 -5.275 -0.385 1.00 72.20 O ATOM 0 H GLU A 30 10.242 -8.830 -0.778 1.00 51.24 H new ATOM 0 HA GLU A 30 9.441 -9.402 1.840 1.00 22.10 H new ATOM 0 HB2 GLU A 30 11.042 -7.756 2.471 1.00 53.33 H new ATOM 0 HB3 GLU A 30 11.666 -8.502 1.013 1.00 53.33 H new ATOM 0 HG2 GLU A 30 10.484 -6.519 -0.226 1.00 3.05 H new ATOM 0 HG3 GLU A 30 10.449 -5.761 1.354 1.00 3.05 H new ATOM 537 N ARG A 31 8.074 -6.710 0.527 1.00 33.21 N ATOM 538 CA ARG A 31 7.010 -5.729 0.702 1.00 11.23 C ATOM 539 C ARG A 31 5.644 -6.408 0.739 1.00 61.14 C ATOM 540 O ARG A 31 4.640 -5.789 1.094 1.00 25.55 O ATOM 541 CB ARG A 31 7.048 -4.697 -0.426 1.00 42.33 C ATOM 542 CG ARG A 31 7.912 -3.485 -0.115 1.00 35.22 C ATOM 543 CD ARG A 31 7.117 -2.404 0.600 1.00 13.30 C ATOM 544 NE ARG A 31 7.130 -2.582 2.049 1.00 32.44 N ATOM 545 CZ ARG A 31 8.209 -2.400 2.803 1.00 54.14 C ATOM 546 NH1 ARG A 31 9.356 -2.035 2.247 1.00 55.15 N ATOM 547 NH2 ARG A 31 8.141 -2.582 4.115 1.00 24.03 N ATOM 0 H ARG A 31 8.541 -6.669 -0.379 1.00 33.21 H new ATOM 0 HA ARG A 31 7.170 -5.223 1.654 1.00 11.23 H new ATOM 0 HB2 ARG A 31 7.421 -5.175 -1.332 1.00 42.33 H new ATOM 0 HB3 ARG A 31 6.032 -4.364 -0.636 1.00 42.33 H new ATOM 0 HG2 ARG A 31 8.756 -3.788 0.505 1.00 35.22 H new ATOM 0 HG3 ARG A 31 8.324 -3.083 -1.041 1.00 35.22 H new ATOM 0 HD2 ARG A 31 7.530 -1.426 0.351 1.00 13.30 H new ATOM 0 HD3 ARG A 31 6.087 -2.415 0.243 1.00 13.30 H new ATOM 0 HE ARG A 31 6.263 -2.861 2.508 1.00 32.44 H new ATOM 0 HH11 ARG A 31 9.412 -1.893 1.238 1.00 55.15 H new ATOM 0 HH12 ARG A 31 10.183 -1.896 2.828 1.00 55.15 H new ATOM 0 HH21 ARG A 31 7.260 -2.862 4.546 1.00 24.03 H new ATOM 0 HH22 ARG A 31 8.970 -2.442 4.693 1.00 24.03 H new ATOM 561 N HIS A 32 5.613 -7.684 0.368 1.00 65.24 N ATOM 562 CA HIS A 32 4.371 -8.448 0.358 1.00 52.02 C ATOM 563 C HIS A 32 4.201 -9.226 1.659 1.00 10.13 C ATOM 564 O HIS A 32 3.166 -9.852 1.890 1.00 14.10 O ATOM 565 CB HIS A 32 4.348 -9.409 -0.831 1.00 55.01 C ATOM 566 CG HIS A 32 3.927 -8.763 -2.115 1.00 43.03 C ATOM 567 ND1 HIS A 32 2.613 -8.473 -2.417 1.00 65.34 N ATOM 568 CD2 HIS A 32 4.656 -8.348 -3.178 1.00 23.52 C ATOM 569 CE1 HIS A 32 2.552 -7.910 -3.611 1.00 22.31 C ATOM 570 NE2 HIS A 32 3.779 -7.823 -4.094 1.00 14.54 N ATOM 0 H HIS A 32 6.434 -8.211 0.070 1.00 65.24 H new ATOM 0 HA HIS A 32 3.543 -7.746 0.264 1.00 52.02 H new ATOM 0 HB2 HIS A 32 5.341 -9.839 -0.959 1.00 55.01 H new ATOM 0 HB3 HIS A 32 3.670 -10.233 -0.609 1.00 55.01 H new ATOM 0 HD1 HIS A 32 1.813 -8.663 -1.813 1.00 65.34 H new ATOM 0 HD2 HIS A 32 5.728 -8.417 -3.285 1.00 23.52 H new ATOM 0 HE1 HIS A 32 1.652 -7.578 -4.108 1.00 22.31 H new ATOM 578 N LEU A 33 5.224 -9.183 2.506 1.00 15.12 N ATOM 579 CA LEU A 33 5.188 -9.884 3.785 1.00 60.32 C ATOM 580 C LEU A 33 5.180 -8.897 4.947 1.00 20.05 C ATOM 581 O LEU A 33 6.014 -7.994 5.013 1.00 15.45 O ATOM 582 CB LEU A 33 6.389 -10.824 3.907 1.00 51.01 C ATOM 583 CG LEU A 33 6.137 -12.144 4.636 1.00 73.20 C ATOM 584 CD1 LEU A 33 5.452 -13.141 3.714 1.00 41.13 C ATOM 585 CD2 LEU A 33 7.442 -12.717 5.169 1.00 71.13 C ATOM 0 H LEU A 33 6.088 -8.670 2.330 1.00 15.12 H new ATOM 0 HA LEU A 33 4.270 -10.470 3.825 1.00 60.32 H new ATOM 0 HB2 LEU A 33 6.752 -11.049 2.904 1.00 51.01 H new ATOM 0 HB3 LEU A 33 7.189 -10.294 4.424 1.00 51.01 H new ATOM 0 HG LEU A 33 5.477 -11.949 5.481 1.00 73.20 H new ATOM 0 HD11 LEU A 33 5.281 -14.074 4.250 1.00 41.13 H new ATOM 0 HD12 LEU A 33 4.497 -12.733 3.382 1.00 41.13 H new ATOM 0 HD13 LEU A 33 6.086 -13.331 2.848 1.00 41.13 H new ATOM 0 HD21 LEU A 33 7.243 -13.656 5.685 1.00 71.13 H new ATOM 0 HD22 LEU A 33 8.126 -12.896 4.340 1.00 71.13 H new ATOM 0 HD23 LEU A 33 7.893 -12.009 5.865 1.00 71.13 H new ATOM 597 N SER A 34 4.234 -9.077 5.864 1.00 61.33 N ATOM 598 CA SER A 34 4.117 -8.201 7.024 1.00 74.53 C ATOM 599 C SER A 34 5.461 -8.051 7.729 1.00 31.23 C ATOM 600 O SER A 34 6.387 -8.837 7.529 1.00 3.01 O ATOM 601 CB SER A 34 3.074 -8.750 8.000 1.00 51.23 C ATOM 602 OG SER A 34 3.692 -9.449 9.066 1.00 12.45 O ATOM 0 H SER A 34 3.538 -9.821 5.826 1.00 61.33 H new ATOM 0 HA SER A 34 3.798 -7.219 6.676 1.00 74.53 H new ATOM 0 HB2 SER A 34 2.476 -7.930 8.397 1.00 51.23 H new ATOM 0 HB3 SER A 34 2.392 -9.416 7.472 1.00 51.23 H new ATOM 0 HG SER A 34 3.005 -9.789 9.676 1.00 12.45 H new ATOM 608 N PRO A 35 5.571 -7.017 8.576 1.00 3.20 N ATOM 609 CA PRO A 35 6.797 -6.738 9.330 1.00 64.14 C ATOM 610 C PRO A 35 7.062 -7.779 10.412 1.00 12.11 C ATOM 611 O PRO A 35 8.192 -8.233 10.586 1.00 61.24 O ATOM 612 CB PRO A 35 6.524 -5.370 9.959 1.00 53.21 C ATOM 613 CG PRO A 35 5.039 -5.285 10.050 1.00 2.01 C ATOM 614 CD PRO A 35 4.508 -6.040 8.863 1.00 15.03 C ATOM 0 HA PRO A 35 7.681 -6.760 8.693 1.00 64.14 H new ATOM 0 HB2 PRO A 35 6.986 -5.287 10.943 1.00 53.21 H new ATOM 0 HB3 PRO A 35 6.930 -4.565 9.347 1.00 53.21 H new ATOM 0 HG2 PRO A 35 4.680 -5.721 10.982 1.00 2.01 H new ATOM 0 HG3 PRO A 35 4.706 -4.247 10.034 1.00 2.01 H new ATOM 0 HD2 PRO A 35 3.562 -6.531 9.090 1.00 15.03 H new ATOM 0 HD3 PRO A 35 4.329 -5.380 8.014 1.00 15.03 H new ATOM 622 N GLU A 36 6.012 -8.152 11.137 1.00 73.31 N ATOM 623 CA GLU A 36 6.132 -9.140 12.203 1.00 44.11 C ATOM 624 C GLU A 36 6.519 -10.504 11.639 1.00 20.32 C ATOM 625 O GLU A 36 7.260 -11.259 12.268 1.00 31.10 O ATOM 626 CB GLU A 36 4.818 -9.250 12.978 1.00 55.03 C ATOM 627 CG GLU A 36 4.662 -8.199 14.064 1.00 35.32 C ATOM 628 CD GLU A 36 3.467 -8.460 14.961 1.00 72.23 C ATOM 629 OE1 GLU A 36 3.490 -9.463 15.705 1.00 42.42 O ATOM 630 OE2 GLU A 36 2.508 -7.661 14.918 1.00 40.21 O ATOM 0 H GLU A 36 5.069 -7.785 11.006 1.00 73.31 H new ATOM 0 HA GLU A 36 6.918 -8.810 12.882 1.00 44.11 H new ATOM 0 HB2 GLU A 36 3.986 -9.165 12.279 1.00 55.03 H new ATOM 0 HB3 GLU A 36 4.754 -10.240 13.430 1.00 55.03 H new ATOM 0 HG2 GLU A 36 5.567 -8.171 14.670 1.00 35.32 H new ATOM 0 HG3 GLU A 36 4.557 -7.217 13.602 1.00 35.32 H new ATOM 637 N GLU A 37 6.011 -10.812 10.450 1.00 32.51 N ATOM 638 CA GLU A 37 6.302 -12.086 9.803 1.00 72.24 C ATOM 639 C GLU A 37 7.733 -12.113 9.274 1.00 71.14 C ATOM 640 O GLU A 37 8.424 -13.127 9.373 1.00 5.11 O ATOM 641 CB GLU A 37 5.318 -12.338 8.658 1.00 64.12 C ATOM 642 CG GLU A 37 4.290 -13.414 8.964 1.00 10.24 C ATOM 643 CD GLU A 37 3.396 -13.050 10.134 1.00 54.55 C ATOM 644 OE1 GLU A 37 3.812 -13.267 11.290 1.00 4.23 O ATOM 645 OE2 GLU A 37 2.278 -12.547 9.891 1.00 44.32 O ATOM 0 H GLU A 37 5.397 -10.198 9.916 1.00 32.51 H new ATOM 0 HA GLU A 37 6.193 -12.876 10.547 1.00 72.24 H new ATOM 0 HB2 GLU A 37 4.800 -11.408 8.425 1.00 64.12 H new ATOM 0 HB3 GLU A 37 5.876 -12.624 7.767 1.00 64.12 H new ATOM 0 HG2 GLU A 37 3.675 -13.585 8.081 1.00 10.24 H new ATOM 0 HG3 GLU A 37 4.803 -14.351 9.181 1.00 10.24 H new ATOM 652 N PHE A 38 8.170 -10.992 8.710 1.00 4.13 N ATOM 653 CA PHE A 38 9.518 -10.886 8.164 1.00 62.33 C ATOM 654 C PHE A 38 10.565 -11.081 9.257 1.00 41.44 C ATOM 655 O PHE A 38 11.555 -11.786 9.063 1.00 40.41 O ATOM 656 CB PHE A 38 9.713 -9.526 7.491 1.00 44.02 C ATOM 657 CG PHE A 38 10.494 -9.597 6.210 1.00 60.44 C ATOM 658 CD1 PHE A 38 9.958 -10.213 5.090 1.00 64.20 C ATOM 659 CD2 PHE A 38 11.764 -9.049 6.125 1.00 32.32 C ATOM 660 CE1 PHE A 38 10.674 -10.280 3.909 1.00 31.32 C ATOM 661 CE2 PHE A 38 12.484 -9.113 4.947 1.00 32.02 C ATOM 662 CZ PHE A 38 11.939 -9.730 3.838 1.00 33.43 C ATOM 0 H PHE A 38 7.610 -10.144 8.619 1.00 4.13 H new ATOM 0 HA PHE A 38 9.645 -11.673 7.420 1.00 62.33 H new ATOM 0 HB2 PHE A 38 8.736 -9.087 7.288 1.00 44.02 H new ATOM 0 HB3 PHE A 38 10.225 -8.857 8.183 1.00 44.02 H new ATOM 0 HD1 PHE A 38 8.970 -10.646 5.140 1.00 64.20 H new ATOM 0 HD2 PHE A 38 12.196 -8.566 6.989 1.00 32.32 H new ATOM 0 HE1 PHE A 38 10.245 -10.762 3.043 1.00 31.32 H new ATOM 0 HE2 PHE A 38 13.472 -8.681 4.894 1.00 32.02 H new ATOM 0 HZ PHE A 38 12.501 -9.782 2.917 1.00 33.43 H new ATOM 672 N GLN A 39 10.338 -10.450 10.404 1.00 1.41 N ATOM 673 CA GLN A 39 11.262 -10.552 11.527 1.00 1.14 C ATOM 674 C GLN A 39 11.096 -11.885 12.249 1.00 13.15 C ATOM 675 O GLN A 39 12.012 -12.355 12.923 1.00 11.52 O ATOM 676 CB GLN A 39 11.039 -9.397 12.505 1.00 31.25 C ATOM 677 CG GLN A 39 9.663 -9.404 13.151 1.00 75.01 C ATOM 678 CD GLN A 39 9.583 -10.333 14.346 1.00 20.21 C ATOM 679 OE1 GLN A 39 10.603 -10.702 14.929 1.00 30.30 O ATOM 680 NE2 GLN A 39 8.367 -10.717 14.718 1.00 4.12 N ATOM 0 H GLN A 39 9.523 -9.863 10.580 1.00 1.41 H new ATOM 0 HA GLN A 39 12.278 -10.496 11.136 1.00 1.14 H new ATOM 0 HB2 GLN A 39 11.798 -9.441 13.286 1.00 31.25 H new ATOM 0 HB3 GLN A 39 11.179 -8.453 11.978 1.00 31.25 H new ATOM 0 HG2 GLN A 39 9.408 -8.392 13.465 1.00 75.01 H new ATOM 0 HG3 GLN A 39 8.921 -9.705 12.412 1.00 75.01 H new ATOM 0 HE21 GLN A 39 7.549 -10.387 14.206 1.00 4.12 H new ATOM 0 HE22 GLN A 39 8.251 -11.342 15.516 1.00 4.12 H new ATOM 689 N GLU A 40 9.920 -12.489 12.104 1.00 43.32 N ATOM 690 CA GLU A 40 9.635 -13.767 12.744 1.00 75.32 C ATOM 691 C GLU A 40 10.158 -14.927 11.901 1.00 52.32 C ATOM 692 O GLU A 40 10.561 -15.962 12.431 1.00 70.11 O ATOM 693 CB GLU A 40 8.129 -13.925 12.969 1.00 3.03 C ATOM 694 CG GLU A 40 7.738 -15.278 13.540 1.00 53.33 C ATOM 695 CD GLU A 40 8.355 -15.538 14.900 1.00 20.01 C ATOM 696 OE1 GLU A 40 8.256 -14.654 15.776 1.00 34.13 O ATOM 697 OE2 GLU A 40 8.938 -16.627 15.088 1.00 55.20 O ATOM 0 H GLU A 40 9.151 -12.114 11.549 1.00 43.32 H new ATOM 0 HA GLU A 40 10.144 -13.783 13.708 1.00 75.32 H new ATOM 0 HB2 GLU A 40 7.787 -13.142 13.646 1.00 3.03 H new ATOM 0 HB3 GLU A 40 7.611 -13.776 12.022 1.00 3.03 H new ATOM 0 HG2 GLU A 40 6.652 -15.334 13.621 1.00 53.33 H new ATOM 0 HG3 GLU A 40 8.047 -16.063 12.849 1.00 53.33 H new ATOM 704 N VAL A 41 10.148 -14.745 10.584 1.00 74.00 N ATOM 705 CA VAL A 41 10.621 -15.774 9.667 1.00 61.55 C ATOM 706 C VAL A 41 12.128 -15.673 9.457 1.00 53.33 C ATOM 707 O VAL A 41 12.781 -16.647 9.083 1.00 34.53 O ATOM 708 CB VAL A 41 9.916 -15.677 8.301 1.00 52.43 C ATOM 709 CG1 VAL A 41 8.412 -15.841 8.463 1.00 64.41 C ATOM 710 CG2 VAL A 41 10.246 -14.354 7.625 1.00 72.32 C ATOM 0 H VAL A 41 9.817 -13.894 10.129 1.00 74.00 H new ATOM 0 HA VAL A 41 10.384 -16.736 10.122 1.00 61.55 H new ATOM 0 HB VAL A 41 10.279 -16.485 7.666 1.00 52.43 H new ATOM 0 HG11 VAL A 41 7.931 -15.770 7.487 1.00 64.41 H new ATOM 0 HG12 VAL A 41 8.197 -16.815 8.903 1.00 64.41 H new ATOM 0 HG13 VAL A 41 8.029 -15.056 9.115 1.00 64.41 H new ATOM 0 HG21 VAL A 41 9.740 -14.302 6.661 1.00 72.32 H new ATOM 0 HG22 VAL A 41 9.912 -13.530 8.255 1.00 72.32 H new ATOM 0 HG23 VAL A 41 11.323 -14.281 7.474 1.00 72.32 H new ATOM 720 N PHE A 42 12.675 -14.486 9.700 1.00 74.23 N ATOM 721 CA PHE A 42 14.105 -14.256 9.537 1.00 24.10 C ATOM 722 C PHE A 42 14.854 -14.549 10.834 1.00 42.11 C ATOM 723 O PHE A 42 15.887 -15.218 10.830 1.00 54.01 O ATOM 724 CB PHE A 42 14.365 -12.813 9.100 1.00 51.03 C ATOM 725 CG PHE A 42 14.201 -12.595 7.623 1.00 74.54 C ATOM 726 CD1 PHE A 42 13.264 -13.319 6.902 1.00 13.24 C ATOM 727 CD2 PHE A 42 14.983 -11.668 6.954 1.00 5.13 C ATOM 728 CE1 PHE A 42 13.110 -13.121 5.543 1.00 14.11 C ATOM 729 CE2 PHE A 42 14.834 -11.465 5.595 1.00 34.44 C ATOM 730 CZ PHE A 42 13.897 -12.194 4.889 1.00 55.53 C ATOM 0 H PHE A 42 12.149 -13.669 10.010 1.00 74.23 H new ATOM 0 HA PHE A 42 14.471 -14.933 8.765 1.00 24.10 H new ATOM 0 HB2 PHE A 42 13.683 -12.152 9.635 1.00 51.03 H new ATOM 0 HB3 PHE A 42 15.377 -12.531 9.391 1.00 51.03 H new ATOM 0 HD1 PHE A 42 12.647 -14.046 7.408 1.00 13.24 H new ATOM 0 HD2 PHE A 42 15.718 -11.097 7.501 1.00 5.13 H new ATOM 0 HE1 PHE A 42 12.375 -13.690 4.993 1.00 14.11 H new ATOM 0 HE2 PHE A 42 15.449 -10.738 5.086 1.00 34.44 H new ATOM 0 HZ PHE A 42 13.780 -12.039 3.827 1.00 55.53 H new ATOM 740 N GLY A 43 14.325 -14.041 11.943 1.00 24.43 N ATOM 741 CA GLY A 43 14.956 -14.258 13.232 1.00 23.02 C ATOM 742 C GLY A 43 15.310 -12.960 13.930 1.00 13.32 C ATOM 743 O GLY A 43 15.135 -12.831 15.142 1.00 62.44 O ATOM 0 H GLY A 43 13.471 -13.483 11.972 1.00 24.43 H new ATOM 0 HA2 GLY A 43 14.287 -14.838 13.868 1.00 23.02 H new ATOM 0 HA3 GLY A 43 15.860 -14.852 13.095 1.00 23.02 H new ATOM 747 N MET A 44 15.809 -11.995 13.165 1.00 64.13 N ATOM 748 CA MET A 44 16.189 -10.700 13.718 1.00 72.31 C ATOM 749 C MET A 44 14.966 -9.806 13.896 1.00 41.34 C ATOM 750 O MET A 44 13.830 -10.252 13.737 1.00 62.50 O ATOM 751 CB MET A 44 17.210 -10.013 12.810 1.00 64.12 C ATOM 752 CG MET A 44 16.814 -10.010 11.342 1.00 32.03 C ATOM 753 SD MET A 44 17.652 -11.294 10.394 1.00 74.33 S ATOM 754 CE MET A 44 18.483 -10.309 9.150 1.00 10.14 C ATOM 0 H MET A 44 15.960 -12.085 12.160 1.00 64.13 H new ATOM 0 HA MET A 44 16.640 -10.868 14.696 1.00 72.31 H new ATOM 0 HB2 MET A 44 17.346 -8.984 13.143 1.00 64.12 H new ATOM 0 HB3 MET A 44 18.173 -10.512 12.917 1.00 64.12 H new ATOM 0 HG2 MET A 44 15.736 -10.149 11.260 1.00 32.03 H new ATOM 0 HG3 MET A 44 17.044 -9.036 10.910 1.00 32.03 H new ATOM 0 HE1 MET A 44 19.475 -10.721 8.962 1.00 10.14 H new ATOM 0 HE2 MET A 44 17.903 -10.324 8.227 1.00 10.14 H new ATOM 0 HE3 MET A 44 18.577 -9.282 9.502 1.00 10.14 H new ATOM 764 N SER A 45 15.207 -8.541 14.226 1.00 53.22 N ATOM 765 CA SER A 45 14.125 -7.585 14.429 1.00 14.30 C ATOM 766 C SER A 45 13.816 -6.831 13.139 1.00 61.22 C ATOM 767 O SER A 45 14.699 -6.611 12.309 1.00 23.25 O ATOM 768 CB SER A 45 14.492 -6.595 15.536 1.00 54.40 C ATOM 769 OG SER A 45 14.749 -5.307 15.004 1.00 53.34 O ATOM 0 H SER A 45 16.142 -8.155 14.358 1.00 53.22 H new ATOM 0 HA SER A 45 13.235 -8.139 14.727 1.00 14.30 H new ATOM 0 HB2 SER A 45 13.680 -6.537 16.260 1.00 54.40 H new ATOM 0 HB3 SER A 45 15.371 -6.953 16.071 1.00 54.40 H new ATOM 0 HG SER A 45 14.980 -4.693 15.732 1.00 53.34 H new ATOM 775 N ILE A 46 12.557 -6.439 12.977 1.00 0.41 N ATOM 776 CA ILE A 46 12.131 -5.709 11.789 1.00 24.02 C ATOM 777 C ILE A 46 12.979 -4.459 11.579 1.00 63.25 C ATOM 778 O ILE A 46 13.201 -4.032 10.446 1.00 23.01 O ATOM 779 CB ILE A 46 10.649 -5.301 11.880 1.00 2.22 C ATOM 780 CG1 ILE A 46 10.080 -5.051 10.482 1.00 12.52 C ATOM 781 CG2 ILE A 46 10.493 -4.063 12.751 1.00 62.01 C ATOM 782 CD1 ILE A 46 10.229 -3.619 10.016 1.00 23.22 C ATOM 0 H ILE A 46 11.814 -6.615 13.653 1.00 0.41 H new ATOM 0 HA ILE A 46 12.263 -6.381 10.941 1.00 24.02 H new ATOM 0 HB ILE A 46 10.090 -6.117 12.339 1.00 2.22 H new ATOM 0 HG12 ILE A 46 10.580 -5.710 9.772 1.00 12.52 H new ATOM 0 HG13 ILE A 46 9.023 -5.319 10.475 1.00 12.52 H new ATOM 0 HG21 ILE A 46 9.440 -3.787 12.806 1.00 62.01 H new ATOM 0 HG22 ILE A 46 10.865 -4.274 13.753 1.00 62.01 H new ATOM 0 HG23 ILE A 46 11.062 -3.240 12.319 1.00 62.01 H new ATOM 0 HD11 ILE A 46 9.804 -3.515 9.018 1.00 23.22 H new ATOM 0 HD12 ILE A 46 9.705 -2.956 10.704 1.00 23.22 H new ATOM 0 HD13 ILE A 46 11.286 -3.353 9.990 1.00 23.22 H new ATOM 794 N GLU A 47 13.452 -3.879 12.677 1.00 13.04 N ATOM 795 CA GLU A 47 14.277 -2.678 12.612 1.00 34.31 C ATOM 796 C GLU A 47 15.591 -2.960 11.890 1.00 1.11 C ATOM 797 O GLU A 47 16.086 -2.126 11.133 1.00 54.43 O ATOM 798 CB GLU A 47 14.558 -2.149 14.020 1.00 64.11 C ATOM 799 CG GLU A 47 13.331 -2.119 14.916 1.00 45.44 C ATOM 800 CD GLU A 47 13.519 -1.232 16.131 1.00 14.33 C ATOM 801 OE1 GLU A 47 14.183 -1.675 17.092 1.00 74.13 O ATOM 802 OE2 GLU A 47 13.001 -0.095 16.123 1.00 64.34 O ATOM 0 H GLU A 47 13.278 -4.221 13.622 1.00 13.04 H new ATOM 0 HA GLU A 47 13.729 -1.921 12.050 1.00 34.31 H new ATOM 0 HB2 GLU A 47 15.323 -2.770 14.486 1.00 64.11 H new ATOM 0 HB3 GLU A 47 14.968 -1.142 13.945 1.00 64.11 H new ATOM 0 HG2 GLU A 47 12.475 -1.766 14.342 1.00 45.44 H new ATOM 0 HG3 GLU A 47 13.099 -3.133 15.243 1.00 45.44 H new ATOM 809 N GLU A 48 16.151 -4.141 12.132 1.00 61.13 N ATOM 810 CA GLU A 48 17.409 -4.532 11.506 1.00 53.03 C ATOM 811 C GLU A 48 17.301 -4.473 9.985 1.00 51.53 C ATOM 812 O GLU A 48 18.210 -3.995 9.305 1.00 54.10 O ATOM 813 CB GLU A 48 17.806 -5.943 11.945 1.00 11.21 C ATOM 814 CG GLU A 48 19.297 -6.216 11.839 1.00 73.45 C ATOM 815 CD GLU A 48 20.083 -5.622 12.991 1.00 33.21 C ATOM 816 OE1 GLU A 48 19.894 -4.423 13.283 1.00 40.11 O ATOM 817 OE2 GLU A 48 20.887 -6.358 13.602 1.00 52.44 O ATOM 0 H GLU A 48 15.754 -4.843 12.756 1.00 61.13 H new ATOM 0 HA GLU A 48 18.178 -3.829 11.826 1.00 53.03 H new ATOM 0 HB2 GLU A 48 17.490 -6.096 12.977 1.00 11.21 H new ATOM 0 HB3 GLU A 48 17.268 -6.669 11.336 1.00 11.21 H new ATOM 0 HG2 GLU A 48 19.464 -7.293 11.807 1.00 73.45 H new ATOM 0 HG3 GLU A 48 19.671 -5.808 10.900 1.00 73.45 H new ATOM 824 N PHE A 49 16.184 -4.962 9.457 1.00 14.41 N ATOM 825 CA PHE A 49 15.957 -4.966 8.017 1.00 75.14 C ATOM 826 C PHE A 49 16.045 -3.553 7.448 1.00 72.03 C ATOM 827 O PHE A 49 16.822 -3.289 6.530 1.00 22.12 O ATOM 828 CB PHE A 49 14.589 -5.572 7.696 1.00 33.45 C ATOM 829 CG PHE A 49 14.367 -6.918 8.327 1.00 52.42 C ATOM 830 CD1 PHE A 49 15.382 -7.860 8.354 1.00 32.41 C ATOM 831 CD2 PHE A 49 13.144 -7.239 8.892 1.00 34.14 C ATOM 832 CE1 PHE A 49 15.180 -9.099 8.933 1.00 71.12 C ATOM 833 CE2 PHE A 49 12.936 -8.476 9.473 1.00 71.20 C ATOM 834 CZ PHE A 49 13.956 -9.407 9.494 1.00 50.00 C ATOM 0 H PHE A 49 15.422 -5.361 10.005 1.00 14.41 H new ATOM 0 HA PHE A 49 16.734 -5.574 7.554 1.00 75.14 H new ATOM 0 HB2 PHE A 49 13.810 -4.889 8.033 1.00 33.45 H new ATOM 0 HB3 PHE A 49 14.486 -5.665 6.615 1.00 33.45 H new ATOM 0 HD1 PHE A 49 16.342 -7.624 7.918 1.00 32.41 H new ATOM 0 HD2 PHE A 49 12.343 -6.514 8.879 1.00 34.14 H new ATOM 0 HE1 PHE A 49 15.979 -9.826 8.947 1.00 71.12 H new ATOM 0 HE2 PHE A 49 11.977 -8.714 9.910 1.00 71.20 H new ATOM 0 HZ PHE A 49 13.797 -10.374 9.948 1.00 50.00 H new ATOM 844 N ASP A 50 15.242 -2.649 7.999 1.00 44.15 N ATOM 845 CA ASP A 50 15.229 -1.262 7.547 1.00 22.33 C ATOM 846 C ASP A 50 16.625 -0.652 7.625 1.00 63.34 C ATOM 847 O ASP A 50 17.018 0.135 6.763 1.00 20.14 O ATOM 848 CB ASP A 50 14.252 -0.439 8.388 1.00 22.24 C ATOM 849 CG ASP A 50 13.840 0.848 7.702 1.00 10.43 C ATOM 850 OD1 ASP A 50 13.462 0.793 6.513 1.00 21.21 O ATOM 851 OD2 ASP A 50 13.894 1.912 8.355 1.00 64.52 O ATOM 0 H ASP A 50 14.592 -2.851 8.759 1.00 44.15 H new ATOM 0 HA ASP A 50 14.903 -1.247 6.507 1.00 22.33 H new ATOM 0 HB2 ASP A 50 13.364 -1.036 8.597 1.00 22.24 H new ATOM 0 HB3 ASP A 50 14.712 -0.205 9.348 1.00 22.24 H new ATOM 856 N ARG A 51 17.370 -1.020 8.662 1.00 33.52 N ATOM 857 CA ARG A 51 18.721 -0.508 8.853 1.00 1.22 C ATOM 858 C ARG A 51 19.695 -1.165 7.879 1.00 34.02 C ATOM 859 O ARG A 51 20.731 -0.592 7.539 1.00 32.41 O ATOM 860 CB ARG A 51 19.182 -0.748 10.292 1.00 61.31 C ATOM 861 CG ARG A 51 18.893 0.415 11.227 1.00 74.33 C ATOM 862 CD ARG A 51 17.607 0.195 12.008 1.00 33.41 C ATOM 863 NE ARG A 51 17.486 1.117 13.134 1.00 54.23 N ATOM 864 CZ ARG A 51 18.086 0.931 14.304 1.00 12.51 C ATOM 865 NH1 ARG A 51 18.845 -0.137 14.501 1.00 24.21 N ATOM 866 NH2 ARG A 51 17.927 1.816 15.280 1.00 2.13 N ATOM 0 H ARG A 51 17.060 -1.671 9.383 1.00 33.52 H new ATOM 0 HA ARG A 51 18.707 0.564 8.657 1.00 1.22 H new ATOM 0 HB2 ARG A 51 18.692 -1.643 10.677 1.00 61.31 H new ATOM 0 HB3 ARG A 51 20.254 -0.946 10.293 1.00 61.31 H new ATOM 0 HG2 ARG A 51 19.724 0.541 11.921 1.00 74.33 H new ATOM 0 HG3 ARG A 51 18.817 1.337 10.650 1.00 74.33 H new ATOM 0 HD2 ARG A 51 16.753 0.321 11.343 1.00 33.41 H new ATOM 0 HD3 ARG A 51 17.577 -0.831 12.375 1.00 33.41 H new ATOM 0 HE ARG A 51 16.909 1.950 13.015 1.00 54.23 H new ATOM 0 HH11 ARG A 51 18.970 -0.819 13.753 1.00 24.21 H new ATOM 0 HH12 ARG A 51 19.305 -0.277 15.401 1.00 24.21 H new ATOM 0 HH21 ARG A 51 17.344 2.640 15.132 1.00 2.13 H new ATOM 0 HH22 ARG A 51 18.388 1.673 16.178 1.00 2.13 H new ATOM 880 N LEU A 52 19.355 -2.370 7.434 1.00 1.24 N ATOM 881 CA LEU A 52 20.199 -3.106 6.500 1.00 61.05 C ATOM 882 C LEU A 52 20.003 -2.600 5.074 1.00 34.20 C ATOM 883 O LEU A 52 19.122 -1.782 4.811 1.00 1.42 O ATOM 884 CB LEU A 52 19.887 -4.602 6.570 1.00 41.15 C ATOM 885 CG LEU A 52 20.477 -5.356 7.762 1.00 42.50 C ATOM 886 CD1 LEU A 52 19.858 -6.740 7.878 1.00 12.43 C ATOM 887 CD2 LEU A 52 21.990 -5.455 7.634 1.00 23.40 C ATOM 0 H LEU A 52 18.501 -2.858 7.705 1.00 1.24 H new ATOM 0 HA LEU A 52 21.239 -2.944 6.783 1.00 61.05 H new ATOM 0 HB2 LEU A 52 18.804 -4.726 6.587 1.00 41.15 H new ATOM 0 HB3 LEU A 52 20.248 -5.071 5.655 1.00 41.15 H new ATOM 0 HG LEU A 52 20.245 -4.800 8.670 1.00 42.50 H new ATOM 0 HD11 LEU A 52 20.290 -7.262 8.732 1.00 12.43 H new ATOM 0 HD12 LEU A 52 18.781 -6.646 8.017 1.00 12.43 H new ATOM 0 HD13 LEU A 52 20.058 -7.306 6.968 1.00 12.43 H new ATOM 0 HD21 LEU A 52 22.393 -5.995 8.491 1.00 23.40 H new ATOM 0 HD22 LEU A 52 22.244 -5.988 6.718 1.00 23.40 H new ATOM 0 HD23 LEU A 52 22.419 -4.453 7.602 1.00 23.40 H new ATOM 899 N ALA A 53 20.828 -3.095 4.157 1.00 14.11 N ATOM 900 CA ALA A 53 20.742 -2.696 2.758 1.00 72.44 C ATOM 901 C ALA A 53 19.919 -3.696 1.952 1.00 65.14 C ATOM 902 O ALA A 53 19.543 -4.756 2.455 1.00 5.51 O ATOM 903 CB ALA A 53 22.135 -2.555 2.163 1.00 40.22 C ATOM 0 H ALA A 53 21.563 -3.773 4.358 1.00 14.11 H new ATOM 0 HA ALA A 53 20.239 -1.730 2.711 1.00 72.44 H new ATOM 0 HB1 ALA A 53 22.056 -2.257 1.118 1.00 40.22 H new ATOM 0 HB2 ALA A 53 22.692 -1.798 2.715 1.00 40.22 H new ATOM 0 HB3 ALA A 53 22.657 -3.509 2.229 1.00 40.22 H new ATOM 909 N LEU A 54 19.643 -3.353 0.698 1.00 35.15 N ATOM 910 CA LEU A 54 18.863 -4.221 -0.178 1.00 4.10 C ATOM 911 C LEU A 54 19.542 -5.577 -0.345 1.00 11.20 C ATOM 912 O LEU A 54 18.945 -6.618 -0.073 1.00 75.32 O ATOM 913 CB LEU A 54 18.674 -3.561 -1.545 1.00 0.22 C ATOM 914 CG LEU A 54 17.341 -3.833 -2.243 1.00 10.13 C ATOM 915 CD1 LEU A 54 17.511 -3.792 -3.753 1.00 42.44 C ATOM 916 CD2 LEU A 54 16.774 -5.175 -1.805 1.00 31.35 C ATOM 0 H LEU A 54 19.947 -2.481 0.265 1.00 35.15 H new ATOM 0 HA LEU A 54 17.887 -4.378 0.281 1.00 4.10 H new ATOM 0 HB2 LEU A 54 18.785 -2.483 -1.424 1.00 0.22 H new ATOM 0 HB3 LEU A 54 19.479 -3.893 -2.201 1.00 0.22 H new ATOM 0 HG LEU A 54 16.637 -3.052 -1.956 1.00 10.13 H new ATOM 0 HD11 LEU A 54 16.552 -3.988 -4.233 1.00 42.44 H new ATOM 0 HD12 LEU A 54 17.872 -2.808 -4.052 1.00 42.44 H new ATOM 0 HD13 LEU A 54 18.231 -4.551 -4.059 1.00 42.44 H new ATOM 0 HD21 LEU A 54 15.825 -5.352 -2.312 1.00 31.35 H new ATOM 0 HD22 LEU A 54 17.476 -5.968 -2.062 1.00 31.35 H new ATOM 0 HD23 LEU A 54 16.614 -5.168 -0.727 1.00 31.35 H new ATOM 928 N TRP A 55 20.792 -5.555 -0.791 1.00 64.43 N ATOM 929 CA TRP A 55 21.553 -6.784 -0.992 1.00 41.42 C ATOM 930 C TRP A 55 21.360 -7.741 0.178 1.00 33.32 C ATOM 931 O TRP A 55 21.231 -8.951 -0.011 1.00 21.11 O ATOM 932 CB TRP A 55 23.039 -6.465 -1.166 1.00 51.13 C ATOM 933 CG TRP A 55 23.699 -6.003 0.098 1.00 64.45 C ATOM 934 CD1 TRP A 55 23.826 -4.715 0.533 1.00 71.10 C ATOM 935 CD2 TRP A 55 24.325 -6.827 1.087 1.00 2.14 C ATOM 936 NE1 TRP A 55 24.493 -4.688 1.734 1.00 32.31 N ATOM 937 CE2 TRP A 55 24.809 -5.971 2.096 1.00 1.12 C ATOM 938 CE3 TRP A 55 24.522 -8.204 1.221 1.00 1.11 C ATOM 939 CZ2 TRP A 55 25.477 -6.449 3.220 1.00 4.22 C ATOM 940 CZ3 TRP A 55 25.186 -8.677 2.337 1.00 11.42 C ATOM 941 CH2 TRP A 55 25.656 -7.801 3.325 1.00 23.42 C ATOM 0 H TRP A 55 21.301 -4.701 -1.020 1.00 64.43 H new ATOM 0 HA TRP A 55 21.184 -7.267 -1.897 1.00 41.42 H new ATOM 0 HB2 TRP A 55 23.554 -7.353 -1.532 1.00 51.13 H new ATOM 0 HB3 TRP A 55 23.151 -5.694 -1.929 1.00 51.13 H new ATOM 0 HD1 TRP A 55 23.457 -3.845 0.010 1.00 71.10 H new ATOM 0 HE1 TRP A 55 24.717 -3.849 2.269 1.00 32.31 H new ATOM 0 HE3 TRP A 55 24.162 -8.887 0.466 1.00 1.11 H new ATOM 0 HZ2 TRP A 55 25.841 -5.776 3.982 1.00 4.22 H new ATOM 0 HZ3 TRP A 55 25.345 -9.739 2.450 1.00 11.42 H new ATOM 0 HH2 TRP A 55 26.170 -8.201 4.186 1.00 23.42 H new ATOM 952 N LYS A 56 21.340 -7.193 1.388 1.00 34.35 N ATOM 953 CA LYS A 56 21.160 -7.999 2.591 1.00 42.43 C ATOM 954 C LYS A 56 19.737 -8.542 2.674 1.00 24.03 C ATOM 955 O LYS A 56 19.531 -9.733 2.908 1.00 14.10 O ATOM 956 CB LYS A 56 21.474 -7.168 3.837 1.00 24.32 C ATOM 957 CG LYS A 56 21.617 -7.999 5.101 1.00 2.50 C ATOM 958 CD LYS A 56 23.005 -8.608 5.214 1.00 14.33 C ATOM 959 CE LYS A 56 23.224 -9.246 6.578 1.00 54.34 C ATOM 960 NZ LYS A 56 24.650 -9.174 7.001 1.00 54.21 N ATOM 0 H LYS A 56 21.446 -6.194 1.562 1.00 34.35 H new ATOM 0 HA LYS A 56 21.849 -8.842 2.541 1.00 42.43 H new ATOM 0 HB2 LYS A 56 22.397 -6.613 3.670 1.00 24.32 H new ATOM 0 HB3 LYS A 56 20.682 -6.433 3.983 1.00 24.32 H new ATOM 0 HG2 LYS A 56 21.421 -7.374 5.972 1.00 2.50 H new ATOM 0 HG3 LYS A 56 20.869 -8.792 5.103 1.00 2.50 H new ATOM 0 HD2 LYS A 56 23.139 -9.358 4.434 1.00 14.33 H new ATOM 0 HD3 LYS A 56 23.757 -7.837 5.047 1.00 14.33 H new ATOM 0 HE2 LYS A 56 22.600 -8.745 7.318 1.00 54.34 H new ATOM 0 HE3 LYS A 56 22.907 -10.288 6.547 1.00 54.34 H new ATOM 0 HZ1 LYS A 56 24.758 -9.619 7.935 1.00 54.21 H new ATOM 0 HZ2 LYS A 56 25.243 -9.674 6.308 1.00 54.21 H new ATOM 0 HZ3 LYS A 56 24.946 -8.179 7.056 1.00 54.21 H new ATOM 974 N ARG A 57 18.760 -7.662 2.480 1.00 25.15 N ATOM 975 CA ARG A 57 17.357 -8.054 2.534 1.00 63.42 C ATOM 976 C ARG A 57 17.067 -9.172 1.537 1.00 61.43 C ATOM 977 O ARG A 57 16.293 -10.086 1.821 1.00 4.51 O ATOM 978 CB ARG A 57 16.458 -6.851 2.243 1.00 20.44 C ATOM 979 CG ARG A 57 16.856 -5.596 3.003 1.00 71.23 C ATOM 980 CD ARG A 57 15.697 -5.050 3.822 1.00 22.02 C ATOM 981 NE ARG A 57 14.577 -4.638 2.980 1.00 45.00 N ATOM 982 CZ ARG A 57 14.522 -3.469 2.352 1.00 15.30 C ATOM 983 NH1 ARG A 57 15.517 -2.601 2.470 1.00 13.44 N ATOM 984 NH2 ARG A 57 13.469 -3.166 1.603 1.00 33.13 N ATOM 0 H ARG A 57 18.914 -6.673 2.284 1.00 25.15 H new ATOM 0 HA ARG A 57 17.146 -8.422 3.538 1.00 63.42 H new ATOM 0 HB2 ARG A 57 16.481 -6.641 1.174 1.00 20.44 H new ATOM 0 HB3 ARG A 57 15.429 -7.107 2.495 1.00 20.44 H new ATOM 0 HG2 ARG A 57 17.695 -5.819 3.662 1.00 71.23 H new ATOM 0 HG3 ARG A 57 17.196 -4.836 2.300 1.00 71.23 H new ATOM 0 HD2 ARG A 57 15.360 -5.811 4.526 1.00 22.02 H new ATOM 0 HD3 ARG A 57 16.039 -4.200 4.412 1.00 22.02 H new ATOM 0 HE ARG A 57 13.795 -5.283 2.868 1.00 45.00 H new ATOM 0 HH11 ARG A 57 16.328 -2.830 3.044 1.00 13.44 H new ATOM 0 HH12 ARG A 57 15.471 -1.704 1.986 1.00 13.44 H new ATOM 0 HH21 ARG A 57 12.701 -3.831 1.509 1.00 33.13 H new ATOM 0 HH22 ARG A 57 13.427 -2.268 1.121 1.00 33.13 H new ATOM 998 N ASN A 58 17.693 -9.092 0.367 1.00 22.40 N ATOM 999 CA ASN A 58 17.501 -10.097 -0.673 1.00 3.21 C ATOM 1000 C ASN A 58 18.081 -11.441 -0.244 1.00 62.23 C ATOM 1001 O ASN A 58 17.403 -12.467 -0.299 1.00 30.20 O ATOM 1002 CB ASN A 58 18.154 -9.640 -1.979 1.00 4.11 C ATOM 1003 CG ASN A 58 17.219 -8.805 -2.832 1.00 31.10 C ATOM 1004 OD1 ASN A 58 16.040 -9.128 -2.979 1.00 62.41 O ATOM 1005 ND2 ASN A 58 17.742 -7.724 -3.399 1.00 60.44 N ATOM 0 H ASN A 58 18.337 -8.342 0.115 1.00 22.40 H new ATOM 0 HA ASN A 58 16.430 -10.219 -0.833 1.00 3.21 H new ATOM 0 HB2 ASN A 58 19.049 -9.060 -1.751 1.00 4.11 H new ATOM 0 HB3 ASN A 58 18.476 -10.513 -2.546 1.00 4.11 H new ATOM 0 HD21 ASN A 58 17.161 -7.123 -3.984 1.00 60.44 H new ATOM 0 HD22 ASN A 58 18.725 -7.495 -3.250 1.00 60.44 H new ATOM 1012 N ASP A 59 19.339 -11.428 0.182 1.00 2.54 N ATOM 1013 CA ASP A 59 20.011 -12.645 0.622 1.00 34.03 C ATOM 1014 C ASP A 59 19.207 -13.345 1.714 1.00 53.04 C ATOM 1015 O ASP A 59 18.904 -14.534 1.610 1.00 32.53 O ATOM 1016 CB ASP A 59 21.415 -12.322 1.134 1.00 2.21 C ATOM 1017 CG ASP A 59 22.184 -13.564 1.540 1.00 15.03 C ATOM 1018 OD1 ASP A 59 22.377 -14.450 0.681 1.00 13.04 O ATOM 1019 OD2 ASP A 59 22.592 -13.650 2.717 1.00 44.20 O ATOM 0 H ASP A 59 19.915 -10.587 0.232 1.00 2.54 H new ATOM 0 HA ASP A 59 20.090 -13.316 -0.233 1.00 34.03 H new ATOM 0 HB2 ASP A 59 21.969 -11.793 0.358 1.00 2.21 H new ATOM 0 HB3 ASP A 59 21.341 -11.649 1.988 1.00 2.21 H new ATOM 1024 N LEU A 60 18.865 -12.600 2.759 1.00 20.32 N ATOM 1025 CA LEU A 60 18.097 -13.149 3.871 1.00 32.42 C ATOM 1026 C LEU A 60 16.773 -13.731 3.384 1.00 25.01 C ATOM 1027 O LEU A 60 16.321 -14.767 3.871 1.00 23.44 O ATOM 1028 CB LEU A 60 17.836 -12.067 4.920 1.00 31.02 C ATOM 1029 CG LEU A 60 19.074 -11.378 5.496 1.00 34.20 C ATOM 1030 CD1 LEU A 60 18.747 -9.951 5.907 1.00 4.13 C ATOM 1031 CD2 LEU A 60 19.620 -12.164 6.679 1.00 33.40 C ATOM 0 H LEU A 60 19.107 -11.614 2.860 1.00 20.32 H new ATOM 0 HA LEU A 60 18.681 -13.951 4.323 1.00 32.42 H new ATOM 0 HB2 LEU A 60 17.195 -11.306 4.476 1.00 31.02 H new ATOM 0 HB3 LEU A 60 17.278 -12.514 5.743 1.00 31.02 H new ATOM 0 HG LEU A 60 19.841 -11.345 4.722 1.00 34.20 H new ATOM 0 HD11 LEU A 60 19.639 -9.476 6.315 1.00 4.13 H new ATOM 0 HD12 LEU A 60 18.403 -9.391 5.037 1.00 4.13 H new ATOM 0 HD13 LEU A 60 17.963 -9.961 6.664 1.00 4.13 H new ATOM 0 HD21 LEU A 60 20.501 -11.659 7.076 1.00 33.40 H new ATOM 0 HD22 LEU A 60 18.858 -12.229 7.456 1.00 33.40 H new ATOM 0 HD23 LEU A 60 19.893 -13.168 6.354 1.00 33.40 H new ATOM 1043 N LYS A 61 16.157 -13.058 2.418 1.00 64.40 N ATOM 1044 CA LYS A 61 14.888 -13.509 1.861 1.00 35.01 C ATOM 1045 C LYS A 61 15.010 -14.923 1.302 1.00 34.25 C ATOM 1046 O LYS A 61 14.257 -15.820 1.684 1.00 52.34 O ATOM 1047 CB LYS A 61 14.422 -12.553 0.761 1.00 73.04 C ATOM 1048 CG LYS A 61 13.489 -11.462 1.257 1.00 1.13 C ATOM 1049 CD LYS A 61 12.693 -10.848 0.118 1.00 15.03 C ATOM 1050 CE LYS A 61 13.428 -9.672 -0.506 1.00 63.31 C ATOM 1051 NZ LYS A 61 12.530 -8.845 -1.358 1.00 71.02 N ATOM 0 H LYS A 61 16.517 -12.198 2.005 1.00 64.40 H new ATOM 0 HA LYS A 61 14.151 -13.517 2.664 1.00 35.01 H new ATOM 0 HB2 LYS A 61 15.295 -12.091 0.300 1.00 73.04 H new ATOM 0 HB3 LYS A 61 13.916 -13.126 -0.016 1.00 73.04 H new ATOM 0 HG2 LYS A 61 12.805 -11.876 1.998 1.00 1.13 H new ATOM 0 HG3 LYS A 61 14.069 -10.686 1.757 1.00 1.13 H new ATOM 0 HD2 LYS A 61 12.503 -11.605 -0.643 1.00 15.03 H new ATOM 0 HD3 LYS A 61 11.723 -10.517 0.488 1.00 15.03 H new ATOM 0 HE2 LYS A 61 13.854 -9.051 0.282 1.00 63.31 H new ATOM 0 HE3 LYS A 61 14.260 -10.041 -1.106 1.00 63.31 H new ATOM 0 HZ1 LYS A 61 13.085 -8.398 -2.115 1.00 71.02 H new ATOM 0 HZ2 LYS A 61 11.796 -9.450 -1.778 1.00 71.02 H new ATOM 0 HZ3 LYS A 61 12.081 -8.109 -0.777 1.00 71.02 H new ATOM 1065 N LYS A 62 15.963 -15.117 0.398 1.00 44.31 N ATOM 1066 CA LYS A 62 16.187 -16.422 -0.212 1.00 31.33 C ATOM 1067 C LYS A 62 16.398 -17.492 0.855 1.00 11.11 C ATOM 1068 O LYS A 62 15.889 -18.607 0.740 1.00 63.30 O ATOM 1069 CB LYS A 62 17.399 -16.372 -1.145 1.00 13.41 C ATOM 1070 CG LYS A 62 17.251 -15.373 -2.280 1.00 21.02 C ATOM 1071 CD LYS A 62 18.465 -14.466 -2.386 1.00 4.21 C ATOM 1072 CE LYS A 62 18.258 -13.377 -3.427 1.00 43.33 C ATOM 1073 NZ LYS A 62 19.475 -12.535 -3.600 1.00 31.54 N ATOM 0 H LYS A 62 16.594 -14.386 0.071 1.00 44.31 H new ATOM 0 HA LYS A 62 15.301 -16.680 -0.792 1.00 31.33 H new ATOM 0 HB2 LYS A 62 18.285 -16.119 -0.563 1.00 13.41 H new ATOM 0 HB3 LYS A 62 17.565 -17.364 -1.565 1.00 13.41 H new ATOM 0 HG2 LYS A 62 17.111 -15.907 -3.220 1.00 21.02 H new ATOM 0 HG3 LYS A 62 16.358 -14.769 -2.120 1.00 21.02 H new ATOM 0 HD2 LYS A 62 18.666 -14.010 -1.416 1.00 4.21 H new ATOM 0 HD3 LYS A 62 19.342 -15.059 -2.647 1.00 4.21 H new ATOM 0 HE2 LYS A 62 17.993 -13.833 -4.381 1.00 43.33 H new ATOM 0 HE3 LYS A 62 17.419 -12.747 -3.131 1.00 43.33 H new ATOM 0 HZ1 LYS A 62 19.236 -11.690 -4.158 1.00 31.54 H new ATOM 0 HZ2 LYS A 62 19.832 -12.245 -2.667 1.00 31.54 H new ATOM 0 HZ3 LYS A 62 20.208 -13.082 -4.096 1.00 31.54 H new ATOM 1087 N LYS A 63 17.150 -17.145 1.894 1.00 12.30 N ATOM 1088 CA LYS A 63 17.426 -18.073 2.984 1.00 62.45 C ATOM 1089 C LYS A 63 16.145 -18.437 3.727 1.00 51.30 C ATOM 1090 O LYS A 63 16.004 -19.550 4.232 1.00 74.00 O ATOM 1091 CB LYS A 63 18.438 -17.464 3.957 1.00 53.43 C ATOM 1092 CG LYS A 63 19.881 -17.623 3.512 1.00 4.33 C ATOM 1093 CD LYS A 63 20.829 -16.838 4.404 1.00 20.33 C ATOM 1094 CE LYS A 63 21.068 -17.551 5.726 1.00 22.25 C ATOM 1095 NZ LYS A 63 22.141 -18.578 5.617 1.00 71.33 N ATOM 0 H LYS A 63 17.580 -16.226 2.004 1.00 12.30 H new ATOM 0 HA LYS A 63 17.847 -18.982 2.555 1.00 62.45 H new ATOM 0 HB2 LYS A 63 18.219 -16.403 4.079 1.00 53.43 H new ATOM 0 HB3 LYS A 63 18.315 -17.930 4.935 1.00 53.43 H new ATOM 0 HG2 LYS A 63 20.154 -18.678 3.529 1.00 4.33 H new ATOM 0 HG3 LYS A 63 19.985 -17.283 2.481 1.00 4.33 H new ATOM 0 HD2 LYS A 63 21.779 -16.694 3.890 1.00 20.33 H new ATOM 0 HD3 LYS A 63 20.416 -15.847 4.593 1.00 20.33 H new ATOM 0 HE2 LYS A 63 21.340 -16.821 6.488 1.00 22.25 H new ATOM 0 HE3 LYS A 63 20.143 -18.025 6.055 1.00 22.25 H new ATOM 0 HZ1 LYS A 63 22.273 -19.041 6.539 1.00 71.33 H new ATOM 0 HZ2 LYS A 63 21.870 -19.289 4.908 1.00 71.33 H new ATOM 0 HZ3 LYS A 63 23.030 -18.122 5.328 1.00 71.33 H new ATOM 1109 N ALA A 64 15.213 -17.491 3.789 1.00 45.32 N ATOM 1110 CA ALA A 64 13.943 -17.713 4.467 1.00 33.03 C ATOM 1111 C ALA A 64 12.960 -18.451 3.564 1.00 10.24 C ATOM 1112 O ALA A 64 11.791 -18.624 3.913 1.00 62.55 O ATOM 1113 CB ALA A 64 13.350 -16.389 4.925 1.00 51.51 C ATOM 0 H ALA A 64 15.315 -16.563 3.377 1.00 45.32 H new ATOM 0 HA ALA A 64 14.131 -18.336 5.342 1.00 33.03 H new ATOM 0 HB1 ALA A 64 12.401 -16.571 5.430 1.00 51.51 H new ATOM 0 HB2 ALA A 64 14.040 -15.900 5.613 1.00 51.51 H new ATOM 0 HB3 ALA A 64 13.184 -15.746 4.060 1.00 51.51 H new ATOM 1119 N LEU A 65 13.440 -18.883 2.403 1.00 1.55 N ATOM 1120 CA LEU A 65 12.603 -19.602 1.449 1.00 2.33 C ATOM 1121 C LEU A 65 11.573 -18.671 0.819 1.00 55.41 C ATOM 1122 O LEU A 65 10.460 -19.087 0.495 1.00 73.34 O ATOM 1123 CB LEU A 65 11.897 -20.770 2.140 1.00 61.05 C ATOM 1124 CG LEU A 65 12.745 -21.583 3.119 1.00 51.33 C ATOM 1125 CD1 LEU A 65 11.858 -22.440 4.009 1.00 42.14 C ATOM 1126 CD2 LEU A 65 13.745 -22.449 2.367 1.00 42.42 C ATOM 0 H LEU A 65 14.404 -18.748 2.100 1.00 1.55 H new ATOM 0 HA LEU A 65 13.246 -19.990 0.659 1.00 2.33 H new ATOM 0 HB2 LEU A 65 11.033 -20.379 2.677 1.00 61.05 H new ATOM 0 HB3 LEU A 65 11.518 -21.444 1.372 1.00 61.05 H new ATOM 0 HG LEU A 65 13.299 -20.890 3.752 1.00 51.33 H new ATOM 0 HD11 LEU A 65 12.479 -23.011 4.699 1.00 42.14 H new ATOM 0 HD12 LEU A 65 11.182 -21.799 4.575 1.00 42.14 H new ATOM 0 HD13 LEU A 65 11.277 -23.125 3.392 1.00 42.14 H new ATOM 0 HD21 LEU A 65 14.340 -23.020 3.080 1.00 42.42 H new ATOM 0 HD22 LEU A 65 13.210 -23.134 1.709 1.00 42.42 H new ATOM 0 HD23 LEU A 65 14.402 -21.814 1.773 1.00 42.42 H new ATOM 1138 N LEU A 66 11.950 -17.409 0.646 1.00 4.21 N ATOM 1139 CA LEU A 66 11.060 -16.418 0.052 1.00 52.01 C ATOM 1140 C LEU A 66 11.241 -16.361 -1.462 1.00 32.34 C ATOM 1141 O LEU A 66 10.296 -16.082 -2.200 1.00 62.13 O ATOM 1142 CB LEU A 66 11.321 -15.039 0.660 1.00 12.11 C ATOM 1143 CG LEU A 66 10.389 -14.620 1.798 1.00 23.01 C ATOM 1144 CD1 LEU A 66 11.099 -13.663 2.744 1.00 74.41 C ATOM 1145 CD2 LEU A 66 9.123 -13.984 1.244 1.00 52.11 C ATOM 0 H LEU A 66 12.867 -17.048 0.909 1.00 4.21 H new ATOM 0 HA LEU A 66 10.033 -16.714 0.266 1.00 52.01 H new ATOM 0 HB2 LEU A 66 12.346 -15.015 1.029 1.00 12.11 H new ATOM 0 HB3 LEU A 66 11.250 -14.295 -0.133 1.00 12.11 H new ATOM 0 HG LEU A 66 10.108 -15.511 2.359 1.00 23.01 H new ATOM 0 HD11 LEU A 66 10.421 -13.375 3.547 1.00 74.41 H new ATOM 0 HD12 LEU A 66 11.976 -14.153 3.167 1.00 74.41 H new ATOM 0 HD13 LEU A 66 11.410 -12.774 2.196 1.00 74.41 H new ATOM 0 HD21 LEU A 66 8.472 -13.692 2.068 1.00 52.11 H new ATOM 0 HD22 LEU A 66 9.385 -13.103 0.659 1.00 52.11 H new ATOM 0 HD23 LEU A 66 8.604 -14.701 0.608 1.00 52.11 H new ATOM 1157 N PHE A 67 12.460 -16.630 -1.917 1.00 70.10 N ATOM 1158 CA PHE A 67 12.765 -16.611 -3.343 1.00 31.01 C ATOM 1159 C PHE A 67 13.030 -18.021 -3.861 1.00 62.53 C ATOM 1160 O PHE A 67 14.147 -18.345 -4.264 1.00 71.00 O ATOM 1161 CB PHE A 67 13.978 -15.719 -3.615 1.00 11.02 C ATOM 1162 CG PHE A 67 13.700 -14.255 -3.426 1.00 31.11 C ATOM 1163 CD1 PHE A 67 12.406 -13.802 -3.228 1.00 75.13 C ATOM 1164 CD2 PHE A 67 14.733 -13.332 -3.446 1.00 50.04 C ATOM 1165 CE1 PHE A 67 12.146 -12.456 -3.054 1.00 2.42 C ATOM 1166 CE2 PHE A 67 14.480 -11.985 -3.272 1.00 12.50 C ATOM 1167 CZ PHE A 67 13.185 -11.546 -3.077 1.00 12.33 C ATOM 0 H PHE A 67 13.253 -16.864 -1.319 1.00 70.10 H new ATOM 0 HA PHE A 67 11.900 -16.206 -3.869 1.00 31.01 H new ATOM 0 HB2 PHE A 67 14.792 -16.014 -2.953 1.00 11.02 H new ATOM 0 HB3 PHE A 67 14.321 -15.887 -4.636 1.00 11.02 H new ATOM 0 HD1 PHE A 67 11.590 -14.510 -3.209 1.00 75.13 H new ATOM 0 HD2 PHE A 67 15.747 -13.669 -3.599 1.00 50.04 H new ATOM 0 HE1 PHE A 67 11.132 -12.116 -2.900 1.00 2.42 H new ATOM 0 HE2 PHE A 67 15.294 -11.276 -3.288 1.00 12.50 H new ATOM 0 HZ PHE A 67 12.985 -10.493 -2.943 1.00 12.33 H new TER 1177 PHE A 67