USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 673 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 35 LYS NZ :NH3+ -133:sc= -0.958 (180deg=0) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.922 K(o=-1.9,f=-3.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -15:sc= 0.737 USER MOD Single : A 8 SER OG : rot -88:sc= 0.0878 USER MOD Single : A 9 MET CE :methyl -141:sc= -1.72 (180deg=-4.2!) USER MOD Single : A 10 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.72) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -41:sc= -1.2 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.13 (180deg=-0.682) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -95:sc= -2.13 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -0.0448 (180deg=-0.271) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= 0.495 (180deg=0.181) USER MOD Single : A 48 GLN : amide:sc= -1.42 K(o=-1.4,f=0) USER MOD Single : A 49 GLN : amide:sc= -4.62! C(o=-4.6!,f=-5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 63 THR OG1 : rot 160:sc= -0.655 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 30:sc= -0.632 USER MOD Single : A 68 ASN : amide:sc= -0.0736 X(o=-0.074,f=-0.073) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 71 LYS NZ :NH3+ -127:sc= -1.18 (180deg=-4.45!) USER MOD Single : A 73 SER OG : rot 32:sc= 0.961 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -3.73 K(o=-3.7,f=-4.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.1) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.239 22.889 -4.324 1.00 64.25 N ATOM 2 CA GLY A 1 -20.045 23.476 -3.741 1.00 54.22 C ATOM 3 C GLY A 1 -19.331 22.523 -2.803 1.00 60.15 C ATOM 4 O GLY A 1 -19.920 22.028 -1.843 1.00 73.12 O ATOM 0 H1 GLY A 1 -21.691 23.579 -4.957 1.00 64.25 H new ATOM 0 H2 GLY A 1 -20.979 22.040 -4.866 1.00 64.25 H new ATOM 0 H3 GLY A 1 -21.902 22.627 -3.567 1.00 64.25 H new ATOM 0 HA2 GLY A 1 -19.364 23.775 -4.538 1.00 54.22 H new ATOM 0 HA3 GLY A 1 -20.317 24.381 -3.198 1.00 54.22 H new ATOM 8 N SER A 2 -18.057 22.265 -3.082 1.00 43.31 N ATOM 9 CA SER A 2 -17.262 21.361 -2.258 1.00 11.24 C ATOM 10 C SER A 2 -15.771 21.626 -2.445 1.00 53.41 C ATOM 11 O SER A 2 -15.369 22.385 -3.328 1.00 50.44 O ATOM 12 CB SER A 2 -17.580 19.906 -2.607 1.00 34.14 C ATOM 13 OG SER A 2 -18.954 19.622 -2.403 1.00 1.12 O ATOM 0 H SER A 2 -17.553 22.669 -3.872 1.00 43.31 H new ATOM 0 HA SER A 2 -17.518 21.541 -1.214 1.00 11.24 H new ATOM 0 HB2 SER A 2 -17.315 19.712 -3.646 1.00 34.14 H new ATOM 0 HB3 SER A 2 -16.973 19.240 -1.994 1.00 34.14 H new ATOM 0 HG SER A 2 -19.357 20.330 -1.859 1.00 1.12 H new ATOM 18 N LEU A 3 -14.956 20.995 -1.608 1.00 65.13 N ATOM 19 CA LEU A 3 -13.507 21.160 -1.679 1.00 11.15 C ATOM 20 C LEU A 3 -12.975 20.721 -3.039 1.00 20.03 C ATOM 21 O LEU A 3 -13.612 19.936 -3.743 1.00 73.15 O ATOM 22 CB LEU A 3 -12.827 20.358 -0.569 1.00 54.31 C ATOM 23 CG LEU A 3 -12.889 18.836 -0.707 1.00 62.23 C ATOM 24 CD1 LEU A 3 -11.640 18.196 -0.120 1.00 62.23 C ATOM 25 CD2 LEU A 3 -14.137 18.290 -0.032 1.00 54.23 C ATOM 0 H LEU A 3 -15.273 20.364 -0.872 1.00 65.13 H new ATOM 0 HA LEU A 3 -13.280 22.218 -1.545 1.00 11.15 H new ATOM 0 HB2 LEU A 3 -11.780 20.656 -0.522 1.00 54.31 H new ATOM 0 HB3 LEU A 3 -13.281 20.635 0.383 1.00 54.31 H new ATOM 0 HG LEU A 3 -12.936 18.588 -1.767 1.00 62.23 H new ATOM 0 HD11 LEU A 3 -11.702 17.113 -0.227 1.00 62.23 H new ATOM 0 HD12 LEU A 3 -10.760 18.563 -0.648 1.00 62.23 H new ATOM 0 HD13 LEU A 3 -11.562 18.452 0.937 1.00 62.23 H new ATOM 0 HD21 LEU A 3 -14.164 17.206 -0.140 1.00 54.23 H new ATOM 0 HD22 LEU A 3 -14.121 18.549 1.027 1.00 54.23 H new ATOM 0 HD23 LEU A 3 -15.022 18.724 -0.498 1.00 54.23 H new ATOM 36 N VAL A 4 -11.803 21.231 -3.404 1.00 73.02 N ATOM 37 CA VAL A 4 -11.183 20.889 -4.678 1.00 50.11 C ATOM 38 C VAL A 4 -9.889 20.111 -4.468 1.00 42.23 C ATOM 39 O VAL A 4 -9.245 20.199 -3.422 1.00 54.22 O ATOM 40 CB VAL A 4 -10.883 22.148 -5.512 1.00 31.01 C ATOM 41 CG1 VAL A 4 -12.153 22.673 -6.163 1.00 35.13 C ATOM 42 CG2 VAL A 4 -10.235 23.218 -4.647 1.00 34.02 C ATOM 0 H VAL A 4 -11.264 21.883 -2.835 1.00 73.02 H new ATOM 0 HA VAL A 4 -11.895 20.265 -5.219 1.00 50.11 H new ATOM 0 HB VAL A 4 -10.183 21.880 -6.303 1.00 31.01 H new ATOM 0 HG11 VAL A 4 -11.921 23.563 -6.748 1.00 35.13 H new ATOM 0 HG12 VAL A 4 -12.570 21.907 -6.817 1.00 35.13 H new ATOM 0 HG13 VAL A 4 -12.880 22.926 -5.391 1.00 35.13 H new ATOM 0 HG21 VAL A 4 -10.030 24.101 -5.253 1.00 34.02 H new ATOM 0 HG22 VAL A 4 -10.909 23.485 -3.833 1.00 34.02 H new ATOM 0 HG23 VAL A 4 -9.301 22.836 -4.234 1.00 34.02 H new ATOM 52 N PRO A 5 -9.496 19.330 -5.485 1.00 0.44 N ATOM 53 CA PRO A 5 -8.274 18.522 -5.438 1.00 61.14 C ATOM 54 C PRO A 5 -7.011 19.377 -5.477 1.00 54.40 C ATOM 55 O PRO A 5 -7.075 20.583 -5.716 1.00 2.21 O ATOM 56 CB PRO A 5 -8.372 17.656 -6.695 1.00 41.51 C ATOM 57 CG PRO A 5 -9.232 18.436 -7.628 1.00 35.33 C ATOM 58 CD PRO A 5 -10.214 19.178 -6.763 1.00 75.34 C ATOM 0 HA PRO A 5 -8.200 17.949 -4.514 1.00 61.14 H new ATOM 0 HB2 PRO A 5 -7.388 17.471 -7.125 1.00 41.51 H new ATOM 0 HB3 PRO A 5 -8.811 16.683 -6.472 1.00 41.51 H new ATOM 0 HG2 PRO A 5 -8.635 19.128 -8.223 1.00 35.33 H new ATOM 0 HG3 PRO A 5 -9.747 17.777 -8.327 1.00 35.33 H new ATOM 0 HD2 PRO A 5 -10.478 20.144 -7.193 1.00 75.34 H new ATOM 0 HD3 PRO A 5 -11.142 18.620 -6.639 1.00 75.34 H new ATOM 63 N ARG A 6 -5.867 18.745 -5.241 1.00 14.31 N ATOM 64 CA ARG A 6 -4.590 19.448 -5.249 1.00 0.43 C ATOM 65 C ARG A 6 -3.428 18.465 -5.132 1.00 65.43 C ATOM 66 O ARG A 6 -3.409 17.614 -4.245 1.00 63.43 O ATOM 67 CB ARG A 6 -4.534 20.460 -4.103 1.00 5.11 C ATOM 68 CG ARG A 6 -3.582 21.617 -4.359 1.00 65.03 C ATOM 69 CD ARG A 6 -4.265 22.742 -5.122 1.00 63.43 C ATOM 70 NE ARG A 6 -5.323 23.371 -4.336 1.00 13.51 N ATOM 71 CZ ARG A 6 -5.094 24.166 -3.298 1.00 72.43 C ATOM 72 NH1 ARG A 6 -3.850 24.428 -2.921 1.00 74.10 N ATOM 73 NH2 ARG A 6 -6.110 24.701 -2.634 1.00 21.52 N ATOM 0 H ARG A 6 -5.798 17.747 -5.042 1.00 14.31 H new ATOM 0 HA ARG A 6 -4.501 19.978 -6.197 1.00 0.43 H new ATOM 0 HB2 ARG A 6 -5.535 20.855 -3.929 1.00 5.11 H new ATOM 0 HB3 ARG A 6 -4.231 19.947 -3.190 1.00 5.11 H new ATOM 0 HG2 ARG A 6 -3.205 21.996 -3.409 1.00 65.03 H new ATOM 0 HG3 ARG A 6 -2.721 21.262 -4.925 1.00 65.03 H new ATOM 0 HD2 ARG A 6 -3.525 23.492 -5.401 1.00 63.43 H new ATOM 0 HD3 ARG A 6 -4.685 22.349 -6.048 1.00 63.43 H new ATOM 0 HE ARG A 6 -6.292 23.189 -4.599 1.00 13.51 H new ATOM 0 HH11 ARG A 6 -3.066 24.018 -3.429 1.00 74.10 H new ATOM 0 HH12 ARG A 6 -3.677 25.039 -2.123 1.00 74.10 H new ATOM 0 HH21 ARG A 6 -7.068 24.502 -2.921 1.00 21.52 H new ATOM 0 HH22 ARG A 6 -5.933 25.312 -1.836 1.00 21.52 H new ATOM 84 N GLY A 7 -2.460 18.591 -6.035 1.00 64.42 N ATOM 85 CA GLY A 7 -1.308 17.709 -6.015 1.00 51.05 C ATOM 86 C GLY A 7 -0.591 17.661 -7.350 1.00 20.03 C ATOM 87 O GLY A 7 -1.079 18.201 -8.344 1.00 40.04 O ATOM 0 H GLY A 7 -2.453 19.288 -6.780 1.00 64.42 H new ATOM 0 HA2 GLY A 7 -0.613 18.042 -5.244 1.00 51.05 H new ATOM 0 HA3 GLY A 7 -1.629 16.704 -5.742 1.00 51.05 H new ATOM 91 N SER A 8 0.570 17.015 -7.374 1.00 3.20 N ATOM 92 CA SER A 8 1.358 16.904 -8.596 1.00 52.34 C ATOM 93 C SER A 8 1.184 15.528 -9.231 1.00 11.21 C ATOM 94 O SER A 8 1.278 15.378 -10.448 1.00 41.54 O ATOM 95 CB SER A 8 2.837 17.158 -8.299 1.00 70.14 C ATOM 96 OG SER A 8 3.621 17.038 -9.473 1.00 50.21 O ATOM 0 H SER A 8 0.986 16.560 -6.561 1.00 3.20 H new ATOM 0 HA SER A 8 1.002 17.657 -9.299 1.00 52.34 H new ATOM 0 HB2 SER A 8 2.960 18.155 -7.876 1.00 70.14 H new ATOM 0 HB3 SER A 8 3.188 16.448 -7.550 1.00 70.14 H new ATOM 0 HG SER A 8 3.902 16.106 -9.585 1.00 50.21 H new ATOM 101 N MET A 9 0.931 14.525 -8.396 1.00 34.34 N ATOM 102 CA MET A 9 0.742 13.161 -8.875 1.00 55.24 C ATOM 103 C MET A 9 -0.711 12.723 -8.713 1.00 60.22 C ATOM 104 O MET A 9 -1.314 12.924 -7.659 1.00 45.53 O ATOM 105 CB MET A 9 1.663 12.201 -8.120 1.00 1.34 C ATOM 106 CG MET A 9 2.898 12.872 -7.541 1.00 0.25 C ATOM 107 SD MET A 9 3.967 13.575 -8.812 1.00 41.03 S ATOM 108 CE MET A 9 5.523 13.670 -7.931 1.00 21.34 C ATOM 0 H MET A 9 0.852 14.632 -7.385 1.00 34.34 H new ATOM 0 HA MET A 9 0.994 13.137 -9.935 1.00 55.24 H new ATOM 0 HB2 MET A 9 1.102 11.732 -7.312 1.00 1.34 H new ATOM 0 HB3 MET A 9 1.975 11.404 -8.795 1.00 1.34 H new ATOM 0 HG2 MET A 9 2.590 13.660 -6.854 1.00 0.25 H new ATOM 0 HG3 MET A 9 3.463 12.144 -6.958 1.00 0.25 H new ATOM 0 HE1 MET A 9 6.037 14.593 -8.198 1.00 21.34 H new ATOM 0 HE2 MET A 9 5.335 13.657 -6.857 1.00 21.34 H new ATOM 0 HE3 MET A 9 6.146 12.817 -8.200 1.00 21.34 H new ATOM 116 N GLN A 10 -1.265 12.126 -9.763 1.00 70.24 N ATOM 117 CA GLN A 10 -2.647 11.661 -9.736 1.00 62.43 C ATOM 118 C GLN A 10 -2.741 10.206 -10.182 1.00 24.40 C ATOM 119 O GLN A 10 -2.017 9.775 -11.079 1.00 1.43 O ATOM 120 CB GLN A 10 -3.520 12.541 -10.632 1.00 52.30 C ATOM 121 CG GLN A 10 -3.557 13.999 -10.205 1.00 50.42 C ATOM 122 CD GLN A 10 -3.564 14.952 -11.385 1.00 73.31 C ATOM 123 OE1 GLN A 10 -2.874 14.733 -12.380 1.00 0.23 O ATOM 124 NE2 GLN A 10 -4.348 16.019 -11.278 1.00 14.41 N ATOM 0 H GLN A 10 -0.779 11.953 -10.643 1.00 70.24 H new ATOM 0 HA GLN A 10 -3.008 11.730 -8.710 1.00 62.43 H new ATOM 0 HB2 GLN A 10 -3.151 12.481 -11.656 1.00 52.30 H new ATOM 0 HB3 GLN A 10 -4.536 12.146 -10.635 1.00 52.30 H new ATOM 0 HG2 GLN A 10 -4.445 14.173 -9.597 1.00 50.42 H new ATOM 0 HG3 GLN A 10 -2.693 14.212 -9.576 1.00 50.42 H new ATOM 0 HE21 GLN A 10 -4.903 16.161 -10.434 1.00 14.41 H new ATOM 0 HE22 GLN A 10 -4.395 16.696 -12.039 1.00 14.41 H new ATOM 131 N ILE A 11 -3.636 9.455 -9.550 1.00 2.33 N ATOM 132 CA ILE A 11 -3.825 8.049 -9.883 1.00 31.24 C ATOM 133 C ILE A 11 -5.274 7.623 -9.670 1.00 42.41 C ATOM 134 O ILE A 11 -6.083 8.383 -9.139 1.00 74.52 O ATOM 135 CB ILE A 11 -2.906 7.143 -9.042 1.00 11.01 C ATOM 136 CG1 ILE A 11 -2.347 6.008 -9.903 1.00 74.12 C ATOM 137 CG2 ILE A 11 -3.663 6.586 -7.846 1.00 12.43 C ATOM 138 CD1 ILE A 11 -1.370 5.118 -9.168 1.00 70.23 C ATOM 0 H ILE A 11 -4.242 9.797 -8.804 1.00 2.33 H new ATOM 0 HA ILE A 11 -3.567 7.937 -10.936 1.00 31.24 H new ATOM 0 HB ILE A 11 -2.071 7.738 -8.673 1.00 11.01 H new ATOM 0 HG12 ILE A 11 -3.174 5.400 -10.271 1.00 74.12 H new ATOM 0 HG13 ILE A 11 -1.852 6.434 -10.776 1.00 74.12 H new ATOM 0 HG21 ILE A 11 -3.001 5.948 -7.261 1.00 12.43 H new ATOM 0 HG22 ILE A 11 -4.017 7.408 -7.224 1.00 12.43 H new ATOM 0 HG23 ILE A 11 -4.515 6.002 -8.194 1.00 12.43 H new ATOM 0 HD11 ILE A 11 -1.015 4.336 -9.839 1.00 70.23 H new ATOM 0 HD12 ILE A 11 -0.524 5.713 -8.824 1.00 70.23 H new ATOM 0 HD13 ILE A 11 -1.866 4.663 -8.311 1.00 70.23 H new ATOM 149 N PHE A 12 -5.593 6.403 -10.088 1.00 1.40 N ATOM 150 CA PHE A 12 -6.944 5.875 -9.943 1.00 54.21 C ATOM 151 C PHE A 12 -7.009 4.847 -8.816 1.00 24.02 C ATOM 152 O PHE A 12 -6.259 3.872 -8.807 1.00 41.23 O ATOM 153 CB PHE A 12 -7.410 5.240 -11.254 1.00 14.43 C ATOM 154 CG PHE A 12 -8.567 5.958 -11.891 1.00 41.43 C ATOM 155 CD1 PHE A 12 -9.857 5.772 -11.423 1.00 54.23 C ATOM 156 CD2 PHE A 12 -8.362 6.818 -12.957 1.00 71.32 C ATOM 157 CE1 PHE A 12 -10.922 6.430 -12.007 1.00 11.00 C ATOM 158 CE2 PHE A 12 -9.423 7.480 -13.545 1.00 31.35 C ATOM 159 CZ PHE A 12 -10.705 7.286 -13.069 1.00 32.12 C ATOM 0 H PHE A 12 -4.934 5.761 -10.530 1.00 1.40 H new ATOM 0 HA PHE A 12 -7.606 6.704 -9.693 1.00 54.21 H new ATOM 0 HB2 PHE A 12 -6.576 5.219 -11.955 1.00 14.43 H new ATOM 0 HB3 PHE A 12 -7.694 4.205 -11.066 1.00 14.43 H new ATOM 0 HD1 PHE A 12 -10.032 5.105 -10.592 1.00 54.23 H new ATOM 0 HD2 PHE A 12 -7.362 6.973 -13.333 1.00 71.32 H new ATOM 0 HE1 PHE A 12 -11.923 6.275 -11.633 1.00 11.00 H new ATOM 0 HE2 PHE A 12 -9.250 8.148 -14.376 1.00 31.35 H new ATOM 0 HZ PHE A 12 -11.536 7.803 -13.526 1.00 32.12 H new ATOM 168 N VAL A 13 -7.911 5.076 -7.867 1.00 41.32 N ATOM 169 CA VAL A 13 -8.074 4.171 -6.734 1.00 5.32 C ATOM 170 C VAL A 13 -9.537 3.787 -6.545 1.00 10.54 C ATOM 171 O VAL A 13 -10.428 4.632 -6.628 1.00 10.45 O ATOM 172 CB VAL A 13 -7.547 4.801 -5.432 1.00 30.11 C ATOM 173 CG1 VAL A 13 -7.692 3.828 -4.272 1.00 54.13 C ATOM 174 CG2 VAL A 13 -6.098 5.233 -5.599 1.00 74.55 C ATOM 0 H VAL A 13 -8.540 5.879 -7.860 1.00 41.32 H new ATOM 0 HA VAL A 13 -7.492 3.276 -6.956 1.00 5.32 H new ATOM 0 HB VAL A 13 -8.143 5.686 -5.209 1.00 30.11 H new ATOM 0 HG11 VAL A 13 -7.314 4.290 -3.360 1.00 54.13 H new ATOM 0 HG12 VAL A 13 -8.743 3.572 -4.141 1.00 54.13 H new ATOM 0 HG13 VAL A 13 -7.122 2.923 -4.483 1.00 54.13 H new ATOM 0 HG21 VAL A 13 -5.741 5.676 -4.669 1.00 74.55 H new ATOM 0 HG22 VAL A 13 -5.486 4.366 -5.846 1.00 74.55 H new ATOM 0 HG23 VAL A 13 -6.027 5.967 -6.402 1.00 74.55 H new ATOM 184 N LYS A 14 -9.778 2.506 -6.289 1.00 74.11 N ATOM 185 CA LYS A 14 -11.134 2.008 -6.085 1.00 10.21 C ATOM 186 C LYS A 14 -11.283 1.389 -4.699 1.00 51.31 C ATOM 187 O LYS A 14 -10.602 0.419 -4.364 1.00 62.40 O ATOM 188 CB LYS A 14 -11.486 0.975 -7.157 1.00 0.54 C ATOM 189 CG LYS A 14 -11.931 1.591 -8.473 1.00 41.10 C ATOM 190 CD LYS A 14 -13.353 2.119 -8.390 1.00 63.21 C ATOM 191 CE LYS A 14 -13.651 3.098 -9.514 1.00 4.34 C ATOM 192 NZ LYS A 14 -13.803 2.408 -10.825 1.00 1.04 N ATOM 0 H LYS A 14 -9.052 1.793 -6.218 1.00 74.11 H new ATOM 0 HA LYS A 14 -11.820 2.851 -6.163 1.00 10.21 H new ATOM 0 HB2 LYS A 14 -10.618 0.341 -7.337 1.00 0.54 H new ATOM 0 HB3 LYS A 14 -12.280 0.329 -6.781 1.00 0.54 H new ATOM 0 HG2 LYS A 14 -11.256 2.403 -8.742 1.00 41.10 H new ATOM 0 HG3 LYS A 14 -11.865 0.845 -9.265 1.00 41.10 H new ATOM 0 HD2 LYS A 14 -14.055 1.286 -8.436 1.00 63.21 H new ATOM 0 HD3 LYS A 14 -13.504 2.610 -7.429 1.00 63.21 H new ATOM 0 HE2 LYS A 14 -14.564 3.647 -9.285 1.00 4.34 H new ATOM 0 HE3 LYS A 14 -12.847 3.831 -9.580 1.00 4.34 H new ATOM 0 HZ1 LYS A 14 -14.005 3.110 -11.565 1.00 1.04 H new ATOM 0 HZ2 LYS A 14 -12.923 1.905 -11.056 1.00 1.04 H new ATOM 0 HZ3 LYS A 14 -14.587 1.727 -10.770 1.00 1.04 H new ATOM 202 N THR A 15 -12.180 1.954 -3.897 1.00 74.42 N ATOM 203 CA THR A 15 -12.419 1.457 -2.547 1.00 4.43 C ATOM 204 C THR A 15 -13.260 0.186 -2.571 1.00 73.00 C ATOM 205 O THR A 15 -13.689 -0.268 -3.632 1.00 25.02 O ATOM 206 CB THR A 15 -13.128 2.512 -1.678 1.00 31.30 C ATOM 207 OG1 THR A 15 -14.448 2.753 -2.177 1.00 41.53 O ATOM 208 CG2 THR A 15 -12.342 3.816 -1.660 1.00 53.20 C ATOM 0 H THR A 15 -12.753 2.756 -4.159 1.00 74.42 H new ATOM 0 HA THR A 15 -11.444 1.236 -2.113 1.00 4.43 H new ATOM 0 HB THR A 15 -13.190 2.128 -0.660 1.00 31.30 H new ATOM 0 HG1 THR A 15 -14.427 2.783 -3.156 1.00 41.53 H new ATOM 0 HG21 THR A 15 -12.862 4.546 -1.040 1.00 53.20 H new ATOM 0 HG22 THR A 15 -11.348 3.636 -1.251 1.00 53.20 H new ATOM 0 HG23 THR A 15 -12.253 4.201 -2.676 1.00 53.20 H new ATOM 216 N LEU A 16 -13.494 -0.384 -1.394 1.00 42.22 N ATOM 217 CA LEU A 16 -14.285 -1.605 -1.279 1.00 32.54 C ATOM 218 C LEU A 16 -15.775 -1.300 -1.398 1.00 70.43 C ATOM 219 O LEU A 16 -16.588 -2.197 -1.623 1.00 50.44 O ATOM 220 CB LEU A 16 -13.999 -2.297 0.055 1.00 52.22 C ATOM 221 CG LEU A 16 -13.985 -1.397 1.290 1.00 33.45 C ATOM 222 CD1 LEU A 16 -15.070 -1.818 2.270 1.00 62.51 C ATOM 223 CD2 LEU A 16 -12.619 -1.428 1.958 1.00 34.40 C ATOM 0 H LEU A 16 -13.148 -0.021 -0.506 1.00 42.22 H new ATOM 0 HA LEU A 16 -14.003 -2.271 -2.094 1.00 32.54 H new ATOM 0 HB2 LEU A 16 -14.748 -3.075 0.206 1.00 52.22 H new ATOM 0 HB3 LEU A 16 -13.032 -2.795 -0.017 1.00 52.22 H new ATOM 0 HG LEU A 16 -14.188 -0.374 0.972 1.00 33.45 H new ATOM 0 HD11 LEU A 16 -15.045 -1.166 3.143 1.00 62.51 H new ATOM 0 HD12 LEU A 16 -16.045 -1.742 1.788 1.00 62.51 H new ATOM 0 HD13 LEU A 16 -14.899 -2.848 2.582 1.00 62.51 H new ATOM 0 HD21 LEU A 16 -12.628 -0.781 2.835 1.00 34.40 H new ATOM 0 HD22 LEU A 16 -12.386 -2.448 2.262 1.00 34.40 H new ATOM 0 HD23 LEU A 16 -11.863 -1.077 1.256 1.00 34.40 H new ATOM 234 N THR A 17 -16.127 -0.027 -1.247 1.00 35.30 N ATOM 235 CA THR A 17 -17.520 0.396 -1.338 1.00 63.15 C ATOM 236 C THR A 17 -17.836 0.946 -2.723 1.00 22.44 C ATOM 237 O THR A 17 -18.961 0.826 -3.208 1.00 31.31 O ATOM 238 CB THR A 17 -17.850 1.469 -0.283 1.00 20.33 C ATOM 239 OG1 THR A 17 -19.270 1.627 -0.175 1.00 63.42 O ATOM 240 CG2 THR A 17 -17.212 2.801 -0.648 1.00 34.24 C ATOM 0 H THR A 17 -15.468 0.729 -1.061 1.00 35.30 H new ATOM 0 HA THR A 17 -18.133 -0.486 -1.152 1.00 63.15 H new ATOM 0 HB THR A 17 -17.447 1.143 0.676 1.00 20.33 H new ATOM 0 HG1 THR A 17 -19.473 2.309 0.498 1.00 63.42 H new ATOM 0 HG21 THR A 17 -17.459 3.543 0.111 1.00 34.24 H new ATOM 0 HG22 THR A 17 -16.130 2.683 -0.702 1.00 34.24 H new ATOM 0 HG23 THR A 17 -17.590 3.132 -1.615 1.00 34.24 H new ATOM 248 N GLY A 18 -16.836 1.552 -3.358 1.00 15.32 N ATOM 249 CA GLY A 18 -17.030 2.112 -4.683 1.00 12.44 C ATOM 250 C GLY A 18 -16.528 3.538 -4.788 1.00 42.52 C ATOM 251 O GLY A 18 -16.483 4.110 -5.878 1.00 70.31 O ATOM 0 H GLY A 18 -15.896 1.665 -2.978 1.00 15.32 H new ATOM 0 HA2 GLY A 18 -16.512 1.493 -5.415 1.00 12.44 H new ATOM 0 HA3 GLY A 18 -18.090 2.084 -4.935 1.00 12.44 H new ATOM 255 N LYS A 19 -16.149 4.116 -3.654 1.00 71.52 N ATOM 256 CA LYS A 19 -15.648 5.484 -3.622 1.00 23.41 C ATOM 257 C LYS A 19 -14.350 5.607 -4.414 1.00 64.55 C ATOM 258 O LYS A 19 -13.574 4.656 -4.505 1.00 14.01 O ATOM 259 CB LYS A 19 -15.420 5.932 -2.176 1.00 20.11 C ATOM 260 CG LYS A 19 -15.854 7.363 -1.907 1.00 31.41 C ATOM 261 CD LYS A 19 -17.280 7.424 -1.385 1.00 60.33 C ATOM 262 CE LYS A 19 -18.293 7.302 -2.514 1.00 63.45 C ATOM 263 NZ LYS A 19 -18.157 8.407 -3.502 1.00 44.24 N ATOM 0 H LYS A 19 -16.179 3.657 -2.743 1.00 71.52 H new ATOM 0 HA LYS A 19 -16.396 6.129 -4.082 1.00 23.41 H new ATOM 0 HB2 LYS A 19 -15.964 5.264 -1.508 1.00 20.11 H new ATOM 0 HB3 LYS A 19 -14.362 5.831 -1.936 1.00 20.11 H new ATOM 0 HG2 LYS A 19 -15.180 7.818 -1.181 1.00 31.41 H new ATOM 0 HG3 LYS A 19 -15.776 7.946 -2.824 1.00 31.41 H new ATOM 0 HD2 LYS A 19 -17.439 6.622 -0.664 1.00 60.33 H new ATOM 0 HD3 LYS A 19 -17.435 8.364 -0.856 1.00 60.33 H new ATOM 0 HE2 LYS A 19 -18.161 6.345 -3.019 1.00 63.45 H new ATOM 0 HE3 LYS A 19 -19.301 7.307 -2.100 1.00 63.45 H new ATOM 0 HZ1 LYS A 19 -19.060 8.540 -4.001 1.00 44.24 H new ATOM 0 HZ2 LYS A 19 -17.902 9.286 -3.007 1.00 44.24 H new ATOM 0 HZ3 LYS A 19 -17.414 8.169 -4.189 1.00 44.24 H new ATOM 273 N THR A 20 -14.118 6.787 -4.982 1.00 53.41 N ATOM 274 CA THR A 20 -12.914 7.033 -5.766 1.00 51.10 C ATOM 275 C THR A 20 -12.088 8.164 -5.163 1.00 54.10 C ATOM 276 O THR A 20 -12.593 9.265 -4.942 1.00 74.20 O ATOM 277 CB THR A 20 -13.256 7.385 -7.225 1.00 15.35 C ATOM 278 OG1 THR A 20 -14.603 7.862 -7.312 1.00 15.54 O ATOM 279 CG2 THR A 20 -13.082 6.175 -8.130 1.00 53.33 C ATOM 0 H THR A 20 -14.748 7.586 -4.914 1.00 53.41 H new ATOM 0 HA THR A 20 -12.332 6.112 -5.749 1.00 51.10 H new ATOM 0 HB THR A 20 -12.572 8.167 -7.555 1.00 15.35 H new ATOM 0 HG1 THR A 20 -14.811 8.085 -8.243 1.00 15.54 H new ATOM 0 HG21 THR A 20 -13.330 6.449 -9.156 1.00 53.33 H new ATOM 0 HG22 THR A 20 -12.048 5.833 -8.085 1.00 53.33 H new ATOM 0 HG23 THR A 20 -13.744 5.375 -7.799 1.00 53.33 H new ATOM 287 N ILE A 21 -10.817 7.885 -4.899 1.00 45.01 N ATOM 288 CA ILE A 21 -9.920 8.880 -4.322 1.00 51.10 C ATOM 289 C ILE A 21 -8.593 8.924 -5.071 1.00 2.31 C ATOM 290 O ILE A 21 -8.043 7.887 -5.445 1.00 51.41 O ATOM 291 CB ILE A 21 -9.648 8.597 -2.833 1.00 3.21 C ATOM 292 CG1 ILE A 21 -9.212 7.143 -2.640 1.00 54.00 C ATOM 293 CG2 ILE A 21 -10.885 8.901 -2.001 1.00 43.11 C ATOM 294 CD1 ILE A 21 -10.369 6.180 -2.493 1.00 35.45 C ATOM 0 H ILE A 21 -10.384 6.978 -5.075 1.00 45.01 H new ATOM 0 HA ILE A 21 -10.418 9.845 -4.414 1.00 51.10 H new ATOM 0 HB ILE A 21 -8.840 9.247 -2.496 1.00 3.21 H new ATOM 0 HG12 ILE A 21 -8.603 6.839 -3.491 1.00 54.00 H new ATOM 0 HG13 ILE A 21 -8.579 7.076 -1.755 1.00 54.00 H new ATOM 0 HG21 ILE A 21 -10.677 8.696 -0.951 1.00 43.11 H new ATOM 0 HG22 ILE A 21 -11.154 9.951 -2.119 1.00 43.11 H new ATOM 0 HG23 ILE A 21 -11.712 8.275 -2.336 1.00 43.11 H new ATOM 0 HD11 ILE A 21 -9.986 5.168 -2.360 1.00 35.45 H new ATOM 0 HD12 ILE A 21 -10.966 6.459 -1.625 1.00 35.45 H new ATOM 0 HD13 ILE A 21 -10.990 6.218 -3.388 1.00 35.45 H new ATOM 305 N THR A 22 -8.081 10.131 -5.287 1.00 61.41 N ATOM 306 CA THR A 22 -6.817 10.311 -5.991 1.00 62.52 C ATOM 307 C THR A 22 -5.634 9.967 -5.093 1.00 12.12 C ATOM 308 O THR A 22 -5.619 10.309 -3.910 1.00 30.44 O ATOM 309 CB THR A 22 -6.658 11.756 -6.499 1.00 60.30 C ATOM 310 OG1 THR A 22 -7.938 12.394 -6.572 1.00 42.14 O ATOM 311 CG2 THR A 22 -5.996 11.778 -7.869 1.00 33.12 C ATOM 0 H THR A 22 -8.522 10.999 -4.984 1.00 61.41 H new ATOM 0 HA THR A 22 -6.831 9.633 -6.845 1.00 62.52 H new ATOM 0 HB THR A 22 -6.023 12.296 -5.797 1.00 60.30 H new ATOM 0 HG1 THR A 22 -7.828 13.313 -6.894 1.00 42.14 H new ATOM 0 HG21 THR A 22 -5.894 12.809 -8.207 1.00 33.12 H new ATOM 0 HG22 THR A 22 -5.010 11.318 -7.804 1.00 33.12 H new ATOM 0 HG23 THR A 22 -6.609 11.222 -8.578 1.00 33.12 H new ATOM 319 N LEU A 23 -4.643 9.289 -5.662 1.00 51.11 N ATOM 320 CA LEU A 23 -3.453 8.899 -4.912 1.00 34.32 C ATOM 321 C LEU A 23 -2.190 9.430 -5.581 1.00 3.41 C ATOM 322 O LEU A 23 -2.190 9.736 -6.773 1.00 62.21 O ATOM 323 CB LEU A 23 -3.379 7.376 -4.791 1.00 15.23 C ATOM 324 CG LEU A 23 -3.484 6.809 -3.375 1.00 51.23 C ATOM 325 CD1 LEU A 23 -2.412 7.411 -2.480 1.00 41.25 C ATOM 326 CD2 LEU A 23 -4.869 7.065 -2.799 1.00 62.34 C ATOM 0 H LEU A 23 -4.640 8.998 -6.640 1.00 51.11 H new ATOM 0 HA LEU A 23 -3.523 9.333 -3.915 1.00 34.32 H new ATOM 0 HB2 LEU A 23 -4.178 6.945 -5.394 1.00 15.23 H new ATOM 0 HB3 LEU A 23 -2.437 7.042 -5.225 1.00 15.23 H new ATOM 0 HG LEU A 23 -3.327 5.731 -3.422 1.00 51.23 H new ATOM 0 HD11 LEU A 23 -2.501 6.996 -1.476 1.00 41.25 H new ATOM 0 HD12 LEU A 23 -1.427 7.176 -2.883 1.00 41.25 H new ATOM 0 HD13 LEU A 23 -2.538 8.493 -2.438 1.00 41.25 H new ATOM 0 HD21 LEU A 23 -4.925 6.655 -1.791 1.00 62.34 H new ATOM 0 HD22 LEU A 23 -5.056 8.138 -2.765 1.00 62.34 H new ATOM 0 HD23 LEU A 23 -5.619 6.586 -3.428 1.00 62.34 H new ATOM 337 N GLU A 24 -1.115 9.533 -4.807 1.00 75.32 N ATOM 338 CA GLU A 24 0.155 10.025 -5.326 1.00 45.31 C ATOM 339 C GLU A 24 1.103 8.869 -5.632 1.00 10.22 C ATOM 340 O GLU A 24 1.058 7.825 -4.980 1.00 44.32 O ATOM 341 CB GLU A 24 0.806 10.980 -4.322 1.00 4.44 C ATOM 342 CG GLU A 24 2.321 11.036 -4.431 1.00 41.13 C ATOM 343 CD GLU A 24 2.928 12.119 -3.560 1.00 74.22 C ATOM 344 OE1 GLU A 24 2.951 11.942 -2.323 1.00 4.15 O ATOM 345 OE2 GLU A 24 3.380 13.143 -4.114 1.00 60.04 O ATOM 0 H GLU A 24 -1.098 9.282 -3.818 1.00 75.32 H new ATOM 0 HA GLU A 24 -0.045 10.563 -6.253 1.00 45.31 H new ATOM 0 HB2 GLU A 24 0.402 11.981 -4.471 1.00 4.44 H new ATOM 0 HB3 GLU A 24 0.534 10.673 -3.312 1.00 4.44 H new ATOM 0 HG2 GLU A 24 2.738 10.070 -4.147 1.00 41.13 H new ATOM 0 HG3 GLU A 24 2.601 11.211 -5.470 1.00 41.13 H new ATOM 350 N VAL A 25 1.960 9.062 -6.630 1.00 53.42 N ATOM 351 CA VAL A 25 2.918 8.036 -7.023 1.00 63.02 C ATOM 352 C VAL A 25 4.332 8.603 -7.096 1.00 2.12 C ATOM 353 O VAL A 25 4.522 9.783 -7.389 1.00 62.03 O ATOM 354 CB VAL A 25 2.554 7.421 -8.387 1.00 53.44 C ATOM 355 CG1 VAL A 25 1.094 6.991 -8.406 1.00 45.21 C ATOM 356 CG2 VAL A 25 2.843 8.404 -9.510 1.00 23.24 C ATOM 0 H VAL A 25 2.010 9.919 -7.181 1.00 53.42 H new ATOM 0 HA VAL A 25 2.879 7.259 -6.260 1.00 63.02 H new ATOM 0 HB VAL A 25 3.171 6.536 -8.543 1.00 53.44 H new ATOM 0 HG11 VAL A 25 0.855 6.559 -9.378 1.00 45.21 H new ATOM 0 HG12 VAL A 25 0.923 6.249 -7.626 1.00 45.21 H new ATOM 0 HG13 VAL A 25 0.457 7.857 -8.228 1.00 45.21 H new ATOM 0 HG21 VAL A 25 2.580 7.952 -10.466 1.00 23.24 H new ATOM 0 HG22 VAL A 25 2.254 9.309 -9.362 1.00 23.24 H new ATOM 0 HG23 VAL A 25 3.903 8.657 -9.508 1.00 23.24 H new ATOM 366 N GLU A 26 5.319 7.754 -6.827 1.00 4.04 N ATOM 367 CA GLU A 26 6.715 8.173 -6.863 1.00 71.35 C ATOM 368 C GLU A 26 7.640 7.010 -6.513 1.00 4.51 C ATOM 369 O GLU A 26 7.450 6.309 -5.519 1.00 32.24 O ATOM 370 CB GLU A 26 6.948 9.333 -5.892 1.00 3.31 C ATOM 371 CG GLU A 26 7.187 10.665 -6.583 1.00 2.01 C ATOM 372 CD GLU A 26 6.746 11.847 -5.741 1.00 51.44 C ATOM 373 OE1 GLU A 26 5.594 11.832 -5.257 1.00 14.51 O ATOM 374 OE2 GLU A 26 7.551 12.784 -5.565 1.00 71.11 O ATOM 0 H GLU A 26 5.178 6.774 -6.582 1.00 4.04 H new ATOM 0 HA GLU A 26 6.942 8.505 -7.876 1.00 71.35 H new ATOM 0 HB2 GLU A 26 6.084 9.424 -5.234 1.00 3.31 H new ATOM 0 HB3 GLU A 26 7.806 9.101 -5.261 1.00 3.31 H new ATOM 0 HG2 GLU A 26 8.247 10.765 -6.815 1.00 2.01 H new ATOM 0 HG3 GLU A 26 6.650 10.679 -7.532 1.00 2.01 H new ATOM 379 N PRO A 27 8.666 6.798 -7.351 1.00 30.41 N ATOM 380 CA PRO A 27 9.642 5.722 -7.152 1.00 35.23 C ATOM 381 C PRO A 27 10.546 5.974 -5.951 1.00 52.33 C ATOM 382 O PRO A 27 11.076 5.037 -5.354 1.00 74.35 O ATOM 383 CB PRO A 27 10.456 5.738 -8.448 1.00 70.12 C ATOM 384 CG PRO A 27 10.326 7.131 -8.960 1.00 45.30 C ATOM 385 CD PRO A 27 8.954 7.594 -8.555 1.00 1.23 C ATOM 0 HA PRO A 27 9.159 4.766 -6.948 1.00 35.23 H new ATOM 0 HB2 PRO A 27 11.499 5.480 -8.264 1.00 70.12 H new ATOM 0 HB3 PRO A 27 10.071 5.015 -9.166 1.00 70.12 H new ATOM 0 HG2 PRO A 27 11.096 7.776 -8.537 1.00 45.30 H new ATOM 0 HG3 PRO A 27 10.444 7.161 -10.043 1.00 45.30 H new ATOM 0 HD2 PRO A 27 8.937 8.663 -8.343 1.00 1.23 H new ATOM 0 HD3 PRO A 27 8.221 7.413 -9.341 1.00 1.23 H new ATOM 390 N SER A 28 10.719 7.245 -5.602 1.00 45.40 N ATOM 391 CA SER A 28 11.563 7.620 -4.473 1.00 12.23 C ATOM 392 C SER A 28 10.717 7.940 -3.245 1.00 33.03 C ATOM 393 O SER A 28 11.237 8.077 -2.137 1.00 51.44 O ATOM 394 CB SER A 28 12.431 8.825 -4.837 1.00 22.22 C ATOM 395 OG SER A 28 11.638 9.901 -5.311 1.00 52.23 O ATOM 0 H SER A 28 10.286 8.032 -6.085 1.00 45.40 H new ATOM 0 HA SER A 28 12.209 6.774 -4.237 1.00 12.23 H new ATOM 0 HB2 SER A 28 12.999 9.145 -3.963 1.00 22.22 H new ATOM 0 HB3 SER A 28 13.155 8.539 -5.600 1.00 22.22 H new ATOM 0 HG SER A 28 12.216 10.660 -5.535 1.00 52.23 H new ATOM 400 N ASP A 29 9.409 8.059 -3.450 1.00 42.11 N ATOM 401 CA ASP A 29 8.490 8.361 -2.360 1.00 34.13 C ATOM 402 C ASP A 29 7.649 7.139 -2.002 1.00 5.11 C ATOM 403 O ASP A 29 6.895 6.627 -2.831 1.00 72.43 O ATOM 404 CB ASP A 29 7.578 9.529 -2.743 1.00 71.02 C ATOM 405 CG ASP A 29 7.339 10.480 -1.587 1.00 11.41 C ATOM 406 OD1 ASP A 29 7.767 10.162 -0.458 1.00 12.41 O ATOM 407 OD2 ASP A 29 6.724 11.543 -1.812 1.00 25.32 O ATOM 0 H ASP A 29 8.963 7.951 -4.361 1.00 42.11 H new ATOM 0 HA ASP A 29 9.080 8.641 -1.487 1.00 34.13 H new ATOM 0 HB2 ASP A 29 8.023 10.076 -3.574 1.00 71.02 H new ATOM 0 HB3 ASP A 29 6.622 9.140 -3.093 1.00 71.02 H new ATOM 411 N THR A 30 7.785 6.676 -0.764 1.00 35.21 N ATOM 412 CA THR A 30 7.039 5.513 -0.297 1.00 45.30 C ATOM 413 C THR A 30 5.644 5.906 0.173 1.00 63.32 C ATOM 414 O THR A 30 5.323 7.091 0.270 1.00 32.43 O ATOM 415 CB THR A 30 7.775 4.801 0.854 1.00 43.44 C ATOM 416 OG1 THR A 30 7.054 3.626 1.242 1.00 40.33 O ATOM 417 CG2 THR A 30 7.930 5.724 2.052 1.00 62.30 C ATOM 0 H THR A 30 8.405 7.088 -0.066 1.00 35.21 H new ATOM 0 HA THR A 30 6.954 4.831 -1.143 1.00 45.30 H new ATOM 0 HB THR A 30 8.768 4.520 0.502 1.00 43.44 H new ATOM 0 HG1 THR A 30 6.469 3.837 1.999 1.00 40.33 H new ATOM 0 HG21 THR A 30 8.453 5.198 2.851 1.00 62.30 H new ATOM 0 HG22 THR A 30 8.503 6.604 1.761 1.00 62.30 H new ATOM 0 HG23 THR A 30 6.945 6.032 2.404 1.00 62.30 H new ATOM 425 N ILE A 31 4.819 4.907 0.465 1.00 43.25 N ATOM 426 CA ILE A 31 3.459 5.149 0.927 1.00 53.10 C ATOM 427 C ILE A 31 3.447 6.066 2.145 1.00 22.33 C ATOM 428 O ILE A 31 2.463 6.757 2.404 1.00 32.25 O ATOM 429 CB ILE A 31 2.742 3.833 1.282 1.00 73.35 C ATOM 430 CG1 ILE A 31 2.365 3.072 0.009 1.00 20.11 C ATOM 431 CG2 ILE A 31 1.505 4.114 2.123 1.00 61.21 C ATOM 432 CD1 ILE A 31 3.528 2.339 -0.623 1.00 72.42 C ATOM 0 H ILE A 31 5.069 3.921 0.390 1.00 43.25 H new ATOM 0 HA ILE A 31 2.929 5.632 0.106 1.00 53.10 H new ATOM 0 HB ILE A 31 3.422 3.212 1.866 1.00 73.35 H new ATOM 0 HG12 ILE A 31 1.578 2.355 0.243 1.00 20.11 H new ATOM 0 HG13 ILE A 31 1.951 3.774 -0.715 1.00 20.11 H new ATOM 0 HG21 ILE A 31 1.009 3.174 2.366 1.00 61.21 H new ATOM 0 HG22 ILE A 31 1.798 4.618 3.044 1.00 61.21 H new ATOM 0 HG23 ILE A 31 0.821 4.751 1.562 1.00 61.21 H new ATOM 0 HD11 ILE A 31 3.188 1.822 -1.520 1.00 72.42 H new ATOM 0 HD12 ILE A 31 4.307 3.053 -0.889 1.00 72.42 H new ATOM 0 HD13 ILE A 31 3.928 1.613 0.084 1.00 72.42 H new ATOM 443 N GLU A 32 4.549 6.067 2.889 1.00 2.31 N ATOM 444 CA GLU A 32 4.665 6.901 4.080 1.00 40.45 C ATOM 445 C GLU A 32 4.287 8.346 3.771 1.00 4.14 C ATOM 446 O GLU A 32 3.422 8.926 4.425 1.00 75.02 O ATOM 447 CB GLU A 32 6.090 6.841 4.633 1.00 31.11 C ATOM 448 CG GLU A 32 6.557 5.434 4.965 1.00 33.31 C ATOM 449 CD GLU A 32 6.167 5.005 6.366 1.00 32.13 C ATOM 450 OE1 GLU A 32 6.605 5.664 7.332 1.00 54.34 O ATOM 451 OE2 GLU A 32 5.422 4.010 6.496 1.00 22.20 O ATOM 0 H GLU A 32 5.373 5.500 2.688 1.00 2.31 H new ATOM 0 HA GLU A 32 3.975 6.517 4.831 1.00 40.45 H new ATOM 0 HB2 GLU A 32 6.772 7.278 3.904 1.00 31.11 H new ATOM 0 HB3 GLU A 32 6.148 7.455 5.532 1.00 31.11 H new ATOM 0 HG2 GLU A 32 6.133 4.735 4.244 1.00 33.31 H new ATOM 0 HG3 GLU A 32 7.641 5.381 4.861 1.00 33.31 H new ATOM 456 N ASN A 33 4.944 8.923 2.769 1.00 50.42 N ATOM 457 CA ASN A 33 4.679 10.301 2.374 1.00 4.44 C ATOM 458 C ASN A 33 3.414 10.390 1.525 1.00 40.42 C ATOM 459 O ASN A 33 2.613 11.312 1.678 1.00 63.55 O ATOM 460 CB ASN A 33 5.869 10.868 1.597 1.00 30.15 C ATOM 461 CG ASN A 33 5.977 12.375 1.725 1.00 2.22 C ATOM 462 OD1 ASN A 33 5.007 13.100 1.499 1.00 52.44 O ATOM 463 ND2 ASN A 33 7.161 12.855 2.086 1.00 73.13 N ATOM 0 H ASN A 33 5.664 8.457 2.216 1.00 50.42 H new ATOM 0 HA ASN A 33 4.530 10.890 3.279 1.00 4.44 H new ATOM 0 HB2 ASN A 33 6.788 10.408 1.959 1.00 30.15 H new ATOM 0 HB3 ASN A 33 5.773 10.601 0.545 1.00 30.15 H new ATOM 0 HD21 ASN A 33 7.294 13.861 2.186 1.00 73.13 H new ATOM 0 HD22 ASN A 33 7.937 12.217 2.263 1.00 73.13 H new ATOM 469 N VAL A 34 3.240 9.423 0.629 1.00 63.23 N ATOM 470 CA VAL A 34 2.073 9.390 -0.244 1.00 72.21 C ATOM 471 C VAL A 34 0.781 9.441 0.566 1.00 2.15 C ATOM 472 O VAL A 34 -0.221 10.002 0.121 1.00 71.04 O ATOM 473 CB VAL A 34 2.064 8.125 -1.123 1.00 62.23 C ATOM 474 CG1 VAL A 34 0.912 8.172 -2.114 1.00 14.31 C ATOM 475 CG2 VAL A 34 3.395 7.971 -1.846 1.00 72.40 C ATOM 0 H VAL A 34 3.893 8.652 0.489 1.00 63.23 H new ATOM 0 HA VAL A 34 2.133 10.269 -0.886 1.00 72.21 H new ATOM 0 HB VAL A 34 1.923 7.256 -0.480 1.00 62.23 H new ATOM 0 HG11 VAL A 34 0.922 7.270 -2.726 1.00 14.31 H new ATOM 0 HG12 VAL A 34 -0.032 8.233 -1.572 1.00 14.31 H new ATOM 0 HG13 VAL A 34 1.019 9.047 -2.755 1.00 14.31 H new ATOM 0 HG21 VAL A 34 3.372 7.073 -2.463 1.00 72.40 H new ATOM 0 HG22 VAL A 34 3.568 8.841 -2.479 1.00 72.40 H new ATOM 0 HG23 VAL A 34 4.199 7.889 -1.115 1.00 72.40 H new ATOM 485 N LYS A 35 0.812 8.852 1.756 1.00 21.04 N ATOM 486 CA LYS A 35 -0.355 8.831 2.629 1.00 34.42 C ATOM 487 C LYS A 35 -0.931 10.233 2.803 1.00 23.12 C ATOM 488 O LYS A 35 -2.125 10.399 3.049 1.00 30.42 O ATOM 489 CB LYS A 35 0.014 8.247 3.995 1.00 64.41 C ATOM 490 CG LYS A 35 0.636 9.260 4.941 1.00 12.12 C ATOM 491 CD LYS A 35 -0.414 9.918 5.822 1.00 65.14 C ATOM 492 CE LYS A 35 0.144 10.249 7.198 1.00 35.42 C ATOM 493 NZ LYS A 35 -0.388 11.541 7.715 1.00 2.42 N ATOM 0 H LYS A 35 1.633 8.383 2.138 1.00 21.04 H new ATOM 0 HA LYS A 35 -1.113 8.201 2.164 1.00 34.42 H new ATOM 0 HB2 LYS A 35 -0.882 7.832 4.458 1.00 64.41 H new ATOM 0 HB3 LYS A 35 0.710 7.421 3.852 1.00 64.41 H new ATOM 0 HG2 LYS A 35 1.380 8.766 5.567 1.00 12.12 H new ATOM 0 HG3 LYS A 35 1.160 10.023 4.365 1.00 12.12 H new ATOM 0 HD2 LYS A 35 -0.773 10.830 5.344 1.00 65.14 H new ATOM 0 HD3 LYS A 35 -1.272 9.254 5.926 1.00 65.14 H new ATOM 0 HE2 LYS A 35 -0.106 9.448 7.894 1.00 35.42 H new ATOM 0 HE3 LYS A 35 1.232 10.298 7.147 1.00 35.42 H new ATOM 0 HZ1 LYS A 35 0.395 12.114 8.088 1.00 2.42 H new ATOM 0 HZ2 LYS A 35 -0.858 12.057 6.944 1.00 2.42 H new ATOM 0 HZ3 LYS A 35 -1.074 11.355 8.475 1.00 2.42 H new ATOM 503 N ALA A 36 -0.072 11.240 2.673 1.00 31.14 N ATOM 504 CA ALA A 36 -0.497 12.628 2.811 1.00 64.02 C ATOM 505 C ALA A 36 -1.482 13.013 1.714 1.00 34.55 C ATOM 506 O ALA A 36 -2.527 13.608 1.984 1.00 51.35 O ATOM 507 CB ALA A 36 0.711 13.553 2.787 1.00 24.55 C ATOM 0 H ALA A 36 0.921 11.120 2.473 1.00 31.14 H new ATOM 0 HA ALA A 36 -1.004 12.734 3.770 1.00 64.02 H new ATOM 0 HB1 ALA A 36 0.380 14.586 2.891 1.00 24.55 H new ATOM 0 HB2 ALA A 36 1.379 13.301 3.611 1.00 24.55 H new ATOM 0 HB3 ALA A 36 1.241 13.435 1.842 1.00 24.55 H new ATOM 513 N LYS A 37 -1.146 12.672 0.475 1.00 24.22 N ATOM 514 CA LYS A 37 -2.001 12.982 -0.664 1.00 15.30 C ATOM 515 C LYS A 37 -3.385 12.363 -0.489 1.00 40.22 C ATOM 516 O LYS A 37 -4.402 13.044 -0.627 1.00 52.54 O ATOM 517 CB LYS A 37 -1.365 12.474 -1.960 1.00 62.23 C ATOM 518 CG LYS A 37 -0.879 13.586 -2.874 1.00 3.51 C ATOM 519 CD LYS A 37 0.569 13.950 -2.589 1.00 34.11 C ATOM 520 CE LYS A 37 0.672 15.254 -1.813 1.00 33.03 C ATOM 521 NZ LYS A 37 0.238 16.422 -2.630 1.00 64.24 N ATOM 0 H LYS A 37 -0.286 12.180 0.234 1.00 24.22 H new ATOM 0 HA LYS A 37 -2.110 14.065 -0.720 1.00 15.30 H new ATOM 0 HB2 LYS A 37 -0.525 11.825 -1.713 1.00 62.23 H new ATOM 0 HB3 LYS A 37 -2.092 11.865 -2.497 1.00 62.23 H new ATOM 0 HG2 LYS A 37 -0.979 13.273 -3.913 1.00 3.51 H new ATOM 0 HG3 LYS A 37 -1.509 14.466 -2.744 1.00 3.51 H new ATOM 0 HD2 LYS A 37 1.042 13.149 -2.021 1.00 34.11 H new ATOM 0 HD3 LYS A 37 1.115 14.040 -3.528 1.00 34.11 H new ATOM 0 HE2 LYS A 37 0.058 15.191 -0.914 1.00 33.03 H new ATOM 0 HE3 LYS A 37 1.701 15.402 -1.486 1.00 33.03 H new ATOM 0 HZ1 LYS A 37 0.668 17.290 -2.251 1.00 64.24 H new ATOM 0 HZ2 LYS A 37 0.541 16.288 -3.616 1.00 64.24 H new ATOM 0 HZ3 LYS A 37 -0.798 16.505 -2.595 1.00 64.24 H new ATOM 531 N ILE A 38 -3.415 11.070 -0.183 1.00 45.21 N ATOM 532 CA ILE A 38 -4.674 10.361 0.013 1.00 43.32 C ATOM 533 C ILE A 38 -5.372 10.823 1.287 1.00 1.23 C ATOM 534 O ILE A 38 -6.600 10.817 1.369 1.00 32.43 O ATOM 535 CB ILE A 38 -4.456 8.837 0.084 1.00 1.25 C ATOM 536 CG1 ILE A 38 -5.784 8.123 0.343 1.00 54.33 C ATOM 537 CG2 ILE A 38 -3.444 8.497 1.167 1.00 70.03 C ATOM 538 CD1 ILE A 38 -6.022 7.802 1.802 1.00 33.01 C ATOM 0 H ILE A 38 -2.583 10.492 -0.066 1.00 45.21 H new ATOM 0 HA ILE A 38 -5.303 10.591 -0.847 1.00 43.32 H new ATOM 0 HB ILE A 38 -4.062 8.495 -0.873 1.00 1.25 H new ATOM 0 HG12 ILE A 38 -6.600 8.747 -0.021 1.00 54.33 H new ATOM 0 HG13 ILE A 38 -5.808 7.198 -0.233 1.00 54.33 H new ATOM 0 HG21 ILE A 38 -3.301 7.417 1.205 1.00 70.03 H new ATOM 0 HG22 ILE A 38 -2.494 8.981 0.942 1.00 70.03 H new ATOM 0 HG23 ILE A 38 -3.811 8.848 2.131 1.00 70.03 H new ATOM 0 HD11 ILE A 38 -6.982 7.297 1.912 1.00 33.01 H new ATOM 0 HD12 ILE A 38 -5.226 7.152 2.166 1.00 33.01 H new ATOM 0 HD13 ILE A 38 -6.030 8.725 2.381 1.00 33.01 H new ATOM 549 N GLN A 39 -4.581 11.225 2.277 1.00 5.34 N ATOM 550 CA GLN A 39 -5.125 11.693 3.546 1.00 62.23 C ATOM 551 C GLN A 39 -6.064 12.875 3.334 1.00 34.21 C ATOM 552 O GLN A 39 -7.014 13.070 4.093 1.00 44.14 O ATOM 553 CB GLN A 39 -3.991 12.090 4.494 1.00 15.12 C ATOM 554 CG GLN A 39 -3.690 11.043 5.555 1.00 14.14 C ATOM 555 CD GLN A 39 -3.284 11.655 6.881 1.00 42.51 C ATOM 556 OE1 GLN A 39 -2.890 12.820 6.945 1.00 5.13 O ATOM 557 NE2 GLN A 39 -3.377 10.871 7.948 1.00 64.45 N ATOM 0 H GLN A 39 -3.562 11.236 2.225 1.00 5.34 H new ATOM 0 HA GLN A 39 -5.694 10.877 3.992 1.00 62.23 H new ATOM 0 HB2 GLN A 39 -3.089 12.274 3.911 1.00 15.12 H new ATOM 0 HB3 GLN A 39 -4.250 13.028 4.985 1.00 15.12 H new ATOM 0 HG2 GLN A 39 -4.570 10.417 5.702 1.00 14.14 H new ATOM 0 HG3 GLN A 39 -2.891 10.391 5.200 1.00 14.14 H new ATOM 0 HE21 GLN A 39 -3.709 9.912 7.849 1.00 64.45 H new ATOM 0 HE22 GLN A 39 -3.117 11.228 8.867 1.00 64.45 H new ATOM 564 N ASP A 40 -5.792 13.662 2.299 1.00 34.02 N ATOM 565 CA ASP A 40 -6.614 14.825 1.986 1.00 33.30 C ATOM 566 C ASP A 40 -7.929 14.403 1.336 1.00 63.21 C ATOM 567 O ASP A 40 -8.930 15.115 1.418 1.00 55.30 O ATOM 568 CB ASP A 40 -5.856 15.778 1.061 1.00 14.20 C ATOM 569 CG ASP A 40 -6.621 17.060 0.796 1.00 61.43 C ATOM 570 OD1 ASP A 40 -7.678 16.995 0.136 1.00 34.55 O ATOM 571 OD2 ASP A 40 -6.162 18.128 1.252 1.00 21.52 O ATOM 0 H ASP A 40 -5.009 13.516 1.662 1.00 34.02 H new ATOM 0 HA ASP A 40 -6.840 15.341 2.919 1.00 33.30 H new ATOM 0 HB2 ASP A 40 -4.891 16.020 1.506 1.00 14.20 H new ATOM 0 HB3 ASP A 40 -5.654 15.277 0.114 1.00 14.20 H new ATOM 575 N LYS A 41 -7.918 13.242 0.691 1.00 1.22 N ATOM 576 CA LYS A 41 -9.108 12.724 0.026 1.00 32.12 C ATOM 577 C LYS A 41 -10.092 12.153 1.042 1.00 61.31 C ATOM 578 O LYS A 41 -11.256 12.549 1.082 1.00 33.53 O ATOM 579 CB LYS A 41 -8.722 11.646 -0.989 1.00 22.20 C ATOM 580 CG LYS A 41 -8.452 12.191 -2.381 1.00 14.11 C ATOM 581 CD LYS A 41 -6.975 12.475 -2.592 1.00 31.32 C ATOM 582 CE LYS A 41 -6.632 13.918 -2.254 1.00 3.25 C ATOM 583 NZ LYS A 41 -5.376 14.360 -2.922 1.00 22.13 N ATOM 0 H LYS A 41 -7.097 12.641 0.614 1.00 1.22 H new ATOM 0 HA LYS A 41 -9.591 13.549 -0.497 1.00 32.12 H new ATOM 0 HB2 LYS A 41 -7.833 11.125 -0.633 1.00 22.20 H new ATOM 0 HB3 LYS A 41 -9.523 10.908 -1.045 1.00 22.20 H new ATOM 0 HG2 LYS A 41 -8.796 11.474 -3.126 1.00 14.11 H new ATOM 0 HG3 LYS A 41 -9.025 13.106 -2.532 1.00 14.11 H new ATOM 0 HD2 LYS A 41 -6.382 11.804 -1.971 1.00 31.32 H new ATOM 0 HD3 LYS A 41 -6.708 12.269 -3.629 1.00 31.32 H new ATOM 0 HE2 LYS A 41 -7.453 14.567 -2.558 1.00 3.25 H new ATOM 0 HE3 LYS A 41 -6.526 14.023 -1.174 1.00 3.25 H new ATOM 0 HZ1 LYS A 41 -5.379 15.396 -3.017 1.00 22.13 H new ATOM 0 HZ2 LYS A 41 -4.558 14.067 -2.351 1.00 22.13 H new ATOM 0 HZ3 LYS A 41 -5.313 13.926 -3.865 1.00 22.13 H new ATOM 593 N GLU A 42 -9.615 11.220 1.860 1.00 35.54 N ATOM 594 CA GLU A 42 -10.455 10.595 2.876 1.00 13.14 C ATOM 595 C GLU A 42 -9.818 10.714 4.258 1.00 1.52 C ATOM 596 O GLU A 42 -10.511 10.861 5.263 1.00 71.23 O ATOM 597 CB GLU A 42 -10.694 9.123 2.537 1.00 64.13 C ATOM 598 CG GLU A 42 -9.416 8.342 2.282 1.00 5.20 C ATOM 599 CD GLU A 42 -9.204 8.033 0.812 1.00 33.30 C ATOM 600 OE1 GLU A 42 -8.852 8.962 0.055 1.00 55.43 O ATOM 601 OE2 GLU A 42 -9.390 6.862 0.420 1.00 71.54 O ATOM 0 H GLU A 42 -8.653 10.881 1.839 1.00 35.54 H new ATOM 0 HA GLU A 42 -11.412 11.117 2.890 1.00 13.14 H new ATOM 0 HB2 GLU A 42 -11.239 8.654 3.356 1.00 64.13 H new ATOM 0 HB3 GLU A 42 -11.330 9.061 1.654 1.00 64.13 H new ATOM 0 HG2 GLU A 42 -8.566 8.912 2.656 1.00 5.20 H new ATOM 0 HG3 GLU A 42 -9.446 7.409 2.845 1.00 5.20 H new ATOM 606 N GLY A 43 -8.490 10.647 4.298 1.00 12.15 N ATOM 607 CA GLY A 43 -7.780 10.748 5.560 1.00 12.22 C ATOM 608 C GLY A 43 -7.431 9.391 6.138 1.00 2.33 C ATOM 609 O GLY A 43 -7.144 9.272 7.329 1.00 15.01 O ATOM 0 H GLY A 43 -7.894 10.525 3.479 1.00 12.15 H new ATOM 0 HA2 GLY A 43 -6.866 11.324 5.414 1.00 12.22 H new ATOM 0 HA3 GLY A 43 -8.392 11.298 6.275 1.00 12.22 H new ATOM 613 N ILE A 44 -7.456 8.366 5.294 1.00 52.51 N ATOM 614 CA ILE A 44 -7.140 7.011 5.728 1.00 62.44 C ATOM 615 C ILE A 44 -5.651 6.860 6.018 1.00 40.44 C ATOM 616 O ILE A 44 -4.796 7.235 5.216 1.00 44.13 O ATOM 617 CB ILE A 44 -7.554 5.970 4.672 1.00 40.24 C ATOM 618 CG1 ILE A 44 -9.061 5.717 4.737 1.00 13.34 C ATOM 619 CG2 ILE A 44 -6.785 4.673 4.877 1.00 13.40 C ATOM 620 CD1 ILE A 44 -9.506 5.040 6.014 1.00 32.15 C ATOM 0 H ILE A 44 -7.692 8.448 4.305 1.00 52.51 H new ATOM 0 HA ILE A 44 -7.706 6.833 6.642 1.00 62.44 H new ATOM 0 HB ILE A 44 -7.312 6.361 3.684 1.00 40.24 H new ATOM 0 HG12 ILE A 44 -9.585 6.667 4.638 1.00 13.34 H new ATOM 0 HG13 ILE A 44 -9.355 5.101 3.887 1.00 13.34 H new ATOM 0 HG21 ILE A 44 -7.089 3.947 4.123 1.00 13.40 H new ATOM 0 HG22 ILE A 44 -5.716 4.866 4.786 1.00 13.40 H new ATOM 0 HG23 ILE A 44 -6.999 4.276 5.869 1.00 13.40 H new ATOM 0 HD11 ILE A 44 -10.586 4.892 5.990 1.00 32.15 H new ATOM 0 HD12 ILE A 44 -9.010 4.074 6.106 1.00 32.15 H new ATOM 0 HD13 ILE A 44 -9.244 5.665 6.868 1.00 32.15 H new ATOM 631 N PRO A 45 -5.330 6.295 7.192 1.00 22.01 N ATOM 632 CA PRO A 45 -3.943 6.079 7.614 1.00 24.21 C ATOM 633 C PRO A 45 -3.249 4.998 6.793 1.00 13.23 C ATOM 634 O PRO A 45 -3.835 3.968 6.457 1.00 45.22 O ATOM 635 CB PRO A 45 -4.082 5.637 9.073 1.00 65.31 C ATOM 636 CG PRO A 45 -5.446 5.047 9.163 1.00 4.41 C ATOM 637 CD PRO A 45 -6.298 5.824 8.197 1.00 23.31 C ATOM 0 HA PRO A 45 -3.332 6.972 7.481 1.00 24.21 H new ATOM 0 HB2 PRO A 45 -3.317 4.908 9.340 1.00 65.31 H new ATOM 0 HB3 PRO A 45 -3.970 6.480 9.754 1.00 65.31 H new ATOM 0 HG2 PRO A 45 -5.431 3.988 8.905 1.00 4.41 H new ATOM 0 HG3 PRO A 45 -5.838 5.123 10.177 1.00 4.41 H new ATOM 0 HD2 PRO A 45 -7.070 5.199 7.749 1.00 23.31 H new ATOM 0 HD3 PRO A 45 -6.805 6.655 8.687 1.00 23.31 H new ATOM 642 N PRO A 46 -1.971 5.233 6.462 1.00 24.05 N ATOM 643 CA PRO A 46 -1.169 4.290 5.676 1.00 73.55 C ATOM 644 C PRO A 46 -0.836 3.023 6.458 1.00 12.34 C ATOM 645 O PRO A 46 -0.689 1.947 5.879 1.00 44.32 O ATOM 646 CB PRO A 46 0.106 5.079 5.368 1.00 35.20 C ATOM 647 CG PRO A 46 0.205 6.083 6.465 1.00 11.13 C ATOM 648 CD PRO A 46 -1.210 6.439 6.829 1.00 20.50 C ATOM 0 HA PRO A 46 -1.698 3.946 4.787 1.00 73.55 H new ATOM 0 HB2 PRO A 46 0.980 4.427 5.348 1.00 35.20 H new ATOM 0 HB3 PRO A 46 0.046 5.563 4.393 1.00 35.20 H new ATOM 0 HG2 PRO A 46 0.737 5.672 7.323 1.00 11.13 H new ATOM 0 HG3 PRO A 46 0.758 6.964 6.139 1.00 11.13 H new ATOM 0 HD2 PRO A 46 -1.306 6.667 7.890 1.00 20.50 H new ATOM 0 HD3 PRO A 46 -1.557 7.315 6.282 1.00 20.50 H new ATOM 653 N ASP A 47 -0.719 3.159 7.774 1.00 25.21 N ATOM 654 CA ASP A 47 -0.404 2.025 8.635 1.00 42.41 C ATOM 655 C ASP A 47 -1.473 0.943 8.520 1.00 74.04 C ATOM 656 O ASP A 47 -1.184 -0.246 8.658 1.00 31.22 O ATOM 657 CB ASP A 47 -0.276 2.480 10.089 1.00 72.12 C ATOM 658 CG ASP A 47 0.485 1.485 10.942 1.00 21.22 C ATOM 659 OD1 ASP A 47 0.100 0.297 10.953 1.00 44.32 O ATOM 660 OD2 ASP A 47 1.466 1.894 11.601 1.00 13.35 O ATOM 0 H ASP A 47 -0.838 4.043 8.268 1.00 25.21 H new ATOM 0 HA ASP A 47 0.548 1.607 8.309 1.00 42.41 H new ATOM 0 HB2 ASP A 47 0.231 3.444 10.122 1.00 72.12 H new ATOM 0 HB3 ASP A 47 -1.271 2.628 10.509 1.00 72.12 H new ATOM 664 N GLN A 48 -2.708 1.363 8.268 1.00 13.12 N ATOM 665 CA GLN A 48 -3.821 0.429 8.137 1.00 3.14 C ATOM 666 C GLN A 48 -4.263 0.310 6.682 1.00 12.21 C ATOM 667 O GLN A 48 -4.812 -0.713 6.273 1.00 31.40 O ATOM 668 CB GLN A 48 -4.998 0.880 9.005 1.00 21.23 C ATOM 669 CG GLN A 48 -4.585 1.365 10.385 1.00 53.12 C ATOM 670 CD GLN A 48 -4.004 0.258 11.242 1.00 42.23 C ATOM 671 OE1 GLN A 48 -4.735 -0.562 11.799 1.00 22.03 O ATOM 672 NE2 GLN A 48 -2.681 0.228 11.354 1.00 71.31 N ATOM 0 H GLN A 48 -2.964 2.343 8.150 1.00 13.12 H new ATOM 0 HA GLN A 48 -3.483 -0.550 8.476 1.00 3.14 H new ATOM 0 HB2 GLN A 48 -5.531 1.680 8.492 1.00 21.23 H new ATOM 0 HB3 GLN A 48 -5.697 0.051 9.114 1.00 21.23 H new ATOM 0 HG2 GLN A 48 -3.850 2.163 10.281 1.00 53.12 H new ATOM 0 HG3 GLN A 48 -5.451 1.794 10.890 1.00 53.12 H new ATOM 0 HE21 GLN A 48 -2.113 0.927 10.876 1.00 71.31 H new ATOM 0 HE22 GLN A 48 -2.233 -0.494 11.918 1.00 71.31 H new ATOM 679 N GLN A 49 -4.021 1.362 5.907 1.00 53.32 N ATOM 680 CA GLN A 49 -4.396 1.374 4.497 1.00 61.24 C ATOM 681 C GLN A 49 -3.876 0.130 3.786 1.00 24.02 C ATOM 682 O GLN A 49 -2.667 -0.067 3.663 1.00 4.34 O ATOM 683 CB GLN A 49 -3.854 2.631 3.815 1.00 45.05 C ATOM 684 CG GLN A 49 -4.185 2.710 2.334 1.00 11.42 C ATOM 685 CD GLN A 49 -3.978 4.099 1.762 1.00 70.10 C ATOM 686 OE1 GLN A 49 -4.930 4.764 1.355 1.00 12.35 O ATOM 687 NE2 GLN A 49 -2.727 4.544 1.729 1.00 34.45 N ATOM 0 H GLN A 49 -3.568 2.216 6.231 1.00 53.32 H new ATOM 0 HA GLN A 49 -5.484 1.377 4.435 1.00 61.24 H new ATOM 0 HB2 GLN A 49 -4.259 3.510 4.317 1.00 45.05 H new ATOM 0 HB3 GLN A 49 -2.772 2.664 3.939 1.00 45.05 H new ATOM 0 HG2 GLN A 49 -3.563 2.000 1.788 1.00 11.42 H new ATOM 0 HG3 GLN A 49 -5.221 2.409 2.181 1.00 11.42 H new ATOM 0 HE21 GLN A 49 -1.968 3.958 2.077 1.00 34.45 H new ATOM 0 HE22 GLN A 49 -2.525 5.471 1.355 1.00 34.45 H new ATOM 694 N ARG A 50 -4.796 -0.707 3.319 1.00 13.02 N ATOM 695 CA ARG A 50 -4.430 -1.933 2.620 1.00 32.15 C ATOM 696 C ARG A 50 -3.901 -1.625 1.222 1.00 54.32 C ATOM 697 O ARG A 50 -4.433 -0.763 0.521 1.00 31.42 O ATOM 698 CB ARG A 50 -5.635 -2.871 2.526 1.00 30.02 C ATOM 699 CG ARG A 50 -6.264 -3.192 3.872 1.00 73.45 C ATOM 700 CD ARG A 50 -5.838 -4.564 4.373 1.00 14.44 C ATOM 701 NE ARG A 50 -6.242 -4.790 5.757 1.00 74.11 N ATOM 702 CZ ARG A 50 -6.052 -5.938 6.400 1.00 4.12 C ATOM 703 NH1 ARG A 50 -5.467 -6.956 5.786 1.00 44.30 N ATOM 704 NH2 ARG A 50 -6.446 -6.067 7.661 1.00 13.52 N ATOM 0 H ARG A 50 -5.801 -0.559 3.412 1.00 13.02 H new ATOM 0 HA ARG A 50 -3.640 -2.423 3.189 1.00 32.15 H new ATOM 0 HB2 ARG A 50 -6.388 -2.418 1.882 1.00 30.02 H new ATOM 0 HB3 ARG A 50 -5.325 -3.800 2.049 1.00 30.02 H new ATOM 0 HG2 ARG A 50 -5.977 -2.433 4.599 1.00 73.45 H new ATOM 0 HG3 ARG A 50 -7.350 -3.156 3.785 1.00 73.45 H new ATOM 0 HD2 ARG A 50 -6.275 -5.334 3.737 1.00 14.44 H new ATOM 0 HD3 ARG A 50 -4.755 -4.660 4.291 1.00 14.44 H new ATOM 0 HE ARG A 50 -6.695 -4.026 6.258 1.00 74.11 H new ATOM 0 HH11 ARG A 50 -5.161 -6.860 4.818 1.00 44.30 H new ATOM 0 HH12 ARG A 50 -5.322 -7.836 6.282 1.00 44.30 H new ATOM 0 HH21 ARG A 50 -6.895 -5.285 8.138 1.00 13.52 H new ATOM 0 HH22 ARG A 50 -6.300 -6.948 8.153 1.00 13.52 H new ATOM 715 N LEU A 51 -2.852 -2.335 0.823 1.00 73.20 N ATOM 716 CA LEU A 51 -2.250 -2.137 -0.491 1.00 1.21 C ATOM 717 C LEU A 51 -2.614 -3.280 -1.434 1.00 10.32 C ATOM 718 O LEU A 51 -2.462 -4.453 -1.092 1.00 73.31 O ATOM 719 CB LEU A 51 -0.729 -2.029 -0.367 1.00 34.51 C ATOM 720 CG LEU A 51 -0.043 -1.064 -1.333 1.00 14.14 C ATOM 721 CD1 LEU A 51 -0.508 -1.317 -2.759 1.00 41.43 C ATOM 722 CD2 LEU A 51 -0.316 0.378 -0.931 1.00 53.02 C ATOM 0 H LEU A 51 -2.401 -3.053 1.390 1.00 73.20 H new ATOM 0 HA LEU A 51 -2.641 -1.208 -0.906 1.00 1.21 H new ATOM 0 HB2 LEU A 51 -0.489 -1.724 0.651 1.00 34.51 H new ATOM 0 HB3 LEU A 51 -0.302 -3.021 -0.512 1.00 34.51 H new ATOM 0 HG LEU A 51 1.032 -1.236 -1.286 1.00 14.14 H new ATOM 0 HD11 LEU A 51 -0.009 -0.621 -3.433 1.00 41.43 H new ATOM 0 HD12 LEU A 51 -0.262 -2.339 -3.046 1.00 41.43 H new ATOM 0 HD13 LEU A 51 -1.587 -1.172 -2.821 1.00 41.43 H new ATOM 0 HD21 LEU A 51 0.180 1.051 -1.630 1.00 53.02 H new ATOM 0 HD22 LEU A 51 -1.390 0.564 -0.949 1.00 53.02 H new ATOM 0 HD23 LEU A 51 0.066 0.554 0.075 1.00 53.02 H new ATOM 733 N ILE A 52 -3.094 -2.929 -2.622 1.00 12.11 N ATOM 734 CA ILE A 52 -3.477 -3.925 -3.615 1.00 41.11 C ATOM 735 C ILE A 52 -2.913 -3.576 -4.990 1.00 75.51 C ATOM 736 O ILE A 52 -3.242 -2.536 -5.561 1.00 12.22 O ATOM 737 CB ILE A 52 -5.007 -4.057 -3.719 1.00 72.24 C ATOM 738 CG1 ILE A 52 -5.557 -4.820 -2.512 1.00 13.31 C ATOM 739 CG2 ILE A 52 -5.392 -4.756 -5.014 1.00 52.51 C ATOM 740 CD1 ILE A 52 -5.570 -4.007 -1.237 1.00 13.24 C ATOM 0 H ILE A 52 -3.227 -1.963 -2.920 1.00 12.11 H new ATOM 0 HA ILE A 52 -3.060 -4.876 -3.284 1.00 41.11 H new ATOM 0 HB ILE A 52 -5.444 -3.058 -3.725 1.00 72.24 H new ATOM 0 HG12 ILE A 52 -6.572 -5.150 -2.733 1.00 13.31 H new ATOM 0 HG13 ILE A 52 -4.957 -5.717 -2.355 1.00 13.31 H new ATOM 0 HG21 ILE A 52 -6.477 -4.842 -5.073 1.00 52.51 H new ATOM 0 HG22 ILE A 52 -5.027 -4.177 -5.862 1.00 52.51 H new ATOM 0 HG23 ILE A 52 -4.948 -5.751 -5.036 1.00 52.51 H new ATOM 0 HD11 ILE A 52 -5.972 -4.612 -0.424 1.00 13.24 H new ATOM 0 HD12 ILE A 52 -4.554 -3.699 -0.992 1.00 13.24 H new ATOM 0 HD13 ILE A 52 -6.194 -3.124 -1.375 1.00 13.24 H new ATOM 751 N PHE A 53 -2.065 -4.452 -5.515 1.00 2.21 N ATOM 752 CA PHE A 53 -1.456 -4.238 -6.822 1.00 34.14 C ATOM 753 C PHE A 53 -1.696 -5.436 -7.737 1.00 61.35 C ATOM 754 O PHE A 53 -1.222 -6.539 -7.469 1.00 51.22 O ATOM 755 CB PHE A 53 0.046 -3.987 -6.675 1.00 21.41 C ATOM 756 CG PHE A 53 0.787 -3.997 -7.982 1.00 21.33 C ATOM 757 CD1 PHE A 53 0.262 -3.359 -9.095 1.00 43.23 C ATOM 758 CD2 PHE A 53 2.008 -4.641 -8.096 1.00 50.13 C ATOM 759 CE1 PHE A 53 0.942 -3.367 -10.298 1.00 53.11 C ATOM 760 CE2 PHE A 53 2.692 -4.651 -9.297 1.00 13.31 C ATOM 761 CZ PHE A 53 2.158 -4.012 -10.399 1.00 52.43 C ATOM 0 H PHE A 53 -1.783 -5.318 -5.055 1.00 2.21 H new ATOM 0 HA PHE A 53 -1.921 -3.361 -7.272 1.00 34.14 H new ATOM 0 HB2 PHE A 53 0.199 -3.024 -6.187 1.00 21.41 H new ATOM 0 HB3 PHE A 53 0.471 -4.748 -6.020 1.00 21.41 H new ATOM 0 HD1 PHE A 53 -0.688 -2.851 -9.021 1.00 43.23 H new ATOM 0 HD2 PHE A 53 2.430 -5.141 -7.237 1.00 50.13 H new ATOM 0 HE1 PHE A 53 0.522 -2.869 -11.159 1.00 53.11 H new ATOM 0 HE2 PHE A 53 3.643 -5.158 -9.374 1.00 13.31 H new ATOM 0 HZ PHE A 53 2.691 -4.017 -11.338 1.00 52.43 H new ATOM 770 N ALA A 54 -2.435 -5.208 -8.818 1.00 74.13 N ATOM 771 CA ALA A 54 -2.736 -6.267 -9.773 1.00 55.41 C ATOM 772 C ALA A 54 -3.357 -7.475 -9.077 1.00 63.10 C ATOM 773 O ALA A 54 -3.152 -8.615 -9.491 1.00 34.12 O ATOM 774 CB ALA A 54 -1.477 -6.678 -10.522 1.00 25.23 C ATOM 0 H ALA A 54 -2.836 -4.300 -9.054 1.00 74.13 H new ATOM 0 HA ALA A 54 -3.461 -5.880 -10.489 1.00 55.41 H new ATOM 0 HB1 ALA A 54 -1.718 -7.470 -11.232 1.00 25.23 H new ATOM 0 HB2 ALA A 54 -1.076 -5.818 -11.059 1.00 25.23 H new ATOM 0 HB3 ALA A 54 -0.733 -7.041 -9.812 1.00 25.23 H new ATOM 780 N GLY A 55 -4.115 -7.216 -8.016 1.00 25.50 N ATOM 781 CA GLY A 55 -4.751 -8.291 -7.279 1.00 13.14 C ATOM 782 C GLY A 55 -3.895 -8.798 -6.136 1.00 3.31 C ATOM 783 O GLY A 55 -4.401 -9.404 -5.191 1.00 24.13 O ATOM 0 H GLY A 55 -4.300 -6.280 -7.654 1.00 25.50 H new ATOM 0 HA2 GLY A 55 -5.706 -7.942 -6.886 1.00 13.14 H new ATOM 0 HA3 GLY A 55 -4.968 -9.115 -7.959 1.00 13.14 H new ATOM 787 N LYS A 56 -2.592 -8.553 -6.223 1.00 51.22 N ATOM 788 CA LYS A 56 -1.660 -8.990 -5.189 1.00 21.45 C ATOM 789 C LYS A 56 -1.341 -7.849 -4.228 1.00 44.32 C ATOM 790 O LYS A 56 -0.900 -6.779 -4.647 1.00 30.04 O ATOM 791 CB LYS A 56 -0.370 -9.513 -5.824 1.00 41.54 C ATOM 792 CG LYS A 56 0.392 -10.486 -4.941 1.00 72.42 C ATOM 793 CD LYS A 56 1.834 -10.638 -5.393 1.00 54.04 C ATOM 794 CE LYS A 56 1.934 -11.450 -6.676 1.00 33.51 C ATOM 795 NZ LYS A 56 3.223 -12.189 -6.765 1.00 2.54 N ATOM 0 H LYS A 56 -2.157 -8.054 -6.999 1.00 51.22 H new ATOM 0 HA LYS A 56 -2.132 -9.795 -4.626 1.00 21.45 H new ATOM 0 HB2 LYS A 56 -0.612 -10.004 -6.767 1.00 41.54 H new ATOM 0 HB3 LYS A 56 0.277 -8.668 -6.062 1.00 41.54 H new ATOM 0 HG2 LYS A 56 0.368 -10.137 -3.909 1.00 72.42 H new ATOM 0 HG3 LYS A 56 -0.101 -11.458 -4.960 1.00 72.42 H new ATOM 0 HD2 LYS A 56 2.273 -9.653 -5.550 1.00 54.04 H new ATOM 0 HD3 LYS A 56 2.413 -11.124 -4.608 1.00 54.04 H new ATOM 0 HE2 LYS A 56 1.106 -12.157 -6.724 1.00 33.51 H new ATOM 0 HE3 LYS A 56 1.836 -10.786 -7.535 1.00 33.51 H new ATOM 0 HZ1 LYS A 56 3.253 -12.730 -7.653 1.00 2.54 H new ATOM 0 HZ2 LYS A 56 4.013 -11.513 -6.745 1.00 2.54 H new ATOM 0 HZ3 LYS A 56 3.305 -12.841 -5.959 1.00 2.54 H new ATOM 805 N GLN A 57 -1.563 -8.086 -2.940 1.00 72.03 N ATOM 806 CA GLN A 57 -1.297 -7.078 -1.920 1.00 4.32 C ATOM 807 C GLN A 57 0.193 -7.010 -1.599 1.00 73.24 C ATOM 808 O GLN A 57 0.937 -7.959 -1.847 1.00 3.53 O ATOM 809 CB GLN A 57 -2.092 -7.384 -0.651 1.00 34.23 C ATOM 810 CG GLN A 57 -1.439 -8.429 0.239 1.00 75.54 C ATOM 811 CD GLN A 57 -1.230 -9.752 -0.470 1.00 2.24 C ATOM 812 OE1 GLN A 57 -0.096 -10.173 -0.702 1.00 72.31 O ATOM 813 NE2 GLN A 57 -2.324 -10.416 -0.821 1.00 32.24 N ATOM 0 H GLN A 57 -1.926 -8.967 -2.577 1.00 72.03 H new ATOM 0 HA GLN A 57 -1.610 -6.110 -2.310 1.00 4.32 H new ATOM 0 HB2 GLN A 57 -2.221 -6.463 -0.082 1.00 34.23 H new ATOM 0 HB3 GLN A 57 -3.088 -7.728 -0.930 1.00 34.23 H new ATOM 0 HG2 GLN A 57 -0.478 -8.053 0.589 1.00 75.54 H new ATOM 0 HG3 GLN A 57 -2.059 -8.588 1.121 1.00 75.54 H new ATOM 0 HE21 GLN A 57 -3.244 -10.031 -0.609 1.00 32.24 H new ATOM 0 HE22 GLN A 57 -2.244 -11.312 -1.302 1.00 32.24 H new ATOM 820 N LEU A 58 0.621 -5.882 -1.043 1.00 3.11 N ATOM 821 CA LEU A 58 2.023 -5.689 -0.687 1.00 60.01 C ATOM 822 C LEU A 58 2.269 -6.057 0.773 1.00 74.53 C ATOM 823 O LEU A 58 1.361 -6.508 1.470 1.00 15.11 O ATOM 824 CB LEU A 58 2.438 -4.238 -0.935 1.00 10.11 C ATOM 825 CG LEU A 58 2.668 -3.846 -2.395 1.00 11.31 C ATOM 826 CD1 LEU A 58 3.693 -4.766 -3.039 1.00 45.44 C ATOM 827 CD2 LEU A 58 1.358 -3.881 -3.170 1.00 71.32 C ATOM 0 H LEU A 58 0.018 -5.088 -0.829 1.00 3.11 H new ATOM 0 HA LEU A 58 2.625 -6.345 -1.315 1.00 60.01 H new ATOM 0 HB2 LEU A 58 1.669 -3.585 -0.521 1.00 10.11 H new ATOM 0 HB3 LEU A 58 3.355 -4.043 -0.379 1.00 10.11 H new ATOM 0 HG LEU A 58 3.056 -2.828 -2.421 1.00 11.31 H new ATOM 0 HD11 LEU A 58 3.844 -4.472 -4.078 1.00 45.44 H new ATOM 0 HD12 LEU A 58 4.638 -4.692 -2.500 1.00 45.44 H new ATOM 0 HD13 LEU A 58 3.333 -5.794 -3.002 1.00 45.44 H new ATOM 0 HD21 LEU A 58 1.541 -3.599 -4.207 1.00 71.32 H new ATOM 0 HD22 LEU A 58 0.942 -4.888 -3.136 1.00 71.32 H new ATOM 0 HD23 LEU A 58 0.652 -3.181 -2.723 1.00 71.32 H new ATOM 838 N GLU A 59 3.501 -5.858 1.229 1.00 42.34 N ATOM 839 CA GLU A 59 3.865 -6.168 2.606 1.00 51.24 C ATOM 840 C GLU A 59 3.750 -4.930 3.491 1.00 63.25 C ATOM 841 O GLU A 59 2.811 -4.801 4.276 1.00 31.33 O ATOM 842 CB GLU A 59 5.291 -6.722 2.669 1.00 14.35 C ATOM 843 CG GLU A 59 5.784 -6.975 4.083 1.00 52.14 C ATOM 844 CD GLU A 59 6.777 -8.118 4.159 1.00 41.14 C ATOM 845 OE1 GLU A 59 7.417 -8.417 3.128 1.00 61.42 O ATOM 846 OE2 GLU A 59 6.914 -8.715 5.247 1.00 70.23 O ATOM 0 H GLU A 59 4.264 -5.484 0.665 1.00 42.34 H new ATOM 0 HA GLU A 59 3.172 -6.924 2.976 1.00 51.24 H new ATOM 0 HB2 GLU A 59 5.335 -7.654 2.106 1.00 14.35 H new ATOM 0 HB3 GLU A 59 5.966 -6.021 2.178 1.00 14.35 H new ATOM 0 HG2 GLU A 59 6.249 -6.068 4.469 1.00 52.14 H new ATOM 0 HG3 GLU A 59 4.932 -7.195 4.727 1.00 52.14 H new ATOM 851 N ASP A 60 4.713 -4.024 3.359 1.00 13.21 N ATOM 852 CA ASP A 60 4.720 -2.796 4.145 1.00 60.43 C ATOM 853 C ASP A 60 4.802 -1.572 3.240 1.00 31.02 C ATOM 854 O ASP A 60 4.657 -1.676 2.023 1.00 4.40 O ATOM 855 CB ASP A 60 5.894 -2.800 5.125 1.00 73.54 C ATOM 856 CG ASP A 60 5.538 -2.172 6.459 1.00 44.31 C ATOM 857 OD1 ASP A 60 4.499 -2.555 7.036 1.00 43.13 O ATOM 858 OD2 ASP A 60 6.297 -1.297 6.924 1.00 23.53 O ATOM 0 H ASP A 60 5.499 -4.117 2.715 1.00 13.21 H new ATOM 0 HA ASP A 60 3.787 -2.748 4.707 1.00 60.43 H new ATOM 0 HB2 ASP A 60 6.225 -3.826 5.287 1.00 73.54 H new ATOM 0 HB3 ASP A 60 6.732 -2.260 4.685 1.00 73.54 H new ATOM 862 N GLY A 61 5.034 -0.410 3.843 1.00 33.24 N ATOM 863 CA GLY A 61 5.129 0.818 3.077 1.00 3.02 C ATOM 864 C GLY A 61 6.549 1.124 2.644 1.00 41.02 C ATOM 865 O GLY A 61 7.336 1.673 3.416 1.00 33.02 O ATOM 0 H GLY A 61 5.158 -0.298 4.849 1.00 33.24 H new ATOM 0 HA2 GLY A 61 4.492 0.743 2.196 1.00 3.02 H new ATOM 0 HA3 GLY A 61 4.749 1.646 3.675 1.00 3.02 H new ATOM 869 N ARG A 62 6.880 0.765 1.408 1.00 10.11 N ATOM 870 CA ARG A 62 8.217 1.001 0.875 1.00 34.31 C ATOM 871 C ARG A 62 8.146 1.693 -0.482 1.00 3.51 C ATOM 872 O ARG A 62 7.074 1.815 -1.076 1.00 50.45 O ATOM 873 CB ARG A 62 8.979 -0.320 0.748 1.00 30.54 C ATOM 874 CG ARG A 62 10.434 -0.226 1.177 1.00 14.44 C ATOM 875 CD ARG A 62 10.567 -0.171 2.691 1.00 33.03 C ATOM 876 NE ARG A 62 11.868 -0.654 3.144 1.00 23.33 N ATOM 877 CZ ARG A 62 12.348 -0.437 4.364 1.00 4.25 C ATOM 878 NH1 ARG A 62 11.638 0.252 5.246 1.00 64.14 N ATOM 879 NH2 ARG A 62 13.542 -0.908 4.702 1.00 13.44 N ATOM 0 H ARG A 62 6.241 0.310 0.757 1.00 10.11 H new ATOM 0 HA ARG A 62 8.748 1.653 1.568 1.00 34.31 H new ATOM 0 HB2 ARG A 62 8.479 -1.078 1.351 1.00 30.54 H new ATOM 0 HB3 ARG A 62 8.935 -0.657 -0.288 1.00 30.54 H new ATOM 0 HG2 ARG A 62 10.984 -1.086 0.794 1.00 14.44 H new ATOM 0 HG3 ARG A 62 10.887 0.663 0.739 1.00 14.44 H new ATOM 0 HD2 ARG A 62 10.423 0.855 3.030 1.00 33.03 H new ATOM 0 HD3 ARG A 62 9.779 -0.771 3.146 1.00 33.03 H new ATOM 0 HE ARG A 62 12.440 -1.187 2.489 1.00 23.33 H new ATOM 0 HH11 ARG A 62 10.721 0.617 4.989 1.00 64.14 H new ATOM 0 HH12 ARG A 62 12.009 0.417 6.182 1.00 64.14 H new ATOM 0 HH21 ARG A 62 14.092 -1.437 4.025 1.00 13.44 H new ATOM 0 HH22 ARG A 62 13.910 -0.741 5.639 1.00 13.44 H new ATOM 890 N THR A 63 9.297 2.147 -0.970 1.00 15.50 N ATOM 891 CA THR A 63 9.367 2.828 -2.257 1.00 31.04 C ATOM 892 C THR A 63 9.306 1.832 -3.410 1.00 23.33 C ATOM 893 O THR A 63 9.603 0.649 -3.239 1.00 64.11 O ATOM 894 CB THR A 63 10.655 3.663 -2.382 1.00 11.03 C ATOM 895 OG1 THR A 63 11.778 2.801 -2.596 1.00 53.12 O ATOM 896 CG2 THR A 63 10.882 4.499 -1.132 1.00 74.43 C ATOM 0 H THR A 63 10.194 2.055 -0.493 1.00 15.50 H new ATOM 0 HA THR A 63 8.505 3.494 -2.309 1.00 31.04 H new ATOM 0 HB THR A 63 10.545 4.335 -3.233 1.00 11.03 H new ATOM 0 HG1 THR A 63 12.515 3.315 -2.987 1.00 53.12 H new ATOM 0 HG21 THR A 63 11.797 5.080 -1.244 1.00 74.43 H new ATOM 0 HG22 THR A 63 10.039 5.175 -0.988 1.00 74.43 H new ATOM 0 HG23 THR A 63 10.973 3.842 -0.267 1.00 74.43 H new ATOM 904 N LEU A 64 8.919 2.318 -4.585 1.00 31.41 N ATOM 905 CA LEU A 64 8.819 1.470 -5.768 1.00 61.24 C ATOM 906 C LEU A 64 10.202 1.032 -6.241 1.00 21.32 C ATOM 907 O LEU A 64 10.374 -0.079 -6.742 1.00 43.30 O ATOM 908 CB LEU A 64 8.095 2.213 -6.891 1.00 15.52 C ATOM 909 CG LEU A 64 6.927 3.102 -6.464 1.00 50.30 C ATOM 910 CD1 LEU A 64 6.225 3.683 -7.682 1.00 3.11 C ATOM 911 CD2 LEU A 64 5.945 2.318 -5.605 1.00 43.55 C ATOM 0 H LEU A 64 8.670 3.294 -4.744 1.00 31.41 H new ATOM 0 HA LEU A 64 8.248 0.581 -5.502 1.00 61.24 H new ATOM 0 HB2 LEU A 64 8.822 2.831 -7.418 1.00 15.52 H new ATOM 0 HB3 LEU A 64 7.724 1.478 -7.605 1.00 15.52 H new ATOM 0 HG LEU A 64 7.322 3.926 -5.870 1.00 50.30 H new ATOM 0 HD11 LEU A 64 5.396 4.313 -7.358 1.00 3.11 H new ATOM 0 HD12 LEU A 64 6.931 4.280 -8.259 1.00 3.11 H new ATOM 0 HD13 LEU A 64 5.843 2.873 -8.303 1.00 3.11 H new ATOM 0 HD21 LEU A 64 5.120 2.967 -5.311 1.00 43.55 H new ATOM 0 HD22 LEU A 64 5.557 1.474 -6.175 1.00 43.55 H new ATOM 0 HD23 LEU A 64 6.454 1.951 -4.714 1.00 43.55 H new ATOM 922 N SER A 65 11.184 1.912 -6.076 1.00 63.23 N ATOM 923 CA SER A 65 12.552 1.617 -6.488 1.00 71.21 C ATOM 924 C SER A 65 13.194 0.599 -5.550 1.00 10.33 C ATOM 925 O SER A 65 13.973 -0.251 -5.980 1.00 5.45 O ATOM 926 CB SER A 65 13.387 2.900 -6.516 1.00 55.51 C ATOM 927 OG SER A 65 14.605 2.699 -7.211 1.00 2.14 O ATOM 0 H SER A 65 11.058 2.835 -5.660 1.00 63.23 H new ATOM 0 HA SER A 65 12.520 1.191 -7.491 1.00 71.21 H new ATOM 0 HB2 SER A 65 12.819 3.697 -6.995 1.00 55.51 H new ATOM 0 HB3 SER A 65 13.595 3.225 -5.497 1.00 55.51 H new ATOM 0 HG SER A 65 15.120 3.533 -7.217 1.00 2.14 H new ATOM 932 N GLU A 66 12.860 0.693 -4.267 1.00 40.04 N ATOM 933 CA GLU A 66 13.404 -0.220 -3.269 1.00 71.45 C ATOM 934 C GLU A 66 12.739 -1.590 -3.362 1.00 3.34 C ATOM 935 O GLU A 66 13.401 -2.623 -3.251 1.00 4.44 O ATOM 936 CB GLU A 66 13.215 0.355 -1.863 1.00 63.43 C ATOM 937 CG GLU A 66 14.152 1.510 -1.546 1.00 54.54 C ATOM 938 CD GLU A 66 15.509 1.041 -1.057 1.00 32.43 C ATOM 939 OE1 GLU A 66 15.568 -0.009 -0.385 1.00 0.31 O ATOM 940 OE2 GLU A 66 16.512 1.727 -1.347 1.00 32.02 O ATOM 0 H GLU A 66 12.216 1.391 -3.895 1.00 40.04 H new ATOM 0 HA GLU A 66 14.469 -0.339 -3.467 1.00 71.45 H new ATOM 0 HB2 GLU A 66 12.185 0.694 -1.754 1.00 63.43 H new ATOM 0 HB3 GLU A 66 13.369 -0.438 -1.131 1.00 63.43 H new ATOM 0 HG2 GLU A 66 14.283 2.123 -2.438 1.00 54.54 H new ATOM 0 HG3 GLU A 66 13.696 2.146 -0.787 1.00 54.54 H new ATOM 945 N TYR A 67 11.427 -1.591 -3.569 1.00 5.11 N ATOM 946 CA TYR A 67 10.671 -2.833 -3.675 1.00 32.14 C ATOM 947 C TYR A 67 10.686 -3.359 -5.108 1.00 52.11 C ATOM 948 O TYR A 67 10.218 -4.463 -5.380 1.00 32.31 O ATOM 949 CB TYR A 67 9.228 -2.618 -3.214 1.00 45.31 C ATOM 950 CG TYR A 67 8.910 -3.280 -1.893 1.00 50.40 C ATOM 951 CD1 TYR A 67 9.776 -3.171 -0.812 1.00 22.43 C ATOM 952 CD2 TYR A 67 7.743 -4.016 -1.726 1.00 62.10 C ATOM 953 CE1 TYR A 67 9.489 -3.775 0.397 1.00 34.10 C ATOM 954 CE2 TYR A 67 7.447 -4.621 -0.520 1.00 52.55 C ATOM 955 CZ TYR A 67 8.324 -4.500 0.538 1.00 23.44 C ATOM 956 OH TYR A 67 8.034 -5.102 1.741 1.00 24.14 O ATOM 0 H TYR A 67 10.865 -0.745 -3.667 1.00 5.11 H new ATOM 0 HA TYR A 67 11.145 -3.573 -3.030 1.00 32.14 H new ATOM 0 HB2 TYR A 67 9.038 -1.548 -3.130 1.00 45.31 H new ATOM 0 HB3 TYR A 67 8.551 -3.003 -3.976 1.00 45.31 H new ATOM 0 HD1 TYR A 67 10.689 -2.604 -0.919 1.00 22.43 H new ATOM 0 HD2 TYR A 67 7.056 -4.117 -2.553 1.00 62.10 H new ATOM 0 HE1 TYR A 67 10.173 -3.680 1.227 1.00 34.10 H new ATOM 0 HE2 TYR A 67 6.534 -5.186 -0.406 1.00 52.55 H new ATOM 0 HH TYR A 67 8.427 -4.580 2.471 1.00 24.14 H new ATOM 965 N ASN A 68 11.228 -2.558 -6.019 1.00 43.00 N ATOM 966 CA ASN A 68 11.305 -2.941 -7.424 1.00 41.41 C ATOM 967 C ASN A 68 9.911 -3.135 -8.012 1.00 44.12 C ATOM 968 O ASN A 68 9.751 -3.755 -9.065 1.00 71.31 O ATOM 969 CB ASN A 68 12.121 -4.227 -7.580 1.00 31.33 C ATOM 970 CG ASN A 68 13.387 -4.213 -6.745 1.00 22.11 C ATOM 971 OD1 ASN A 68 13.666 -5.157 -6.005 1.00 20.00 O ATOM 972 ND2 ASN A 68 14.160 -3.140 -6.861 1.00 14.43 N ATOM 0 H ASN A 68 11.620 -1.640 -5.810 1.00 43.00 H new ATOM 0 HA ASN A 68 11.800 -2.136 -7.968 1.00 41.41 H new ATOM 0 HB2 ASN A 68 11.508 -5.081 -7.291 1.00 31.33 H new ATOM 0 HB3 ASN A 68 12.383 -4.363 -8.629 1.00 31.33 H new ATOM 0 HD21 ASN A 68 15.025 -3.074 -6.324 1.00 14.43 H new ATOM 0 HD22 ASN A 68 13.889 -2.381 -7.487 1.00 14.43 H new ATOM 978 N ILE A 69 8.906 -2.601 -7.326 1.00 50.02 N ATOM 979 CA ILE A 69 7.526 -2.715 -7.781 1.00 12.13 C ATOM 980 C ILE A 69 7.158 -1.565 -8.713 1.00 24.41 C ATOM 981 O ILE A 69 7.815 -0.524 -8.718 1.00 3.03 O ATOM 982 CB ILE A 69 6.543 -2.735 -6.596 1.00 12.40 C ATOM 983 CG1 ILE A 69 6.685 -1.458 -5.765 1.00 15.32 C ATOM 984 CG2 ILE A 69 6.779 -3.965 -5.733 1.00 54.50 C ATOM 985 CD1 ILE A 69 5.658 -1.339 -4.661 1.00 11.34 C ATOM 0 H ILE A 69 9.022 -2.085 -6.454 1.00 50.02 H new ATOM 0 HA ILE A 69 7.449 -3.658 -8.323 1.00 12.13 H new ATOM 0 HB ILE A 69 5.526 -2.780 -6.987 1.00 12.40 H new ATOM 0 HG12 ILE A 69 7.683 -1.428 -5.327 1.00 15.32 H new ATOM 0 HG13 ILE A 69 6.600 -0.594 -6.424 1.00 15.32 H new ATOM 0 HG21 ILE A 69 6.077 -3.965 -4.900 1.00 54.50 H new ATOM 0 HG22 ILE A 69 6.631 -4.864 -6.332 1.00 54.50 H new ATOM 0 HG23 ILE A 69 7.799 -3.949 -5.348 1.00 54.50 H new ATOM 0 HD11 ILE A 69 5.819 -0.410 -4.113 1.00 11.34 H new ATOM 0 HD12 ILE A 69 4.657 -1.337 -5.093 1.00 11.34 H new ATOM 0 HD13 ILE A 69 5.757 -2.184 -3.980 1.00 11.34 H new ATOM 996 N GLN A 70 6.104 -1.760 -9.499 1.00 60.34 N ATOM 997 CA GLN A 70 5.649 -0.738 -10.433 1.00 15.22 C ATOM 998 C GLN A 70 4.138 -0.551 -10.341 1.00 32.22 C ATOM 999 O GLN A 70 3.367 -1.408 -10.772 1.00 41.41 O ATOM 1000 CB GLN A 70 6.041 -1.114 -11.863 1.00 70.32 C ATOM 1001 CG GLN A 70 7.476 -0.755 -12.215 1.00 11.04 C ATOM 1002 CD GLN A 70 7.776 -0.933 -13.690 1.00 64.30 C ATOM 1003 OE1 GLN A 70 7.006 -1.553 -14.422 1.00 31.10 O ATOM 1004 NE2 GLN A 70 8.903 -0.387 -14.134 1.00 40.11 N ATOM 0 H GLN A 70 5.550 -2.616 -9.507 1.00 60.34 H new ATOM 0 HA GLN A 70 6.131 0.203 -10.166 1.00 15.22 H new ATOM 0 HB2 GLN A 70 5.900 -2.186 -12.000 1.00 70.32 H new ATOM 0 HB3 GLN A 70 5.369 -0.612 -12.559 1.00 70.32 H new ATOM 0 HG2 GLN A 70 7.668 0.280 -11.931 1.00 11.04 H new ATOM 0 HG3 GLN A 70 8.156 -1.377 -11.632 1.00 11.04 H new ATOM 0 HE21 GLN A 70 9.512 0.119 -13.491 1.00 40.11 H new ATOM 0 HE22 GLN A 70 9.159 -0.474 -15.118 1.00 40.11 H new ATOM 1011 N LYS A 71 3.721 0.577 -9.774 1.00 55.52 N ATOM 1012 CA LYS A 71 2.302 0.879 -9.625 1.00 71.20 C ATOM 1013 C LYS A 71 1.943 2.174 -10.346 1.00 33.13 C ATOM 1014 O LYS A 71 0.915 2.789 -10.062 1.00 42.02 O ATOM 1015 CB LYS A 71 1.936 0.990 -8.143 1.00 1.21 C ATOM 1016 CG LYS A 71 2.942 1.782 -7.326 1.00 22.04 C ATOM 1017 CD LYS A 71 2.840 3.272 -7.609 1.00 73.42 C ATOM 1018 CE LYS A 71 2.845 4.084 -6.322 1.00 2.23 C ATOM 1019 NZ LYS A 71 1.492 4.613 -5.996 1.00 1.21 N ATOM 0 H LYS A 71 4.346 1.297 -9.410 1.00 55.52 H new ATOM 0 HA LYS A 71 1.734 0.064 -10.073 1.00 71.20 H new ATOM 0 HB2 LYS A 71 0.957 1.460 -8.053 1.00 1.21 H new ATOM 0 HB3 LYS A 71 1.848 -0.012 -7.723 1.00 1.21 H new ATOM 0 HG2 LYS A 71 2.774 1.600 -6.265 1.00 22.04 H new ATOM 0 HG3 LYS A 71 3.950 1.436 -7.553 1.00 22.04 H new ATOM 0 HD2 LYS A 71 3.673 3.582 -8.240 1.00 73.42 H new ATOM 0 HD3 LYS A 71 1.926 3.476 -8.166 1.00 73.42 H new ATOM 0 HE2 LYS A 71 3.199 3.461 -5.501 1.00 2.23 H new ATOM 0 HE3 LYS A 71 3.546 4.913 -6.418 1.00 2.23 H new ATOM 0 HZ1 LYS A 71 1.548 5.640 -5.844 1.00 1.21 H new ATOM 0 HZ2 LYS A 71 0.843 4.414 -6.784 1.00 1.21 H new ATOM 0 HZ3 LYS A 71 1.139 4.154 -5.132 1.00 1.21 H new ATOM 1029 N GLU A 72 2.795 2.582 -11.281 1.00 41.21 N ATOM 1030 CA GLU A 72 2.566 3.804 -12.043 1.00 53.21 C ATOM 1031 C GLU A 72 1.507 3.583 -13.120 1.00 52.44 C ATOM 1032 O GLU A 72 1.769 3.763 -14.309 1.00 22.40 O ATOM 1033 CB GLU A 72 3.869 4.283 -12.685 1.00 3.22 C ATOM 1034 CG GLU A 72 4.574 3.214 -13.503 1.00 65.11 C ATOM 1035 CD GLU A 72 5.666 3.783 -14.389 1.00 73.03 C ATOM 1036 OE1 GLU A 72 6.536 4.511 -13.867 1.00 72.43 O ATOM 1037 OE2 GLU A 72 5.651 3.498 -15.605 1.00 11.23 O ATOM 0 H GLU A 72 3.650 2.084 -11.529 1.00 41.21 H new ATOM 0 HA GLU A 72 2.206 4.569 -11.355 1.00 53.21 H new ATOM 0 HB2 GLU A 72 3.655 5.138 -13.327 1.00 3.22 H new ATOM 0 HB3 GLU A 72 4.542 4.633 -11.903 1.00 3.22 H new ATOM 0 HG2 GLU A 72 5.006 2.473 -12.830 1.00 65.11 H new ATOM 0 HG3 GLU A 72 3.843 2.694 -14.122 1.00 65.11 H new ATOM 1042 N SER A 73 0.311 3.190 -12.693 1.00 3.11 N ATOM 1043 CA SER A 73 -0.787 2.940 -13.621 1.00 73.14 C ATOM 1044 C SER A 73 -2.123 2.918 -12.885 1.00 0.22 C ATOM 1045 O SER A 73 -2.855 3.908 -12.873 1.00 12.11 O ATOM 1046 CB SER A 73 -0.571 1.613 -14.353 1.00 32.45 C ATOM 1047 OG SER A 73 0.231 1.792 -15.507 1.00 65.24 O ATOM 0 H SER A 73 0.077 3.038 -11.712 1.00 3.11 H new ATOM 0 HA SER A 73 -0.807 3.749 -14.351 1.00 73.14 H new ATOM 0 HB2 SER A 73 -0.095 0.898 -13.683 1.00 32.45 H new ATOM 0 HB3 SER A 73 -1.534 1.190 -14.638 1.00 32.45 H new ATOM 0 HG SER A 73 0.870 2.519 -15.352 1.00 65.24 H new ATOM 1052 N THR A 74 -2.436 1.779 -12.274 1.00 20.24 N ATOM 1053 CA THR A 74 -3.685 1.626 -11.538 1.00 52.21 C ATOM 1054 C THR A 74 -3.456 0.913 -10.210 1.00 72.53 C ATOM 1055 O THR A 74 -3.162 -0.283 -10.178 1.00 24.31 O ATOM 1056 CB THR A 74 -4.727 0.840 -12.356 1.00 5.12 C ATOM 1057 OG1 THR A 74 -4.390 0.882 -13.747 1.00 53.32 O ATOM 1058 CG2 THR A 74 -6.121 1.412 -12.150 1.00 53.02 C ATOM 0 H THR A 74 -1.842 0.950 -12.274 1.00 20.24 H new ATOM 0 HA THR A 74 -4.065 2.630 -11.348 1.00 52.21 H new ATOM 0 HB THR A 74 -4.722 -0.194 -12.012 1.00 5.12 H new ATOM 0 HG1 THR A 74 -5.056 0.379 -14.260 1.00 53.32 H new ATOM 0 HG21 THR A 74 -6.839 0.840 -12.738 1.00 53.02 H new ATOM 0 HG22 THR A 74 -6.386 1.352 -11.095 1.00 53.02 H new ATOM 0 HG23 THR A 74 -6.138 2.454 -12.470 1.00 53.02 H new ATOM 1066 N LEU A 75 -3.593 1.653 -9.115 1.00 14.02 N ATOM 1067 CA LEU A 75 -3.403 1.091 -7.782 1.00 5.41 C ATOM 1068 C LEU A 75 -4.556 1.472 -6.861 1.00 64.42 C ATOM 1069 O LEU A 75 -4.934 2.641 -6.772 1.00 53.11 O ATOM 1070 CB LEU A 75 -2.078 1.575 -7.189 1.00 55.50 C ATOM 1071 CG LEU A 75 -1.083 0.484 -6.791 1.00 41.03 C ATOM 1072 CD1 LEU A 75 -1.561 -0.246 -5.545 1.00 64.41 C ATOM 1073 CD2 LEU A 75 -0.877 -0.495 -7.937 1.00 14.45 C ATOM 0 H LEU A 75 -3.835 2.644 -9.124 1.00 14.02 H new ATOM 0 HA LEU A 75 -3.379 0.005 -7.871 1.00 5.41 H new ATOM 0 HB2 LEU A 75 -1.596 2.231 -7.914 1.00 55.50 H new ATOM 0 HB3 LEU A 75 -2.296 2.179 -6.308 1.00 55.50 H new ATOM 0 HG LEU A 75 -0.127 0.957 -6.567 1.00 41.03 H new ATOM 0 HD11 LEU A 75 -0.840 -1.019 -5.277 1.00 64.41 H new ATOM 0 HD12 LEU A 75 -1.656 0.463 -4.722 1.00 64.41 H new ATOM 0 HD13 LEU A 75 -2.529 -0.706 -5.742 1.00 64.41 H new ATOM 0 HD21 LEU A 75 -0.166 -1.264 -7.635 1.00 14.45 H new ATOM 0 HD22 LEU A 75 -1.829 -0.961 -8.193 1.00 14.45 H new ATOM 0 HD23 LEU A 75 -0.489 0.038 -8.805 1.00 14.45 H new ATOM 1084 N HIS A 76 -5.110 0.478 -6.173 1.00 0.11 N ATOM 1085 CA HIS A 76 -6.220 0.710 -5.254 1.00 41.23 C ATOM 1086 C HIS A 76 -5.845 0.297 -3.834 1.00 45.24 C ATOM 1087 O HIS A 76 -5.769 -0.893 -3.522 1.00 24.44 O ATOM 1088 CB HIS A 76 -7.458 -0.061 -5.712 1.00 63.33 C ATOM 1089 CG HIS A 76 -7.673 -0.024 -7.193 1.00 12.30 C ATOM 1090 ND1 HIS A 76 -8.344 -1.013 -7.881 1.00 25.01 N ATOM 1091 CD2 HIS A 76 -7.302 0.891 -8.119 1.00 33.24 C ATOM 1092 CE1 HIS A 76 -8.375 -0.708 -9.167 1.00 41.02 C ATOM 1093 NE2 HIS A 76 -7.750 0.443 -9.337 1.00 53.42 N ATOM 0 H HIS A 76 -4.809 -0.495 -6.234 1.00 0.11 H new ATOM 0 HA HIS A 76 -6.444 1.777 -5.256 1.00 41.23 H new ATOM 0 HB2 HIS A 76 -7.368 -1.099 -5.392 1.00 63.33 H new ATOM 0 HB3 HIS A 76 -8.337 0.351 -5.215 1.00 63.33 H new ATOM 0 HD1 HIS A 76 -8.752 -1.849 -7.463 1.00 25.01 H new ATOM 0 HD2 HIS A 76 -6.755 1.804 -7.934 1.00 33.24 H new ATOM 0 HE1 HIS A 76 -8.833 -1.299 -9.946 1.00 41.02 H new ATOM 1100 N LEU A 77 -5.609 1.285 -2.979 1.00 62.32 N ATOM 1101 CA LEU A 77 -5.241 1.024 -1.591 1.00 63.24 C ATOM 1102 C LEU A 77 -6.076 1.872 -0.637 1.00 54.53 C ATOM 1103 O LEU A 77 -5.763 3.036 -0.387 1.00 53.33 O ATOM 1104 CB LEU A 77 -3.754 1.310 -1.375 1.00 2.44 C ATOM 1105 CG LEU A 77 -3.243 2.649 -1.908 1.00 3.04 C ATOM 1106 CD1 LEU A 77 -2.175 3.217 -0.988 1.00 4.13 C ATOM 1107 CD2 LEU A 77 -2.702 2.489 -3.322 1.00 34.32 C ATOM 0 H LEU A 77 -5.666 2.274 -3.221 1.00 62.32 H new ATOM 0 HA LEU A 77 -5.438 -0.027 -1.381 1.00 63.24 H new ATOM 0 HB2 LEU A 77 -3.548 1.265 -0.306 1.00 2.44 H new ATOM 0 HB3 LEU A 77 -3.179 0.512 -1.845 1.00 2.44 H new ATOM 0 HG LEU A 77 -4.078 3.349 -1.937 1.00 3.04 H new ATOM 0 HD11 LEU A 77 -1.823 4.170 -1.384 1.00 4.13 H new ATOM 0 HD12 LEU A 77 -2.595 3.370 0.006 1.00 4.13 H new ATOM 0 HD13 LEU A 77 -1.340 2.519 -0.926 1.00 4.13 H new ATOM 0 HD21 LEU A 77 -2.343 3.452 -3.685 1.00 34.32 H new ATOM 0 HD22 LEU A 77 -1.880 1.773 -3.318 1.00 34.32 H new ATOM 0 HD23 LEU A 77 -3.495 2.127 -3.976 1.00 34.32 H new ATOM 1118 N VAL A 78 -7.141 1.279 -0.105 1.00 52.34 N ATOM 1119 CA VAL A 78 -8.020 1.978 0.824 1.00 61.31 C ATOM 1120 C VAL A 78 -8.633 1.012 1.832 1.00 34.52 C ATOM 1121 O VAL A 78 -9.097 -0.070 1.469 1.00 64.00 O ATOM 1122 CB VAL A 78 -9.151 2.714 0.081 1.00 33.50 C ATOM 1123 CG1 VAL A 78 -9.891 3.649 1.026 1.00 41.44 C ATOM 1124 CG2 VAL A 78 -8.595 3.478 -1.111 1.00 53.30 C ATOM 0 H VAL A 78 -7.415 0.316 -0.302 1.00 52.34 H new ATOM 0 HA VAL A 78 -7.407 2.709 1.351 1.00 61.31 H new ATOM 0 HB VAL A 78 -9.861 1.974 -0.289 1.00 33.50 H new ATOM 0 HG11 VAL A 78 -10.686 4.160 0.483 1.00 41.44 H new ATOM 0 HG12 VAL A 78 -10.323 3.073 1.844 1.00 41.44 H new ATOM 0 HG13 VAL A 78 -9.195 4.385 1.428 1.00 41.44 H new ATOM 0 HG21 VAL A 78 -9.407 3.992 -1.625 1.00 53.30 H new ATOM 0 HG22 VAL A 78 -7.864 4.209 -0.766 1.00 53.30 H new ATOM 0 HG23 VAL A 78 -8.115 2.781 -1.798 1.00 53.30 H new ATOM 1134 N LEU A 79 -8.634 1.411 3.099 1.00 54.13 N ATOM 1135 CA LEU A 79 -9.192 0.580 4.162 1.00 40.30 C ATOM 1136 C LEU A 79 -10.412 1.245 4.789 1.00 21.44 C ATOM 1137 O LEU A 79 -10.300 2.287 5.436 1.00 72.35 O ATOM 1138 CB LEU A 79 -8.135 0.312 5.235 1.00 32.23 C ATOM 1139 CG LEU A 79 -8.572 -0.574 6.401 1.00 42.30 C ATOM 1140 CD1 LEU A 79 -9.009 -1.942 5.898 1.00 60.10 C ATOM 1141 CD2 LEU A 79 -7.448 -0.712 7.417 1.00 11.41 C ATOM 0 H LEU A 79 -8.255 2.304 3.416 1.00 54.13 H new ATOM 0 HA LEU A 79 -9.503 -0.368 3.723 1.00 40.30 H new ATOM 0 HB2 LEU A 79 -7.271 -0.150 4.758 1.00 32.23 H new ATOM 0 HB3 LEU A 79 -7.803 1.269 5.637 1.00 32.23 H new ATOM 0 HG LEU A 79 -9.423 -0.101 6.892 1.00 42.30 H new ATOM 0 HD11 LEU A 79 -9.317 -2.559 6.742 1.00 60.10 H new ATOM 0 HD12 LEU A 79 -9.846 -1.826 5.209 1.00 60.10 H new ATOM 0 HD13 LEU A 79 -8.178 -2.422 5.382 1.00 60.10 H new ATOM 0 HD21 LEU A 79 -7.777 -1.346 8.240 1.00 11.41 H new ATOM 0 HD22 LEU A 79 -6.578 -1.161 6.938 1.00 11.41 H new ATOM 0 HD23 LEU A 79 -7.182 0.273 7.802 1.00 11.41 H new ATOM 1152 N ARG A 80 -11.578 0.637 4.594 1.00 61.55 N ATOM 1153 CA ARG A 80 -12.819 1.171 5.142 1.00 71.15 C ATOM 1154 C ARG A 80 -12.926 2.671 4.886 1.00 62.23 C ATOM 1155 O ARG A 80 -12.823 3.478 5.811 1.00 62.12 O ATOM 1156 CB ARG A 80 -12.900 0.891 6.644 1.00 21.41 C ATOM 1157 CG ARG A 80 -14.319 0.910 7.191 1.00 63.32 C ATOM 1158 CD ARG A 80 -14.568 -0.259 8.131 1.00 32.12 C ATOM 1159 NE ARG A 80 -13.580 -0.318 9.206 1.00 0.42 N ATOM 1160 CZ ARG A 80 -13.460 -1.347 10.037 1.00 22.40 C ATOM 1161 NH1 ARG A 80 -14.262 -2.396 9.919 1.00 61.32 N ATOM 1162 NH2 ARG A 80 -12.536 -1.328 10.989 1.00 63.32 N ATOM 0 H ARG A 80 -11.689 -0.225 4.061 1.00 61.55 H new ATOM 0 HA ARG A 80 -13.651 0.675 4.642 1.00 71.15 H new ATOM 0 HB2 ARG A 80 -12.454 -0.082 6.848 1.00 21.41 H new ATOM 0 HB3 ARG A 80 -12.304 1.633 7.176 1.00 21.41 H new ATOM 0 HG2 ARG A 80 -14.494 1.847 7.719 1.00 63.32 H new ATOM 0 HG3 ARG A 80 -15.029 0.872 6.365 1.00 63.32 H new ATOM 0 HD2 ARG A 80 -15.566 -0.172 8.560 1.00 32.12 H new ATOM 0 HD3 ARG A 80 -14.544 -1.190 7.565 1.00 32.12 H new ATOM 0 HE ARG A 80 -12.948 0.474 9.325 1.00 0.42 H new ATOM 0 HH11 ARG A 80 -14.974 -2.414 9.188 1.00 61.32 H new ATOM 0 HH12 ARG A 80 -14.167 -3.185 10.559 1.00 61.32 H new ATOM 0 HH21 ARG A 80 -11.917 -0.523 11.083 1.00 63.32 H new ATOM 0 HH22 ARG A 80 -12.445 -2.119 11.627 1.00 63.32 H new ATOM 1173 N LEU A 81 -13.133 3.038 3.627 1.00 24.12 N ATOM 1174 CA LEU A 81 -13.253 4.442 3.249 1.00 24.23 C ATOM 1175 C LEU A 81 -14.269 5.159 4.132 1.00 13.20 C ATOM 1176 O LEU A 81 -15.011 4.524 4.882 1.00 12.03 O ATOM 1177 CB LEU A 81 -13.661 4.561 1.780 1.00 31.33 C ATOM 1178 CG LEU A 81 -15.120 4.232 1.459 1.00 71.15 C ATOM 1179 CD1 LEU A 81 -15.549 2.961 2.178 1.00 32.33 C ATOM 1180 CD2 LEU A 81 -16.025 5.393 1.840 1.00 22.53 C ATOM 0 H LEU A 81 -13.221 2.383 2.850 1.00 24.12 H new ATOM 0 HA LEU A 81 -12.281 4.915 3.389 1.00 24.23 H new ATOM 0 HB2 LEU A 81 -13.458 5.579 1.449 1.00 31.33 H new ATOM 0 HB3 LEU A 81 -13.023 3.901 1.192 1.00 31.33 H new ATOM 0 HG LEU A 81 -15.208 4.067 0.385 1.00 71.15 H new ATOM 0 HD11 LEU A 81 -16.589 2.741 1.939 1.00 32.33 H new ATOM 0 HD12 LEU A 81 -14.920 2.131 1.857 1.00 32.33 H new ATOM 0 HD13 LEU A 81 -15.446 3.099 3.254 1.00 32.33 H new ATOM 0 HD21 LEU A 81 -17.059 5.141 1.604 1.00 22.53 H new ATOM 0 HD22 LEU A 81 -15.934 5.590 2.908 1.00 22.53 H new ATOM 0 HD23 LEU A 81 -15.732 6.282 1.281 1.00 22.53 H new ATOM 1191 N ARG A 82 -14.300 6.484 4.034 1.00 71.12 N ATOM 1192 CA ARG A 82 -15.226 7.286 4.823 1.00 20.44 C ATOM 1193 C ARG A 82 -15.681 8.515 4.043 1.00 25.35 C ATOM 1194 O ARG A 82 -14.948 9.037 3.202 1.00 74.43 O ATOM 1195 CB ARG A 82 -14.571 7.717 6.137 1.00 12.34 C ATOM 1196 CG ARG A 82 -13.167 8.272 5.963 1.00 70.23 C ATOM 1197 CD ARG A 82 -12.663 8.922 7.243 1.00 40.43 C ATOM 1198 NE ARG A 82 -13.121 10.302 7.373 1.00 61.34 N ATOM 1199 CZ ARG A 82 -13.033 11.003 8.498 1.00 62.24 C ATOM 1200 NH1 ARG A 82 -12.506 10.455 9.584 1.00 61.40 N ATOM 1201 NH2 ARG A 82 -13.472 12.255 8.538 1.00 42.34 N ATOM 0 H ARG A 82 -13.695 7.024 3.416 1.00 71.12 H new ATOM 0 HA ARG A 82 -16.100 6.673 5.045 1.00 20.44 H new ATOM 0 HB2 ARG A 82 -15.195 8.473 6.614 1.00 12.34 H new ATOM 0 HB3 ARG A 82 -14.534 6.862 6.812 1.00 12.34 H new ATOM 0 HG2 ARG A 82 -12.491 7.469 5.671 1.00 70.23 H new ATOM 0 HG3 ARG A 82 -13.161 9.004 5.155 1.00 70.23 H new ATOM 0 HD2 ARG A 82 -13.005 8.344 8.102 1.00 40.43 H new ATOM 0 HD3 ARG A 82 -11.573 8.899 7.257 1.00 40.43 H new ATOM 0 HE ARG A 82 -13.531 10.753 6.555 1.00 61.34 H new ATOM 0 HH11 ARG A 82 -12.167 9.493 9.557 1.00 61.40 H new ATOM 0 HH12 ARG A 82 -12.439 10.995 10.447 1.00 61.40 H new ATOM 0 HH21 ARG A 82 -13.878 12.680 7.704 1.00 42.34 H new ATOM 0 HH22 ARG A 82 -13.404 12.792 9.403 1.00 42.34 H new ATOM 1212 N GLY A 83 -16.896 8.976 4.327 1.00 41.32 N ATOM 1213 CA GLY A 83 -17.428 10.139 3.642 1.00 32.42 C ATOM 1214 C GLY A 83 -16.683 11.411 3.996 1.00 60.54 C ATOM 1215 O GLY A 83 -16.759 11.888 5.129 1.00 41.30 O ATOM 0 H GLY A 83 -17.521 8.564 5.020 1.00 41.32 H new ATOM 0 HA2 GLY A 83 -17.375 9.978 2.565 1.00 32.42 H new ATOM 0 HA3 GLY A 83 -18.482 10.256 3.896 1.00 32.42 H new ATOM 1219 N TYR A 84 -15.960 11.961 3.027 1.00 40.45 N ATOM 1220 CA TYR A 84 -15.194 13.182 3.243 1.00 21.23 C ATOM 1221 C TYR A 84 -16.041 14.416 2.943 1.00 41.40 C ATOM 1222 O TYR A 84 -17.016 14.346 2.197 1.00 14.32 O ATOM 1223 CB TYR A 84 -13.940 13.184 2.367 1.00 22.44 C ATOM 1224 CG TYR A 84 -14.233 13.049 0.890 1.00 54.40 C ATOM 1225 CD1 TYR A 84 -14.574 14.157 0.124 1.00 64.33 C ATOM 1226 CD2 TYR A 84 -14.170 11.812 0.260 1.00 71.42 C ATOM 1227 CE1 TYR A 84 -14.842 14.038 -1.225 1.00 52.21 C ATOM 1228 CE2 TYR A 84 -14.436 11.683 -1.089 1.00 21.14 C ATOM 1229 CZ TYR A 84 -14.773 12.799 -1.828 1.00 41.15 C ATOM 1230 OH TYR A 84 -15.039 12.675 -3.171 1.00 13.54 O ATOM 0 H TYR A 84 -15.888 11.580 2.084 1.00 40.45 H new ATOM 0 HA TYR A 84 -14.896 13.214 4.291 1.00 21.23 H new ATOM 0 HB2 TYR A 84 -13.390 14.110 2.537 1.00 22.44 H new ATOM 0 HB3 TYR A 84 -13.290 12.366 2.676 1.00 22.44 H new ATOM 0 HD1 TYR A 84 -14.630 15.129 0.592 1.00 64.33 H new ATOM 0 HD2 TYR A 84 -13.908 10.936 0.835 1.00 71.42 H new ATOM 0 HE1 TYR A 84 -15.104 14.910 -1.805 1.00 52.21 H new ATOM 0 HE2 TYR A 84 -14.381 10.714 -1.563 1.00 21.14 H new ATOM 0 HH TYR A 84 -14.945 11.737 -3.438 1.00 13.54 H new ATOM 1239 N ALA A 85 -15.658 15.545 3.530 1.00 4.01 N ATOM 1240 CA ALA A 85 -16.378 16.795 3.325 1.00 1.35 C ATOM 1241 C ALA A 85 -15.704 17.945 4.065 1.00 11.11 C ATOM 1242 O ALA A 85 -16.264 18.501 5.010 1.00 40.01 O ATOM 1243 CB ALA A 85 -17.824 16.651 3.774 1.00 71.32 C ATOM 0 H ALA A 85 -14.853 15.619 4.152 1.00 4.01 H new ATOM 0 HA ALA A 85 -16.361 17.024 2.260 1.00 1.35 H new ATOM 0 HB1 ALA A 85 -18.350 17.592 3.615 1.00 71.32 H new ATOM 0 HB2 ALA A 85 -18.308 15.863 3.196 1.00 71.32 H new ATOM 0 HB3 ALA A 85 -17.852 16.394 4.833 1.00 71.32 H new ATOM 1249 N ASP A 86 -14.499 18.297 3.630 1.00 34.03 N ATOM 1250 CA ASP A 86 -13.748 19.382 4.251 1.00 22.14 C ATOM 1251 C ASP A 86 -13.043 20.229 3.197 1.00 1.31 C ATOM 1252 O ASP A 86 -12.416 19.699 2.278 1.00 2.43 O ATOM 1253 CB ASP A 86 -12.726 18.822 5.241 1.00 53.03 C ATOM 1254 CG ASP A 86 -13.310 18.622 6.626 1.00 1.42 C ATOM 1255 OD1 ASP A 86 -13.692 19.628 7.259 1.00 62.44 O ATOM 1256 OD2 ASP A 86 -13.386 17.460 7.075 1.00 33.11 O ATOM 0 H ASP A 86 -14.021 17.847 2.849 1.00 34.03 H new ATOM 0 HA ASP A 86 -14.453 20.017 4.788 1.00 22.14 H new ATOM 0 HB2 ASP A 86 -12.348 17.870 4.869 1.00 53.03 H new ATOM 0 HB3 ASP A 86 -11.875 19.501 5.303 1.00 53.03 H new ATOM 1260 N LEU A 87 -13.150 21.546 3.334 1.00 42.35 N ATOM 1261 CA LEU A 87 -12.522 22.466 2.392 1.00 71.01 C ATOM 1262 C LEU A 87 -11.277 23.104 3.001 1.00 72.32 C ATOM 1263 O LEU A 87 -10.390 23.565 2.284 1.00 41.04 O ATOM 1264 CB LEU A 87 -13.513 23.553 1.973 1.00 35.30 C ATOM 1265 CG LEU A 87 -14.894 23.067 1.531 1.00 32.30 C ATOM 1266 CD1 LEU A 87 -15.815 22.913 2.732 1.00 50.40 C ATOM 1267 CD2 LEU A 87 -15.497 24.026 0.515 1.00 33.11 C ATOM 0 H LEU A 87 -13.665 22.001 4.088 1.00 42.35 H new ATOM 0 HA LEU A 87 -12.222 21.897 1.512 1.00 71.01 H new ATOM 0 HB2 LEU A 87 -13.642 24.241 2.809 1.00 35.30 H new ATOM 0 HB3 LEU A 87 -13.072 24.124 1.156 1.00 35.30 H new ATOM 0 HG LEU A 87 -14.780 22.092 1.058 1.00 32.30 H new ATOM 0 HD11 LEU A 87 -16.793 22.566 2.398 1.00 50.40 H new ATOM 0 HD12 LEU A 87 -15.390 22.187 3.426 1.00 50.40 H new ATOM 0 HD13 LEU A 87 -15.923 23.875 3.234 1.00 50.40 H new ATOM 0 HD21 LEU A 87 -16.479 23.664 0.212 1.00 33.11 H new ATOM 0 HD22 LEU A 87 -15.597 25.015 0.963 1.00 33.11 H new ATOM 0 HD23 LEU A 87 -14.847 24.087 -0.358 1.00 33.11 H new ATOM 1278 N ARG A 88 -11.220 23.127 4.329 1.00 2.31 N ATOM 1279 CA ARG A 88 -10.084 23.707 5.035 1.00 44.10 C ATOM 1280 C ARG A 88 -9.304 22.632 5.786 1.00 32.34 C ATOM 1281 O ARG A 88 -8.079 22.562 5.694 1.00 21.05 O ATOM 1282 CB ARG A 88 -10.560 24.785 6.011 1.00 65.04 C ATOM 1283 CG ARG A 88 -11.731 24.348 6.876 1.00 23.32 C ATOM 1284 CD ARG A 88 -12.263 25.500 7.715 1.00 40.22 C ATOM 1285 NE ARG A 88 -11.190 26.231 8.384 1.00 54.24 N ATOM 1286 CZ ARG A 88 -10.553 25.781 9.460 1.00 3.22 C ATOM 1287 NH1 ARG A 88 -10.879 24.608 9.984 1.00 41.02 N ATOM 1288 NH2 ARG A 88 -9.588 26.504 10.011 1.00 24.21 N ATOM 0 H ARG A 88 -11.947 22.751 4.937 1.00 2.31 H new ATOM 0 HA ARG A 88 -9.423 24.161 4.297 1.00 44.10 H new ATOM 0 HB2 ARG A 88 -9.729 25.072 6.656 1.00 65.04 H new ATOM 0 HB3 ARG A 88 -10.847 25.673 5.447 1.00 65.04 H new ATOM 0 HG2 ARG A 88 -12.528 23.959 6.242 1.00 23.32 H new ATOM 0 HG3 ARG A 88 -11.418 23.534 7.530 1.00 23.32 H new ATOM 0 HD2 ARG A 88 -12.825 26.183 7.078 1.00 40.22 H new ATOM 0 HD3 ARG A 88 -12.959 25.115 8.460 1.00 40.22 H new ATOM 0 HE ARG A 88 -10.914 27.137 8.004 1.00 54.24 H new ATOM 0 HH11 ARG A 88 -11.620 24.049 9.561 1.00 41.02 H new ATOM 0 HH12 ARG A 88 -10.389 24.264 10.810 1.00 41.02 H new ATOM 0 HH21 ARG A 88 -9.334 27.406 9.609 1.00 24.21 H new ATOM 0 HH22 ARG A 88 -9.100 26.158 10.837 1.00 24.21 H new ATOM 1299 N GLU A 89 -10.023 21.798 6.531 1.00 1.24 N ATOM 1300 CA GLU A 89 -9.398 20.728 7.299 1.00 30.43 C ATOM 1301 C GLU A 89 -8.752 19.700 6.375 1.00 22.31 C ATOM 1302 O GLU A 89 -9.436 18.865 5.784 1.00 70.31 O ATOM 1303 CB GLU A 89 -10.430 20.046 8.198 1.00 50.42 C ATOM 1304 CG GLU A 89 -9.845 19.497 9.488 1.00 74.13 C ATOM 1305 CD GLU A 89 -10.882 19.359 10.587 1.00 52.42 C ATOM 1306 OE1 GLU A 89 -11.908 20.068 10.525 1.00 31.41 O ATOM 1307 OE2 GLU A 89 -10.667 18.543 11.507 1.00 32.33 O ATOM 0 H GLU A 89 -11.038 21.843 6.619 1.00 1.24 H new ATOM 0 HA GLU A 89 -8.620 21.169 7.922 1.00 30.43 H new ATOM 0 HB2 GLU A 89 -11.217 20.760 8.441 1.00 50.42 H new ATOM 0 HB3 GLU A 89 -10.899 19.231 7.646 1.00 50.42 H new ATOM 0 HG2 GLU A 89 -9.396 18.523 9.293 1.00 74.13 H new ATOM 0 HG3 GLU A 89 -9.045 20.155 9.829 1.00 74.13 H new ATOM 1312 N ASP A 90 -7.430 19.769 6.255 1.00 14.11 N ATOM 1313 CA ASP A 90 -6.692 18.845 5.404 1.00 5.40 C ATOM 1314 C ASP A 90 -5.213 18.827 5.777 1.00 41.34 C ATOM 1315 O ASP A 90 -4.698 19.742 6.419 1.00 43.24 O ATOM 1316 CB ASP A 90 -6.854 19.232 3.932 1.00 43.02 C ATOM 1317 CG ASP A 90 -8.055 18.569 3.289 1.00 35.34 C ATOM 1318 OD1 ASP A 90 -8.382 17.428 3.677 1.00 33.53 O ATOM 1319 OD2 ASP A 90 -8.669 19.191 2.396 1.00 10.53 O ATOM 0 H ASP A 90 -6.849 20.455 6.736 1.00 14.11 H new ATOM 0 HA ASP A 90 -7.100 17.846 5.556 1.00 5.40 H new ATOM 0 HB2 ASP A 90 -6.954 20.314 3.853 1.00 43.02 H new ATOM 0 HB3 ASP A 90 -5.953 18.954 3.385 1.00 43.02 H new ATOM 1323 N PRO A 91 -4.511 17.759 5.367 1.00 15.14 N ATOM 1324 CA PRO A 91 -3.082 17.595 5.648 1.00 43.42 C ATOM 1325 C PRO A 91 -2.221 18.582 4.867 1.00 62.44 C ATOM 1326 O PRO A 91 -2.519 18.908 3.718 1.00 71.41 O ATOM 1327 CB PRO A 91 -2.794 16.161 5.195 1.00 72.44 C ATOM 1328 CG PRO A 91 -3.834 15.871 4.170 1.00 2.11 C ATOM 1329 CD PRO A 91 -5.060 16.630 4.596 1.00 34.20 C ATOM 0 HA PRO A 91 -2.849 17.781 6.696 1.00 43.42 H new ATOM 0 HB2 PRO A 91 -1.791 16.072 4.777 1.00 72.44 H new ATOM 0 HB3 PRO A 91 -2.855 15.462 6.030 1.00 72.44 H new ATOM 0 HG2 PRO A 91 -3.504 16.186 3.180 1.00 2.11 H new ATOM 0 HG3 PRO A 91 -4.038 14.802 4.113 1.00 2.11 H new ATOM 0 HD2 PRO A 91 -5.639 16.973 3.738 1.00 34.20 H new ATOM 0 HD3 PRO A 91 -5.724 16.014 5.203 1.00 34.20 H new ATOM 1334 N ASP A 92 -1.152 19.056 5.499 1.00 53.53 N ATOM 1335 CA ASP A 92 -0.247 20.005 4.863 1.00 64.21 C ATOM 1336 C ASP A 92 0.952 20.298 5.761 1.00 31.25 C ATOM 1337 O ASP A 92 0.794 20.743 6.898 1.00 54.40 O ATOM 1338 CB ASP A 92 -0.984 21.305 4.536 1.00 13.44 C ATOM 1339 CG ASP A 92 -0.063 22.364 3.963 1.00 60.51 C ATOM 1340 OD1 ASP A 92 1.063 22.014 3.552 1.00 12.41 O ATOM 1341 OD2 ASP A 92 -0.469 23.545 3.927 1.00 4.33 O ATOM 0 H ASP A 92 -0.892 18.798 6.451 1.00 53.53 H new ATOM 0 HA ASP A 92 0.115 19.559 3.937 1.00 64.21 H new ATOM 0 HB2 ASP A 92 -1.782 21.097 3.823 1.00 13.44 H new ATOM 0 HB3 ASP A 92 -1.456 21.689 5.440 1.00 13.44 H new ATOM 1345 N ARG A 93 2.149 20.045 5.242 1.00 21.33 N ATOM 1346 CA ARG A 93 3.373 20.280 5.998 1.00 4.42 C ATOM 1347 C ARG A 93 4.236 21.341 5.320 1.00 34.32 C ATOM 1348 O ARG A 93 4.384 22.451 5.831 1.00 41.01 O ATOM 1349 CB ARG A 93 4.166 18.979 6.141 1.00 2.22 C ATOM 1350 CG ARG A 93 3.356 17.833 6.726 1.00 25.24 C ATOM 1351 CD ARG A 93 2.763 18.203 8.076 1.00 22.22 C ATOM 1352 NE ARG A 93 3.796 18.524 9.058 1.00 35.41 N ATOM 1353 CZ ARG A 93 3.557 18.657 10.358 1.00 22.20 C ATOM 1354 NH1 ARG A 93 2.328 18.498 10.830 1.00 55.54 N ATOM 1355 NH2 ARG A 93 4.549 18.950 11.189 1.00 44.20 N ATOM 0 H ARG A 93 2.297 19.678 4.302 1.00 21.33 H new ATOM 0 HA ARG A 93 3.095 20.640 6.988 1.00 4.42 H new ATOM 0 HB2 ARG A 93 4.543 18.684 5.162 1.00 2.22 H new ATOM 0 HB3 ARG A 93 5.034 19.160 6.775 1.00 2.22 H new ATOM 0 HG2 ARG A 93 2.555 17.563 6.037 1.00 25.24 H new ATOM 0 HG3 ARG A 93 3.992 16.955 6.835 1.00 25.24 H new ATOM 0 HD2 ARG A 93 2.097 19.058 7.958 1.00 22.22 H new ATOM 0 HD3 ARG A 93 2.157 17.376 8.445 1.00 22.22 H new ATOM 0 HE ARG A 93 4.752 18.653 8.728 1.00 35.41 H new ATOM 0 HH11 ARG A 93 1.563 18.273 10.194 1.00 55.54 H new ATOM 0 HH12 ARG A 93 2.148 18.601 11.829 1.00 55.54 H new ATOM 0 HH21 ARG A 93 5.496 19.073 10.830 1.00 44.20 H new ATOM 0 HH22 ARG A 93 4.365 19.052 12.187 1.00 44.20 H new ATOM 1366 N GLN A 94 4.800 20.992 4.169 1.00 54.32 N ATOM 1367 CA GLN A 94 5.648 21.914 3.423 1.00 34.42 C ATOM 1368 C GLN A 94 5.921 21.388 2.019 1.00 3.20 C ATOM 1369 O GLN A 94 5.456 20.310 1.647 1.00 62.12 O ATOM 1370 CB GLN A 94 6.968 22.139 4.163 1.00 52.10 C ATOM 1371 CG GLN A 94 7.839 20.896 4.244 1.00 40.41 C ATOM 1372 CD GLN A 94 9.073 21.103 5.101 1.00 10.22 C ATOM 1373 OE1 GLN A 94 9.260 20.426 6.112 1.00 64.05 O ATOM 1374 NE2 GLN A 94 9.922 22.042 4.700 1.00 53.53 N ATOM 0 H GLN A 94 4.685 20.077 3.732 1.00 54.32 H new ATOM 0 HA GLN A 94 5.121 22.864 3.338 1.00 34.42 H new ATOM 0 HB2 GLN A 94 7.525 22.931 3.663 1.00 52.10 H new ATOM 0 HB3 GLN A 94 6.754 22.489 5.173 1.00 52.10 H new ATOM 0 HG2 GLN A 94 7.253 20.072 4.651 1.00 40.41 H new ATOM 0 HG3 GLN A 94 8.144 20.604 3.239 1.00 40.41 H new ATOM 0 HE21 GLN A 94 9.727 22.579 3.855 1.00 53.53 H new ATOM 0 HE22 GLN A 94 10.770 22.226 5.237 1.00 53.53 H new ATOM 1381 N ASP A 95 6.680 22.154 1.242 1.00 13.23 N ATOM 1382 CA ASP A 95 7.016 21.765 -0.122 1.00 52.42 C ATOM 1383 C ASP A 95 8.366 22.342 -0.534 1.00 2.40 C ATOM 1384 O ASP A 95 8.992 23.086 0.221 1.00 0.11 O ATOM 1385 CB ASP A 95 5.930 22.232 -1.092 1.00 60.35 C ATOM 1386 CG ASP A 95 5.648 23.717 -0.973 1.00 20.13 C ATOM 1387 OD1 ASP A 95 6.597 24.515 -1.121 1.00 52.34 O ATOM 1388 OD2 ASP A 95 4.478 24.082 -0.731 1.00 51.40 O ATOM 0 H ASP A 95 7.074 23.048 1.534 1.00 13.23 H new ATOM 0 HA ASP A 95 7.079 20.677 -0.158 1.00 52.42 H new ATOM 0 HB2 ASP A 95 6.236 22.004 -2.113 1.00 60.35 H new ATOM 0 HB3 ASP A 95 5.013 21.674 -0.902 1.00 60.35 H new ATOM 1392 N HIS A 96 8.811 21.993 -1.738 1.00 73.05 N ATOM 1393 CA HIS A 96 10.088 22.476 -2.251 1.00 31.10 C ATOM 1394 C HIS A 96 9.880 23.380 -3.462 1.00 52.41 C ATOM 1395 O HIS A 96 9.095 23.065 -4.357 1.00 53.55 O ATOM 1396 CB HIS A 96 10.989 21.298 -2.626 1.00 23.43 C ATOM 1397 CG HIS A 96 12.433 21.671 -2.769 1.00 22.41 C ATOM 1398 ND1 HIS A 96 13.348 21.543 -1.745 1.00 31.05 N ATOM 1399 CD2 HIS A 96 13.119 22.170 -3.825 1.00 75.03 C ATOM 1400 CE1 HIS A 96 14.533 21.949 -2.164 1.00 43.43 C ATOM 1401 NE2 HIS A 96 14.422 22.333 -3.423 1.00 35.01 N ATOM 0 H HIS A 96 8.306 21.378 -2.376 1.00 73.05 H new ATOM 0 HA HIS A 96 10.571 23.057 -1.466 1.00 31.10 H new ATOM 0 HB2 HIS A 96 10.896 20.523 -1.865 1.00 23.43 H new ATOM 0 HB3 HIS A 96 10.639 20.867 -3.564 1.00 23.43 H new ATOM 0 HD2 HIS A 96 12.716 22.397 -4.801 1.00 75.03 H new ATOM 0 HE1 HIS A 96 15.439 21.964 -1.577 1.00 43.43 H new ATOM 0 HE2 HIS A 96 15.181 22.692 -4.002 1.00 35.01 H new ATOM 1408 N HIS A 97 10.588 24.504 -3.484 1.00 44.30 N ATOM 1409 CA HIS A 97 10.481 25.453 -4.587 1.00 71.42 C ATOM 1410 C HIS A 97 11.809 25.579 -5.327 1.00 33.14 C ATOM 1411 O HIS A 97 12.871 25.238 -4.808 1.00 52.32 O ATOM 1412 CB HIS A 97 10.042 26.823 -4.067 1.00 13.43 C ATOM 1413 CG HIS A 97 8.566 27.057 -4.167 1.00 33.01 C ATOM 1414 ND1 HIS A 97 8.018 28.131 -4.836 1.00 52.33 N ATOM 1415 CD2 HIS A 97 7.522 26.347 -3.678 1.00 73.32 C ATOM 1416 CE1 HIS A 97 6.700 28.072 -4.753 1.00 5.22 C ATOM 1417 NE2 HIS A 97 6.375 26.999 -4.056 1.00 55.11 N ATOM 0 H HIS A 97 11.242 24.780 -2.751 1.00 44.30 H new ATOM 0 HA HIS A 97 9.731 25.079 -5.284 1.00 71.42 H new ATOM 0 HB2 HIS A 97 10.347 26.922 -3.025 1.00 13.43 H new ATOM 0 HB3 HIS A 97 10.563 27.599 -4.627 1.00 13.43 H new ATOM 0 HD2 HIS A 97 7.581 25.437 -3.099 1.00 73.32 H new ATOM 0 HE1 HIS A 97 6.007 28.781 -5.182 1.00 5.22 H new ATOM 0 HE2 HIS A 97 5.425 26.702 -3.834 1.00 55.11 H new ATOM 1424 N PRO A 98 11.749 26.080 -6.571 1.00 75.23 N ATOM 1425 CA PRO A 98 12.938 26.261 -7.409 1.00 12.13 C ATOM 1426 C PRO A 98 13.842 27.376 -6.898 1.00 60.44 C ATOM 1427 O PRO A 98 13.540 28.026 -5.898 1.00 74.32 O ATOM 1428 CB PRO A 98 12.355 26.629 -8.775 1.00 11.34 C ATOM 1429 CG PRO A 98 11.024 27.226 -8.472 1.00 30.41 C ATOM 1430 CD PRO A 98 10.516 26.507 -7.253 1.00 21.22 C ATOM 0 HA PRO A 98 13.566 25.370 -7.424 1.00 12.13 H new ATOM 0 HB2 PRO A 98 12.996 27.337 -9.301 1.00 11.34 H new ATOM 0 HB3 PRO A 98 12.259 25.751 -9.414 1.00 11.34 H new ATOM 0 HG2 PRO A 98 11.110 28.297 -8.286 1.00 30.41 H new ATOM 0 HG3 PRO A 98 10.340 27.102 -9.312 1.00 30.41 H new ATOM 0 HD2 PRO A 98 9.914 27.161 -6.622 1.00 21.22 H new ATOM 0 HD3 PRO A 98 9.889 25.656 -7.520 1.00 21.22 H new ATOM 1435 N GLY A 99 14.956 27.593 -7.591 1.00 24.21 N ATOM 1436 CA GLY A 99 15.887 28.632 -7.192 1.00 42.04 C ATOM 1437 C GLY A 99 16.098 29.671 -8.276 1.00 34.31 C ATOM 1438 O GLY A 99 15.320 29.752 -9.227 1.00 75.12 O ATOM 0 H GLY A 99 15.230 27.068 -8.421 1.00 24.21 H new ATOM 0 HA2 GLY A 99 15.516 29.121 -6.292 1.00 42.04 H new ATOM 0 HA3 GLY A 99 16.845 28.179 -6.937 1.00 42.04 H new ATOM 1442 N SER A 100 17.150 30.470 -8.132 1.00 42.31 N ATOM 1443 CA SER A 100 17.457 31.513 -9.104 1.00 61.11 C ATOM 1444 C SER A 100 18.938 31.497 -9.468 1.00 3.54 C ATOM 1445 O SER A 100 19.742 30.831 -8.818 1.00 13.34 O ATOM 1446 CB SER A 100 17.071 32.885 -8.549 1.00 1.22 C ATOM 1447 OG SER A 100 18.007 33.326 -7.581 1.00 42.40 O ATOM 0 H SER A 100 17.804 30.415 -7.352 1.00 42.31 H new ATOM 0 HA SER A 100 16.877 31.318 -10.006 1.00 61.11 H new ATOM 0 HB2 SER A 100 17.017 33.608 -9.363 1.00 1.22 H new ATOM 0 HB3 SER A 100 16.078 32.834 -8.102 1.00 1.22 H new ATOM 0 HG SER A 100 17.738 34.206 -7.243 1.00 42.40 H new ATOM 1452 N GLY A 101 19.291 32.237 -10.515 1.00 43.14 N ATOM 1453 CA GLY A 101 20.675 32.295 -10.950 1.00 22.44 C ATOM 1454 C GLY A 101 21.384 33.543 -10.462 1.00 72.33 C ATOM 1455 O GLY A 101 20.937 34.188 -9.514 1.00 23.31 O ATOM 0 H GLY A 101 18.644 32.797 -11.070 1.00 43.14 H new ATOM 0 HA2 GLY A 101 21.204 31.414 -10.586 1.00 22.44 H new ATOM 0 HA3 GLY A 101 20.712 32.262 -12.039 1.00 22.44 H new ATOM 1459 N ALA A 102 22.494 33.882 -11.109 1.00 64.42 N ATOM 1460 CA ALA A 102 23.267 35.060 -10.734 1.00 3.33 C ATOM 1461 C ALA A 102 24.179 35.502 -11.874 1.00 71.31 C ATOM 1462 O ALA A 102 24.967 34.712 -12.391 1.00 42.01 O ATOM 1463 CB ALA A 102 24.082 34.781 -9.481 1.00 70.33 C ATOM 0 H ALA A 102 22.878 33.358 -11.895 1.00 64.42 H new ATOM 0 HA ALA A 102 22.569 35.871 -10.525 1.00 3.33 H new ATOM 0 HB1 ALA A 102 24.654 35.670 -9.213 1.00 70.33 H new ATOM 0 HB2 ALA A 102 23.412 34.520 -8.662 1.00 70.33 H new ATOM 0 HB3 ALA A 102 24.765 33.953 -9.668 1.00 70.33 H new ATOM 1469 N GLN A 103 24.065 36.769 -12.259 1.00 61.41 N ATOM 1470 CA GLN A 103 24.880 37.316 -13.338 1.00 73.24 C ATOM 1471 C GLN A 103 26.238 37.773 -12.816 1.00 10.42 C ATOM 1472 O GLN A 103 26.383 38.110 -11.642 1.00 75.43 O ATOM 1473 CB GLN A 103 24.158 38.485 -14.009 1.00 74.33 C ATOM 1474 CG GLN A 103 23.894 39.655 -13.073 1.00 11.41 C ATOM 1475 CD GLN A 103 23.524 40.923 -13.816 1.00 21.31 C ATOM 1476 OE1 GLN A 103 23.578 40.975 -15.045 1.00 14.14 O ATOM 1477 NE2 GLN A 103 23.147 41.956 -13.071 1.00 30.12 N ATOM 0 H GLN A 103 23.417 37.436 -11.840 1.00 61.41 H new ATOM 0 HA GLN A 103 25.041 36.528 -14.074 1.00 73.24 H new ATOM 0 HB2 GLN A 103 24.754 38.833 -14.853 1.00 74.33 H new ATOM 0 HB3 GLN A 103 23.209 38.132 -14.412 1.00 74.33 H new ATOM 0 HG2 GLN A 103 23.089 39.392 -12.387 1.00 11.41 H new ATOM 0 HG3 GLN A 103 24.782 39.839 -12.468 1.00 11.41 H new ATOM 0 HE21 GLN A 103 23.117 41.868 -12.055 1.00 30.12 H new ATOM 0 HE22 GLN A 103 22.888 42.837 -13.515 1.00 30.12 H new TER 1484 GLN A 103