USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 556 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 57 SER OG : rot 178:sc= 0.312 USER MOD Set 1.2: A 70 THR OG1 : rot -7:sc= 0.655 USER MOD Single : A 4 HIS : no HE2:sc= 0.529 K(o=0.53,f=-5.2!) USER MOD Single : A 11 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.041) USER MOD Single : A 12 SER OG : rot -22:sc= 0.81 USER MOD Single : A 17 SER OG : rot 119:sc= 0.846 USER MOD Single : A 22 HIS : no HD1:sc= -1.12 K(o=0.18,f=-11!) USER MOD Single : A 27 SER OG : rot -120:sc= -0.0243 USER MOD Single : A 29 GLN : amide:sc= 0.784 K(o=0.78,f=-0.047) USER MOD Single : A 33 MET CE :methyl -117:sc= -0.217 (180deg=-3.06!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 147:sc= -0.264 (180deg=-1.02) USER MOD Single : A 46 GLN : amide:sc= -3.26! K(o=-3.3!,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc=-4.56e-05 X(o=-4.6e-05,f=-0.011) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 168:sc= 1.24 USER MOD Single : A 74 GLN : amide:sc= -0.888! C(o=-0.89!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 2 11.035 -7.938 -6.589 1.00 0.70 N ATOM 11 CA PRO A 2 9.740 -7.987 -7.270 1.00 0.54 C ATOM 12 C PRO A 2 8.708 -7.032 -6.672 1.00 0.42 C ATOM 13 O PRO A 2 8.819 -6.605 -5.517 1.00 0.41 O ATOM 14 CB PRO A 2 9.299 -9.436 -7.074 1.00 0.73 C ATOM 15 CG PRO A 2 9.941 -9.859 -5.798 1.00 0.95 C ATOM 16 CD PRO A 2 11.235 -9.095 -5.694 1.00 0.85 C ATOM 0 HA PRO A 2 9.824 -7.680 -8.312 1.00 0.54 H new ATOM 0 HB2 PRO A 2 8.213 -9.515 -7.016 1.00 0.73 H new ATOM 0 HB3 PRO A 2 9.620 -10.063 -7.906 1.00 0.73 H new ATOM 0 HG2 PRO A 2 9.294 -9.642 -4.948 1.00 0.95 H new ATOM 0 HG3 PRO A 2 10.124 -10.934 -5.794 1.00 0.95 H new ATOM 0 HD2 PRO A 2 11.431 -8.779 -4.670 1.00 0.85 H new ATOM 0 HD3 PRO A 2 12.084 -9.702 -6.009 1.00 0.85 H new ATOM 24 N GLU A 3 7.706 -6.707 -7.475 1.00 0.42 N ATOM 25 CA GLU A 3 6.601 -5.867 -7.049 1.00 0.34 C ATOM 26 C GLU A 3 5.434 -6.747 -6.619 1.00 0.32 C ATOM 27 O GLU A 3 5.169 -7.782 -7.232 1.00 0.45 O ATOM 28 CB GLU A 3 6.202 -4.921 -8.194 1.00 0.40 C ATOM 29 CG GLU A 3 4.915 -4.138 -7.964 1.00 0.46 C ATOM 30 CD GLU A 3 3.712 -4.749 -8.669 1.00 0.75 C ATOM 31 OE1 GLU A 3 3.607 -4.622 -9.903 1.00 1.13 O ATOM 32 OE2 GLU A 3 2.871 -5.373 -7.988 1.00 1.02 O ATOM 0 H GLU A 3 7.638 -7.020 -8.443 1.00 0.42 H new ATOM 0 HA GLU A 3 6.899 -5.257 -6.197 1.00 0.34 H new ATOM 0 HB2 GLU A 3 7.015 -4.214 -8.361 1.00 0.40 H new ATOM 0 HB3 GLU A 3 6.095 -5.506 -9.108 1.00 0.40 H new ATOM 0 HG2 GLU A 3 4.714 -4.086 -6.894 1.00 0.46 H new ATOM 0 HG3 GLU A 3 5.052 -3.114 -8.313 1.00 0.46 H new ATOM 39 N HIS A 4 4.761 -6.360 -5.547 1.00 0.26 N ATOM 40 CA HIS A 4 3.657 -7.146 -5.021 1.00 0.28 C ATOM 41 C HIS A 4 2.414 -6.277 -4.884 1.00 0.27 C ATOM 42 O HIS A 4 2.502 -5.111 -4.501 1.00 0.36 O ATOM 43 CB HIS A 4 4.017 -7.749 -3.658 1.00 0.33 C ATOM 44 CG HIS A 4 5.331 -8.478 -3.627 1.00 0.40 C ATOM 45 ND1 HIS A 4 5.465 -9.822 -3.905 1.00 0.49 N ATOM 46 CD2 HIS A 4 6.578 -8.035 -3.332 1.00 0.46 C ATOM 47 CE1 HIS A 4 6.732 -10.170 -3.786 1.00 0.55 C ATOM 48 NE2 HIS A 4 7.429 -9.106 -3.438 1.00 0.54 N ATOM 0 H HIS A 4 4.960 -5.507 -5.025 1.00 0.26 H new ATOM 0 HA HIS A 4 3.456 -7.958 -5.719 1.00 0.28 H new ATOM 0 HB2 HIS A 4 4.041 -6.950 -2.916 1.00 0.33 H new ATOM 0 HB3 HIS A 4 3.227 -8.438 -3.359 1.00 0.33 H new ATOM 0 HD1 HIS A 4 4.703 -10.449 -4.163 1.00 0.49 H new ATOM 0 HD2 HIS A 4 6.851 -7.025 -3.063 1.00 0.46 H new ATOM 0 HE1 HIS A 4 7.131 -11.160 -3.947 1.00 0.55 H new ATOM 57 N ARG A 5 1.264 -6.852 -5.196 1.00 0.30 N ATOM 58 CA ARG A 5 -0.001 -6.134 -5.108 1.00 0.33 C ATOM 59 C ARG A 5 -0.555 -6.198 -3.695 1.00 0.23 C ATOM 60 O ARG A 5 -0.675 -7.278 -3.116 1.00 0.32 O ATOM 61 CB ARG A 5 -1.005 -6.713 -6.102 1.00 0.49 C ATOM 62 CG ARG A 5 -0.616 -6.441 -7.540 1.00 0.85 C ATOM 63 CD ARG A 5 -0.626 -4.954 -7.824 1.00 0.80 C ATOM 64 NE ARG A 5 0.395 -4.569 -8.789 1.00 1.37 N ATOM 65 CZ ARG A 5 0.197 -3.695 -9.771 1.00 1.81 C ATOM 66 NH1 ARG A 5 -1.004 -3.157 -9.958 1.00 2.17 N ATOM 67 NH2 ARG A 5 1.206 -3.351 -10.564 1.00 2.51 N ATOM 0 H ARG A 5 1.179 -7.817 -5.514 1.00 0.30 H new ATOM 0 HA ARG A 5 0.175 -5.088 -5.358 1.00 0.33 H new ATOM 0 HB2 ARG A 5 -1.086 -7.789 -5.948 1.00 0.49 H new ATOM 0 HB3 ARG A 5 -1.990 -6.288 -5.908 1.00 0.49 H new ATOM 0 HG2 ARG A 5 0.376 -6.847 -7.737 1.00 0.85 H new ATOM 0 HG3 ARG A 5 -1.308 -6.949 -8.212 1.00 0.85 H new ATOM 0 HD2 ARG A 5 -1.607 -4.665 -8.201 1.00 0.80 H new ATOM 0 HD3 ARG A 5 -0.468 -4.408 -6.894 1.00 0.80 H new ATOM 0 HE ARG A 5 1.318 -4.996 -8.706 1.00 1.37 H new ATOM 0 HH11 ARG A 5 -1.779 -3.414 -9.347 1.00 2.17 H new ATOM 0 HH12 ARG A 5 -1.151 -2.487 -10.713 1.00 2.17 H new ATOM 0 HH21 ARG A 5 2.130 -3.757 -10.419 1.00 2.51 H new ATOM 0 HH22 ARG A 5 1.056 -2.681 -11.318 1.00 2.51 H new ATOM 81 N ALA A 6 -0.903 -5.042 -3.150 1.00 0.18 N ATOM 82 CA ALA A 6 -1.317 -4.950 -1.764 1.00 0.24 C ATOM 83 C ALA A 6 -2.520 -4.032 -1.595 1.00 0.21 C ATOM 84 O ALA A 6 -2.523 -2.898 -2.066 1.00 0.23 O ATOM 85 CB ALA A 6 -0.161 -4.453 -0.918 1.00 0.41 C ATOM 0 H ALA A 6 -0.906 -4.154 -3.651 1.00 0.18 H new ATOM 0 HA ALA A 6 -1.613 -5.946 -1.434 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -0.475 -4.385 0.123 1.00 0.41 H new ATOM 0 HB2 ALA A 6 0.675 -5.148 -1.000 1.00 0.41 H new ATOM 0 HB3 ALA A 6 0.149 -3.469 -1.268 1.00 0.41 H new ATOM 91 N VAL A 7 -3.543 -4.533 -0.931 1.00 0.19 N ATOM 92 CA VAL A 7 -4.702 -3.722 -0.595 1.00 0.16 C ATOM 93 C VAL A 7 -4.758 -3.469 0.905 1.00 0.16 C ATOM 94 O VAL A 7 -4.258 -4.271 1.701 1.00 0.20 O ATOM 95 CB VAL A 7 -6.018 -4.380 -1.060 1.00 0.19 C ATOM 96 CG1 VAL A 7 -6.048 -4.479 -2.575 1.00 0.20 C ATOM 97 CG2 VAL A 7 -6.201 -5.753 -0.427 1.00 0.24 C ATOM 0 H VAL A 7 -3.597 -5.500 -0.612 1.00 0.19 H new ATOM 0 HA VAL A 7 -4.595 -2.773 -1.120 1.00 0.16 H new ATOM 0 HB VAL A 7 -6.847 -3.752 -0.734 1.00 0.19 H new ATOM 0 HG11 VAL A 7 -6.981 -4.945 -2.891 1.00 0.20 H new ATOM 0 HG12 VAL A 7 -5.977 -3.481 -3.006 1.00 0.20 H new ATOM 0 HG13 VAL A 7 -5.207 -5.083 -2.917 1.00 0.20 H new ATOM 0 HG21 VAL A 7 -7.137 -6.192 -0.774 1.00 0.24 H new ATOM 0 HG22 VAL A 7 -5.370 -6.399 -0.712 1.00 0.24 H new ATOM 0 HG23 VAL A 7 -6.227 -5.653 0.658 1.00 0.24 H new ATOM 107 N GLY A 8 -5.349 -2.347 1.287 1.00 0.19 N ATOM 108 CA GLY A 8 -5.455 -2.014 2.689 1.00 0.23 C ATOM 109 C GLY A 8 -6.180 -0.709 2.918 1.00 0.20 C ATOM 110 O GLY A 8 -6.873 -0.208 2.029 1.00 0.28 O ATOM 0 H GLY A 8 -5.757 -1.662 0.650 1.00 0.19 H new ATOM 0 HA2 GLY A 8 -5.980 -2.814 3.211 1.00 0.23 H new ATOM 0 HA3 GLY A 8 -4.456 -1.952 3.121 1.00 0.23 H new ATOM 114 N ARG A 9 -6.012 -0.160 4.108 1.00 0.19 N ATOM 115 CA ARG A 9 -6.673 1.075 4.487 1.00 0.19 C ATOM 116 C ARG A 9 -5.634 2.083 4.953 1.00 0.19 C ATOM 117 O ARG A 9 -4.742 1.745 5.734 1.00 0.24 O ATOM 118 CB ARG A 9 -7.687 0.806 5.601 1.00 0.25 C ATOM 119 CG ARG A 9 -8.620 1.973 5.883 1.00 0.49 C ATOM 120 CD ARG A 9 -9.514 1.692 7.079 1.00 0.63 C ATOM 121 NE ARG A 9 -8.777 1.766 8.340 1.00 1.52 N ATOM 122 CZ ARG A 9 -8.443 0.710 9.084 1.00 2.08 C ATOM 123 NH1 ARG A 9 -8.797 -0.514 8.710 1.00 2.10 N ATOM 124 NH2 ARG A 9 -7.766 0.882 10.210 1.00 3.19 N ATOM 0 H ARG A 9 -5.416 -0.556 4.835 1.00 0.19 H new ATOM 0 HA ARG A 9 -7.203 1.481 3.625 1.00 0.19 H new ATOM 0 HB2 ARG A 9 -8.283 -0.066 5.333 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -7.149 0.555 6.515 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -8.034 2.873 6.069 1.00 0.49 H new ATOM 0 HG3 ARG A 9 -9.235 2.169 5.005 1.00 0.49 H new ATOM 0 HD2 ARG A 9 -10.335 2.409 7.095 1.00 0.63 H new ATOM 0 HD3 ARG A 9 -9.958 0.702 6.976 1.00 0.63 H new ATOM 0 HE ARG A 9 -8.499 2.689 8.674 1.00 1.52 H new ATOM 0 HH11 ARG A 9 -9.327 -0.651 7.850 1.00 2.10 H new ATOM 0 HH12 ARG A 9 -8.539 -1.317 9.283 1.00 2.10 H new ATOM 0 HH21 ARG A 9 -7.501 1.821 10.507 1.00 3.19 H new ATOM 0 HH22 ARG A 9 -7.510 0.075 10.780 1.00 3.19 H new ATOM 138 N ILE A 10 -5.741 3.308 4.473 1.00 0.17 N ATOM 139 CA ILE A 10 -4.769 4.335 4.804 1.00 0.18 C ATOM 140 C ILE A 10 -4.820 4.654 6.288 1.00 0.19 C ATOM 141 O ILE A 10 -5.874 4.998 6.823 1.00 0.22 O ATOM 142 CB ILE A 10 -5.001 5.629 4.007 1.00 0.19 C ATOM 143 CG1 ILE A 10 -5.084 5.332 2.511 1.00 0.20 C ATOM 144 CG2 ILE A 10 -3.885 6.623 4.289 1.00 0.21 C ATOM 145 CD1 ILE A 10 -3.846 4.669 1.958 1.00 0.23 C ATOM 0 H ILE A 10 -6.490 3.617 3.853 1.00 0.17 H new ATOM 0 HA ILE A 10 -3.789 3.939 4.539 1.00 0.18 H new ATOM 0 HB ILE A 10 -5.949 6.066 4.322 1.00 0.19 H new ATOM 0 HG12 ILE A 10 -5.945 4.690 2.324 1.00 0.20 H new ATOM 0 HG13 ILE A 10 -5.258 6.264 1.973 1.00 0.20 H new ATOM 0 HG21 ILE A 10 -4.059 7.536 3.720 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -3.867 6.857 5.353 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -2.929 6.189 3.996 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -3.976 4.488 0.891 1.00 0.23 H new ATOM 0 HD12 ILE A 10 -2.985 5.319 2.114 1.00 0.23 H new ATOM 0 HD13 ILE A 10 -3.682 3.721 2.470 1.00 0.23 H new ATOM 157 N GLN A 11 -3.680 4.527 6.944 1.00 0.21 N ATOM 158 CA GLN A 11 -3.590 4.791 8.366 1.00 0.26 C ATOM 159 C GLN A 11 -3.291 6.268 8.590 1.00 0.26 C ATOM 160 O GLN A 11 -4.010 6.956 9.314 1.00 0.32 O ATOM 161 CB GLN A 11 -2.496 3.911 8.985 1.00 0.34 C ATOM 162 CG GLN A 11 -2.416 3.977 10.499 1.00 0.62 C ATOM 163 CD GLN A 11 -3.608 3.342 11.187 1.00 0.60 C ATOM 164 OE1 GLN A 11 -4.011 3.764 12.271 1.00 1.13 O ATOM 165 NE2 GLN A 11 -4.163 2.306 10.578 1.00 0.52 N ATOM 0 H GLN A 11 -2.802 4.241 6.511 1.00 0.21 H new ATOM 0 HA GLN A 11 -4.538 4.552 8.848 1.00 0.26 H new ATOM 0 HB2 GLN A 11 -2.668 2.877 8.688 1.00 0.34 H new ATOM 0 HB3 GLN A 11 -1.532 4.206 8.570 1.00 0.34 H new ATOM 0 HG2 GLN A 11 -1.505 3.479 10.831 1.00 0.62 H new ATOM 0 HG3 GLN A 11 -2.339 5.020 10.807 1.00 0.62 H new ATOM 0 HE21 GLN A 11 -3.799 1.987 9.680 1.00 0.52 H new ATOM 0 HE22 GLN A 11 -4.955 1.826 11.007 1.00 0.52 H new ATOM 174 N SER A 12 -2.227 6.745 7.953 1.00 0.24 N ATOM 175 CA SER A 12 -1.858 8.155 7.987 1.00 0.26 C ATOM 176 C SER A 12 -0.946 8.463 6.810 1.00 0.24 C ATOM 177 O SER A 12 -0.314 7.558 6.261 1.00 0.31 O ATOM 178 CB SER A 12 -1.146 8.512 9.293 1.00 0.33 C ATOM 179 OG SER A 12 -1.905 8.120 10.428 1.00 0.75 O ATOM 0 H SER A 12 -1.597 6.165 7.399 1.00 0.24 H new ATOM 0 HA SER A 12 -2.769 8.751 7.924 1.00 0.26 H new ATOM 0 HB2 SER A 12 -0.171 8.025 9.321 1.00 0.33 H new ATOM 0 HB3 SER A 12 -0.967 9.587 9.328 1.00 0.33 H new ATOM 0 HG SER A 12 -2.848 8.032 10.176 1.00 0.75 H new ATOM 185 N ILE A 13 -0.865 9.730 6.432 1.00 0.28 N ATOM 186 CA ILE A 13 -0.094 10.129 5.261 1.00 0.30 C ATOM 187 C ILE A 13 1.147 10.924 5.644 1.00 0.36 C ATOM 188 O ILE A 13 1.142 11.701 6.601 1.00 0.44 O ATOM 189 CB ILE A 13 -0.943 10.972 4.283 1.00 0.41 C ATOM 190 CG1 ILE A 13 -2.160 10.176 3.825 1.00 0.47 C ATOM 191 CG2 ILE A 13 -0.119 11.413 3.074 1.00 0.49 C ATOM 192 CD1 ILE A 13 -3.071 10.958 2.908 1.00 0.77 C ATOM 0 H ILE A 13 -1.323 10.501 6.918 1.00 0.28 H new ATOM 0 HA ILE A 13 0.212 9.205 4.770 1.00 0.30 H new ATOM 0 HB ILE A 13 -1.276 11.866 4.810 1.00 0.41 H new ATOM 0 HG12 ILE A 13 -1.825 9.275 3.312 1.00 0.47 H new ATOM 0 HG13 ILE A 13 -2.725 9.853 4.699 1.00 0.47 H new ATOM 0 HG21 ILE A 13 -0.743 12.004 2.404 1.00 0.49 H new ATOM 0 HG22 ILE A 13 0.725 12.016 3.409 1.00 0.49 H new ATOM 0 HG23 ILE A 13 0.250 10.534 2.545 1.00 0.49 H new ATOM 0 HD11 ILE A 13 -3.917 10.335 2.618 1.00 0.77 H new ATOM 0 HD12 ILE A 13 -3.434 11.846 3.426 1.00 0.77 H new ATOM 0 HD13 ILE A 13 -2.520 11.258 2.017 1.00 0.77 H new ATOM 204 N GLY A 14 2.204 10.701 4.887 1.00 0.44 N ATOM 205 CA GLY A 14 3.402 11.492 5.003 1.00 0.60 C ATOM 206 C GLY A 14 3.872 11.942 3.637 1.00 0.77 C ATOM 207 O GLY A 14 3.491 11.351 2.627 1.00 1.06 O ATOM 0 H GLY A 14 2.251 9.968 4.179 1.00 0.44 H new ATOM 0 HA2 GLY A 14 3.212 12.361 5.633 1.00 0.60 H new ATOM 0 HA3 GLY A 14 4.184 10.910 5.490 1.00 0.60 H new ATOM 211 N GLU A 15 4.694 12.975 3.607 1.00 0.88 N ATOM 212 CA GLU A 15 5.158 13.555 2.352 1.00 1.05 C ATOM 213 C GLU A 15 5.934 12.546 1.514 1.00 0.84 C ATOM 214 O GLU A 15 5.750 12.464 0.303 1.00 1.00 O ATOM 215 CB GLU A 15 6.036 14.779 2.609 1.00 1.34 C ATOM 216 CG GLU A 15 5.287 15.966 3.193 1.00 1.90 C ATOM 217 CD GLU A 15 5.046 15.844 4.684 1.00 2.12 C ATOM 218 OE1 GLU A 15 5.935 16.215 5.474 1.00 2.51 O ATOM 219 OE2 GLU A 15 3.963 15.366 5.074 1.00 2.50 O ATOM 0 H GLU A 15 5.058 13.435 4.441 1.00 0.88 H new ATOM 0 HA GLU A 15 4.270 13.855 1.796 1.00 1.05 H new ATOM 0 HB2 GLU A 15 6.841 14.500 3.289 1.00 1.34 H new ATOM 0 HB3 GLU A 15 6.502 15.082 1.672 1.00 1.34 H new ATOM 0 HG2 GLU A 15 5.852 16.877 2.996 1.00 1.90 H new ATOM 0 HG3 GLU A 15 4.329 16.069 2.684 1.00 1.90 H new ATOM 226 N ARG A 16 6.800 11.778 2.152 1.00 0.60 N ATOM 227 CA ARG A 16 7.651 10.856 1.415 1.00 0.53 C ATOM 228 C ARG A 16 7.479 9.418 1.885 1.00 0.38 C ATOM 229 O ARG A 16 8.074 8.500 1.323 1.00 0.41 O ATOM 230 CB ARG A 16 9.123 11.293 1.478 1.00 0.67 C ATOM 231 CG ARG A 16 9.505 12.090 2.722 1.00 0.91 C ATOM 232 CD ARG A 16 9.480 11.247 3.987 1.00 1.39 C ATOM 233 NE ARG A 16 10.341 10.071 3.900 1.00 2.20 N ATOM 234 CZ ARG A 16 10.863 9.463 4.962 1.00 2.95 C ATOM 235 NH1 ARG A 16 10.694 9.980 6.174 1.00 3.02 N ATOM 236 NH2 ARG A 16 11.569 8.349 4.807 1.00 3.93 N ATOM 0 H ARG A 16 6.933 11.772 3.163 1.00 0.60 H new ATOM 0 HA ARG A 16 7.334 10.888 0.373 1.00 0.53 H new ATOM 0 HB2 ARG A 16 9.753 10.405 1.426 1.00 0.67 H new ATOM 0 HB3 ARG A 16 9.346 11.894 0.597 1.00 0.67 H new ATOM 0 HG2 ARG A 16 10.502 12.509 2.589 1.00 0.91 H new ATOM 0 HG3 ARG A 16 8.819 12.930 2.836 1.00 0.91 H new ATOM 0 HD2 ARG A 16 9.793 11.859 4.833 1.00 1.39 H new ATOM 0 HD3 ARG A 16 8.457 10.929 4.186 1.00 1.39 H new ATOM 0 HE ARG A 16 10.554 9.696 2.976 1.00 2.20 H new ATOM 0 HH11 ARG A 16 10.164 10.844 6.291 1.00 3.02 H new ATOM 0 HH12 ARG A 16 11.094 9.513 6.988 1.00 3.02 H new ATOM 0 HH21 ARG A 16 11.711 7.960 3.875 1.00 3.93 H new ATOM 0 HH22 ARG A 16 11.970 7.882 5.620 1.00 3.93 H new ATOM 250 N SER A 17 6.685 9.227 2.922 1.00 0.33 N ATOM 251 CA SER A 17 6.315 7.896 3.368 1.00 0.37 C ATOM 252 C SER A 17 5.032 7.963 4.164 1.00 0.39 C ATOM 253 O SER A 17 4.785 8.934 4.873 1.00 0.54 O ATOM 254 CB SER A 17 7.425 7.261 4.199 1.00 0.47 C ATOM 255 OG SER A 17 7.925 8.167 5.165 1.00 0.94 O ATOM 0 H SER A 17 6.281 9.983 3.475 1.00 0.33 H new ATOM 0 HA SER A 17 6.161 7.270 2.489 1.00 0.37 H new ATOM 0 HB2 SER A 17 7.045 6.369 4.696 1.00 0.47 H new ATOM 0 HB3 SER A 17 8.235 6.940 3.544 1.00 0.47 H new ATOM 0 HG SER A 17 7.781 7.801 6.062 1.00 0.94 H new ATOM 261 N LEU A 18 4.226 6.934 4.058 1.00 0.35 N ATOM 262 CA LEU A 18 2.950 6.910 4.749 1.00 0.35 C ATOM 263 C LEU A 18 2.599 5.507 5.204 1.00 0.26 C ATOM 264 O LEU A 18 3.026 4.522 4.604 1.00 0.30 O ATOM 265 CB LEU A 18 1.852 7.514 3.867 1.00 0.46 C ATOM 266 CG LEU A 18 1.932 7.187 2.376 1.00 0.45 C ATOM 267 CD1 LEU A 18 1.348 5.815 2.085 1.00 1.03 C ATOM 268 CD2 LEU A 18 1.219 8.262 1.575 1.00 0.78 C ATOM 0 H LEU A 18 4.426 6.102 3.503 1.00 0.35 H new ATOM 0 HA LEU A 18 3.032 7.524 5.646 1.00 0.35 H new ATOM 0 HB2 LEU A 18 0.886 7.175 4.241 1.00 0.46 H new ATOM 0 HB3 LEU A 18 1.876 8.598 3.982 1.00 0.46 H new ATOM 0 HG LEU A 18 2.981 7.165 2.079 1.00 0.45 H new ATOM 0 HD11 LEU A 18 1.418 5.609 1.017 1.00 1.03 H new ATOM 0 HD12 LEU A 18 1.904 5.058 2.638 1.00 1.03 H new ATOM 0 HD13 LEU A 18 0.302 5.792 2.391 1.00 1.03 H new ATOM 0 HD21 LEU A 18 1.279 8.024 0.513 1.00 0.78 H new ATOM 0 HD22 LEU A 18 0.173 8.308 1.878 1.00 0.78 H new ATOM 0 HD23 LEU A 18 1.693 9.227 1.758 1.00 0.78 H new ATOM 280 N ILE A 19 1.831 5.428 6.275 1.00 0.20 N ATOM 281 CA ILE A 19 1.512 4.155 6.888 1.00 0.19 C ATOM 282 C ILE A 19 0.150 3.675 6.425 1.00 0.17 C ATOM 283 O ILE A 19 -0.833 4.420 6.467 1.00 0.19 O ATOM 284 CB ILE A 19 1.523 4.249 8.427 1.00 0.22 C ATOM 285 CG1 ILE A 19 2.708 5.100 8.899 1.00 0.28 C ATOM 286 CG2 ILE A 19 1.596 2.853 9.033 1.00 0.28 C ATOM 287 CD1 ILE A 19 2.723 5.348 10.391 1.00 0.56 C ATOM 0 H ILE A 19 1.415 6.236 6.739 1.00 0.20 H new ATOM 0 HA ILE A 19 2.278 3.443 6.580 1.00 0.19 H new ATOM 0 HB ILE A 19 0.601 4.727 8.758 1.00 0.22 H new ATOM 0 HG12 ILE A 19 3.636 4.605 8.613 1.00 0.28 H new ATOM 0 HG13 ILE A 19 2.685 6.059 8.381 1.00 0.28 H new ATOM 0 HG21 ILE A 19 1.603 2.928 10.120 1.00 0.28 H new ATOM 0 HG22 ILE A 19 0.730 2.273 8.715 1.00 0.28 H new ATOM 0 HG23 ILE A 19 2.507 2.358 8.697 1.00 0.28 H new ATOM 0 HD11 ILE A 19 3.589 5.956 10.650 1.00 0.56 H new ATOM 0 HD12 ILE A 19 1.812 5.871 10.682 1.00 0.56 H new ATOM 0 HD13 ILE A 19 2.778 4.395 10.918 1.00 0.56 H new ATOM 299 N ILE A 20 0.096 2.438 5.973 1.00 0.15 N ATOM 300 CA ILE A 20 -1.137 1.849 5.496 1.00 0.15 C ATOM 301 C ILE A 20 -1.391 0.522 6.192 1.00 0.15 C ATOM 302 O ILE A 20 -0.544 -0.379 6.169 1.00 0.16 O ATOM 303 CB ILE A 20 -1.100 1.616 3.969 1.00 0.17 C ATOM 304 CG1 ILE A 20 -0.861 2.935 3.231 1.00 0.20 C ATOM 305 CG2 ILE A 20 -2.396 0.971 3.498 1.00 0.20 C ATOM 306 CD1 ILE A 20 -0.623 2.766 1.747 1.00 0.21 C ATOM 0 H ILE A 20 0.903 1.816 5.926 1.00 0.15 H new ATOM 0 HA ILE A 20 -1.941 2.549 5.724 1.00 0.15 H new ATOM 0 HB ILE A 20 -0.275 0.940 3.743 1.00 0.17 H new ATOM 0 HG12 ILE A 20 -1.722 3.586 3.380 1.00 0.20 H new ATOM 0 HG13 ILE A 20 -0.001 3.438 3.673 1.00 0.20 H new ATOM 0 HG21 ILE A 20 -2.353 0.814 2.420 1.00 0.20 H new ATOM 0 HG22 ILE A 20 -2.529 0.012 4.000 1.00 0.20 H new ATOM 0 HG23 ILE A 20 -3.235 1.624 3.736 1.00 0.20 H new ATOM 0 HD11 ILE A 20 -0.461 3.743 1.291 1.00 0.21 H new ATOM 0 HD12 ILE A 20 0.256 2.141 1.588 1.00 0.21 H new ATOM 0 HD13 ILE A 20 -1.492 2.292 1.291 1.00 0.21 H new ATOM 318 N ALA A 21 -2.538 0.413 6.836 1.00 0.17 N ATOM 319 CA ALA A 21 -2.972 -0.855 7.389 1.00 0.18 C ATOM 320 C ALA A 21 -3.375 -1.780 6.252 1.00 0.17 C ATOM 321 O ALA A 21 -4.518 -1.765 5.795 1.00 0.20 O ATOM 322 CB ALA A 21 -4.132 -0.659 8.351 1.00 0.22 C ATOM 0 H ALA A 21 -3.185 1.187 6.989 1.00 0.17 H new ATOM 0 HA ALA A 21 -2.150 -1.301 7.949 1.00 0.18 H new ATOM 0 HB1 ALA A 21 -4.439 -1.625 8.752 1.00 0.22 H new ATOM 0 HB2 ALA A 21 -3.821 -0.009 9.169 1.00 0.22 H new ATOM 0 HB3 ALA A 21 -4.969 -0.203 7.823 1.00 0.22 H new ATOM 328 N HIS A 22 -2.419 -2.555 5.768 1.00 0.17 N ATOM 329 CA HIS A 22 -2.663 -3.439 4.644 1.00 0.19 C ATOM 330 C HIS A 22 -3.058 -4.818 5.137 1.00 0.21 C ATOM 331 O HIS A 22 -2.632 -5.254 6.208 1.00 0.21 O ATOM 332 CB HIS A 22 -1.430 -3.538 3.730 1.00 0.22 C ATOM 333 CG HIS A 22 -0.217 -4.128 4.391 1.00 0.21 C ATOM 334 ND1 HIS A 22 -0.093 -5.471 4.685 1.00 0.24 N ATOM 335 CD2 HIS A 22 0.932 -3.548 4.809 1.00 0.24 C ATOM 336 CE1 HIS A 22 1.076 -5.690 5.255 1.00 0.27 C ATOM 337 NE2 HIS A 22 1.717 -4.541 5.342 1.00 0.27 N ATOM 0 H HIS A 22 -1.468 -2.589 6.136 1.00 0.17 H new ATOM 0 HA HIS A 22 -3.482 -3.019 4.060 1.00 0.19 H new ATOM 0 HB2 HIS A 22 -1.685 -4.142 2.859 1.00 0.22 H new ATOM 0 HB3 HIS A 22 -1.182 -2.541 3.365 1.00 0.22 H new ATOM 0 HD2 HIS A 22 1.184 -2.500 4.737 1.00 0.24 H new ATOM 0 HE1 HIS A 22 1.445 -6.647 5.593 1.00 0.27 H new ATOM 0 HE2 HIS A 22 2.647 -4.411 5.741 1.00 0.27 H new ATOM 346 N GLU A 23 -3.858 -5.502 4.345 1.00 0.26 N ATOM 347 CA GLU A 23 -4.295 -6.842 4.681 1.00 0.31 C ATOM 348 C GLU A 23 -3.201 -7.858 4.368 1.00 0.33 C ATOM 349 O GLU A 23 -2.021 -7.497 4.271 1.00 0.32 O ATOM 350 CB GLU A 23 -5.592 -7.161 3.943 1.00 0.42 C ATOM 351 CG GLU A 23 -6.713 -6.216 4.332 1.00 1.27 C ATOM 352 CD GLU A 23 -8.053 -6.591 3.743 1.00 2.11 C ATOM 353 OE1 GLU A 23 -8.277 -7.795 3.505 1.00 2.23 O ATOM 354 OE2 GLU A 23 -8.868 -5.686 3.477 1.00 3.05 O ATOM 0 H GLU A 23 -4.221 -5.150 3.459 1.00 0.26 H new ATOM 0 HA GLU A 23 -4.491 -6.900 5.752 1.00 0.31 H new ATOM 0 HB2 GLU A 23 -5.422 -7.099 2.868 1.00 0.42 H new ATOM 0 HB3 GLU A 23 -5.890 -8.187 4.160 1.00 0.42 H new ATOM 0 HG2 GLU A 23 -6.797 -6.193 5.419 1.00 1.27 H new ATOM 0 HG3 GLU A 23 -6.454 -5.207 4.011 1.00 1.27 H new ATOM 361 N ALA A 24 -3.591 -9.121 4.242 1.00 0.41 N ATOM 362 CA ALA A 24 -2.643 -10.220 4.089 1.00 0.49 C ATOM 363 C ALA A 24 -1.675 -10.010 2.940 1.00 0.67 C ATOM 364 O ALA A 24 -0.477 -10.187 3.106 1.00 1.50 O ATOM 365 CB ALA A 24 -3.380 -11.537 3.925 1.00 0.56 C ATOM 0 H ALA A 24 -4.569 -9.412 4.243 1.00 0.41 H new ATOM 0 HA ALA A 24 -2.047 -10.249 5.001 1.00 0.49 H new ATOM 0 HB1 ALA A 24 -2.658 -12.346 3.812 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -3.997 -11.721 4.805 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -4.015 -11.491 3.040 1.00 0.56 H new ATOM 371 N ILE A 25 -2.192 -9.608 1.797 1.00 0.48 N ATOM 372 CA ILE A 25 -1.375 -9.450 0.594 1.00 0.48 C ATOM 373 C ILE A 25 -0.933 -10.813 0.065 1.00 0.58 C ATOM 374 O ILE A 25 0.133 -11.322 0.428 1.00 0.63 O ATOM 375 CB ILE A 25 -0.114 -8.585 0.842 1.00 0.41 C ATOM 376 CG1 ILE A 25 -0.487 -7.241 1.463 1.00 0.35 C ATOM 377 CG2 ILE A 25 0.649 -8.372 -0.457 1.00 0.47 C ATOM 378 CD1 ILE A 25 0.710 -6.352 1.722 1.00 0.58 C ATOM 0 H ILE A 25 -3.178 -9.382 1.668 1.00 0.48 H new ATOM 0 HA ILE A 25 -2.002 -8.941 -0.138 1.00 0.48 H new ATOM 0 HB ILE A 25 0.529 -9.118 1.543 1.00 0.41 H new ATOM 0 HG12 ILE A 25 -1.181 -6.722 0.801 1.00 0.35 H new ATOM 0 HG13 ILE A 25 -1.012 -7.415 2.402 1.00 0.35 H new ATOM 0 HG21 ILE A 25 1.532 -7.762 -0.265 1.00 0.47 H new ATOM 0 HG22 ILE A 25 0.955 -9.337 -0.861 1.00 0.47 H new ATOM 0 HG23 ILE A 25 0.007 -7.864 -1.177 1.00 0.47 H new ATOM 0 HD11 ILE A 25 0.377 -5.413 2.164 1.00 0.58 H new ATOM 0 HD12 ILE A 25 1.394 -6.853 2.407 1.00 0.58 H new ATOM 0 HD13 ILE A 25 1.223 -6.149 0.782 1.00 0.58 H new ATOM 390 N PRO A 26 -1.751 -11.428 -0.799 1.00 0.66 N ATOM 391 CA PRO A 26 -1.459 -12.753 -1.352 1.00 0.77 C ATOM 392 C PRO A 26 -0.194 -12.745 -2.200 1.00 0.80 C ATOM 393 O PRO A 26 0.548 -13.725 -2.246 1.00 0.96 O ATOM 394 CB PRO A 26 -2.686 -13.069 -2.220 1.00 0.87 C ATOM 395 CG PRO A 26 -3.744 -12.116 -1.775 1.00 0.97 C ATOM 396 CD PRO A 26 -3.021 -10.887 -1.304 1.00 0.70 C ATOM 0 HA PRO A 26 -1.283 -13.492 -0.570 1.00 0.77 H new ATOM 0 HB2 PRO A 26 -2.462 -12.940 -3.279 1.00 0.87 H new ATOM 0 HB3 PRO A 26 -3.006 -14.102 -2.086 1.00 0.87 H new ATOM 0 HG2 PRO A 26 -4.425 -11.879 -2.593 1.00 0.97 H new ATOM 0 HG3 PRO A 26 -4.345 -12.546 -0.974 1.00 0.97 H new ATOM 0 HD2 PRO A 26 -2.863 -10.175 -2.114 1.00 0.70 H new ATOM 0 HD3 PRO A 26 -3.576 -10.365 -0.525 1.00 0.70 H new ATOM 404 N SER A 27 0.068 -11.610 -2.833 1.00 0.72 N ATOM 405 CA SER A 27 1.199 -11.466 -3.739 1.00 0.74 C ATOM 406 C SER A 27 2.539 -11.517 -2.997 1.00 0.73 C ATOM 407 O SER A 27 3.581 -11.747 -3.611 1.00 0.80 O ATOM 408 CB SER A 27 1.076 -10.142 -4.493 1.00 0.73 C ATOM 409 OG SER A 27 -0.239 -9.959 -4.984 1.00 1.10 O ATOM 0 H SER A 27 -0.495 -10.766 -2.734 1.00 0.72 H new ATOM 0 HA SER A 27 1.179 -12.302 -4.438 1.00 0.74 H new ATOM 0 HB2 SER A 27 1.339 -9.317 -3.831 1.00 0.73 H new ATOM 0 HB3 SER A 27 1.783 -10.124 -5.322 1.00 0.73 H new ATOM 0 HG SER A 27 -0.215 -9.878 -5.960 1.00 1.10 H new ATOM 415 N ALA A 28 2.517 -11.299 -1.685 1.00 0.69 N ATOM 416 CA ALA A 28 3.751 -11.270 -0.907 1.00 0.74 C ATOM 417 C ALA A 28 3.763 -12.355 0.163 1.00 0.79 C ATOM 418 O ALA A 28 4.778 -12.565 0.829 1.00 0.89 O ATOM 419 CB ALA A 28 3.940 -9.898 -0.278 1.00 0.72 C ATOM 0 H ALA A 28 1.667 -11.141 -1.143 1.00 0.69 H new ATOM 0 HA ALA A 28 4.581 -11.468 -1.585 1.00 0.74 H new ATOM 0 HB1 ALA A 28 4.864 -9.887 0.300 1.00 0.72 H new ATOM 0 HB2 ALA A 28 3.994 -9.143 -1.062 1.00 0.72 H new ATOM 0 HB3 ALA A 28 3.098 -9.680 0.379 1.00 0.72 H new ATOM 425 N GLN A 29 2.633 -13.047 0.306 1.00 0.77 N ATOM 426 CA GLN A 29 2.477 -14.102 1.310 1.00 0.82 C ATOM 427 C GLN A 29 2.607 -13.528 2.723 1.00 0.81 C ATOM 428 O GLN A 29 3.134 -14.182 3.626 1.00 0.96 O ATOM 429 CB GLN A 29 3.502 -15.229 1.118 1.00 0.99 C ATOM 430 CG GLN A 29 3.341 -16.053 -0.155 1.00 1.21 C ATOM 431 CD GLN A 29 3.963 -15.403 -1.376 1.00 1.37 C ATOM 432 OE1 GLN A 29 5.155 -15.558 -1.630 1.00 2.21 O ATOM 433 NE2 GLN A 29 3.160 -14.706 -2.159 1.00 1.29 N ATOM 0 H GLN A 29 1.803 -12.894 -0.267 1.00 0.77 H new ATOM 0 HA GLN A 29 1.480 -14.522 1.179 1.00 0.82 H new ATOM 0 HB2 GLN A 29 4.501 -14.793 1.124 1.00 0.99 H new ATOM 0 HB3 GLN A 29 3.442 -15.900 1.975 1.00 0.99 H new ATOM 0 HG2 GLN A 29 3.793 -17.033 -0.004 1.00 1.21 H new ATOM 0 HG3 GLN A 29 2.280 -16.217 -0.341 1.00 1.21 H new ATOM 0 HE21 GLN A 29 2.175 -14.600 -1.915 1.00 1.29 H new ATOM 0 HE22 GLN A 29 3.524 -14.274 -3.008 1.00 1.29 H new ATOM 442 N TRP A 30 2.115 -12.310 2.915 1.00 0.70 N ATOM 443 CA TRP A 30 2.142 -11.666 4.227 1.00 0.73 C ATOM 444 C TRP A 30 0.853 -11.993 4.988 1.00 0.73 C ATOM 445 O TRP A 30 -0.048 -12.636 4.445 1.00 1.02 O ATOM 446 CB TRP A 30 2.325 -10.145 4.096 1.00 0.70 C ATOM 447 CG TRP A 30 3.686 -9.721 3.608 1.00 0.74 C ATOM 448 CD1 TRP A 30 4.711 -10.528 3.204 1.00 0.95 C ATOM 449 CD2 TRP A 30 4.166 -8.376 3.476 1.00 0.65 C ATOM 450 NE1 TRP A 30 5.794 -9.764 2.827 1.00 0.94 N ATOM 451 CE2 TRP A 30 5.484 -8.445 2.988 1.00 0.75 C ATOM 452 CE3 TRP A 30 3.611 -7.121 3.723 1.00 0.64 C ATOM 453 CZ2 TRP A 30 6.250 -7.312 2.743 1.00 0.74 C ATOM 454 CZ3 TRP A 30 4.373 -5.994 3.479 1.00 0.72 C ATOM 455 CH2 TRP A 30 5.680 -6.096 2.994 1.00 0.72 C ATOM 0 H TRP A 30 1.691 -11.746 2.179 1.00 0.70 H new ATOM 0 HA TRP A 30 2.994 -12.052 4.786 1.00 0.73 H new ATOM 0 HB2 TRP A 30 1.570 -9.758 3.411 1.00 0.70 H new ATOM 0 HB3 TRP A 30 2.141 -9.684 5.067 1.00 0.70 H new ATOM 0 HD1 TRP A 30 4.678 -11.607 3.183 1.00 0.95 H new ATOM 0 HE1 TRP A 30 6.684 -10.126 2.483 1.00 0.94 H new ATOM 0 HE3 TRP A 30 2.602 -7.031 4.099 1.00 0.64 H new ATOM 0 HZ2 TRP A 30 7.260 -7.390 2.368 1.00 0.74 H new ATOM 0 HZ3 TRP A 30 3.951 -5.018 3.666 1.00 0.72 H new ATOM 0 HH2 TRP A 30 6.250 -5.196 2.814 1.00 0.72 H new ATOM 466 N GLY A 31 0.776 -11.586 6.247 1.00 0.62 N ATOM 467 CA GLY A 31 -0.396 -11.902 7.047 1.00 0.71 C ATOM 468 C GLY A 31 -1.024 -10.694 7.722 1.00 0.78 C ATOM 469 O GLY A 31 -1.377 -10.764 8.898 1.00 1.67 O ATOM 0 H GLY A 31 1.496 -11.047 6.728 1.00 0.62 H new ATOM 0 HA2 GLY A 31 -1.141 -12.378 6.410 1.00 0.71 H new ATOM 0 HA3 GLY A 31 -0.118 -12.629 7.810 1.00 0.71 H new ATOM 473 N ALA A 32 -1.164 -9.597 6.971 1.00 0.52 N ATOM 474 CA ALA A 32 -1.867 -8.386 7.434 1.00 0.41 C ATOM 475 C ALA A 32 -1.155 -7.682 8.591 1.00 0.42 C ATOM 476 O ALA A 32 -0.961 -8.252 9.664 1.00 0.57 O ATOM 477 CB ALA A 32 -3.307 -8.706 7.819 1.00 0.44 C ATOM 0 H ALA A 32 -0.794 -9.519 6.024 1.00 0.52 H new ATOM 0 HA ALA A 32 -1.864 -7.694 6.592 1.00 0.41 H new ATOM 0 HB1 ALA A 32 -3.804 -7.797 8.157 1.00 0.44 H new ATOM 0 HB2 ALA A 32 -3.834 -9.107 6.954 1.00 0.44 H new ATOM 0 HB3 ALA A 32 -3.314 -9.443 8.622 1.00 0.44 H new ATOM 483 N MET A 33 -0.790 -6.422 8.372 1.00 0.33 N ATOM 484 CA MET A 33 -0.113 -5.627 9.391 1.00 0.32 C ATOM 485 C MET A 33 0.005 -4.174 8.957 1.00 0.27 C ATOM 486 O MET A 33 0.159 -3.880 7.770 1.00 0.26 O ATOM 487 CB MET A 33 1.271 -6.208 9.716 1.00 0.39 C ATOM 488 CG MET A 33 2.116 -6.545 8.496 1.00 0.49 C ATOM 489 SD MET A 33 3.675 -7.337 8.930 1.00 0.56 S ATOM 490 CE MET A 33 4.282 -7.814 7.312 1.00 0.84 C ATOM 0 H MET A 33 -0.953 -5.928 7.494 1.00 0.33 H new ATOM 0 HA MET A 33 -0.717 -5.665 10.297 1.00 0.32 H new ATOM 0 HB2 MET A 33 1.815 -5.493 10.333 1.00 0.39 H new ATOM 0 HB3 MET A 33 1.141 -7.111 10.313 1.00 0.39 H new ATOM 0 HG2 MET A 33 1.550 -7.203 7.837 1.00 0.49 H new ATOM 0 HG3 MET A 33 2.320 -5.632 7.936 1.00 0.49 H new ATOM 0 HE1 MET A 33 4.356 -8.900 7.257 1.00 0.84 H new ATOM 0 HE2 MET A 33 3.594 -7.457 6.546 1.00 0.84 H new ATOM 0 HE3 MET A 33 5.266 -7.375 7.149 1.00 0.84 H new ATOM 500 N THR A 34 -0.090 -3.271 9.919 1.00 0.28 N ATOM 501 CA THR A 34 0.010 -1.846 9.649 1.00 0.27 C ATOM 502 C THR A 34 1.464 -1.460 9.390 1.00 0.25 C ATOM 503 O THR A 34 2.282 -1.431 10.309 1.00 0.31 O ATOM 504 CB THR A 34 -0.542 -1.026 10.831 1.00 0.35 C ATOM 505 OG1 THR A 34 -1.816 -1.552 11.228 1.00 0.75 O ATOM 506 CG2 THR A 34 -0.694 0.440 10.456 1.00 0.46 C ATOM 0 H THR A 34 -0.237 -3.502 10.901 1.00 0.28 H new ATOM 0 HA THR A 34 -0.585 -1.625 8.763 1.00 0.27 H new ATOM 0 HB THR A 34 0.165 -1.099 11.658 1.00 0.35 H new ATOM 0 HG1 THR A 34 -2.165 -1.031 11.981 1.00 0.75 H new ATOM 0 HG21 THR A 34 -1.085 0.995 11.309 1.00 0.46 H new ATOM 0 HG22 THR A 34 0.277 0.846 10.174 1.00 0.46 H new ATOM 0 HG23 THR A 34 -1.383 0.531 9.617 1.00 0.46 H new ATOM 514 N MET A 35 1.783 -1.192 8.133 1.00 0.21 N ATOM 515 CA MET A 35 3.155 -0.882 7.746 1.00 0.24 C ATOM 516 C MET A 35 3.255 0.429 6.998 1.00 0.21 C ATOM 517 O MET A 35 2.261 0.962 6.513 1.00 0.29 O ATOM 518 CB MET A 35 3.735 -1.984 6.878 1.00 0.31 C ATOM 519 CG MET A 35 4.098 -3.234 7.644 1.00 1.05 C ATOM 520 SD MET A 35 4.713 -4.530 6.561 1.00 1.60 S ATOM 521 CE MET A 35 6.131 -3.694 5.860 1.00 1.45 C ATOM 0 H MET A 35 1.114 -1.182 7.363 1.00 0.21 H new ATOM 0 HA MET A 35 3.724 -0.799 8.672 1.00 0.24 H new ATOM 0 HB2 MET A 35 3.014 -2.241 6.102 1.00 0.31 H new ATOM 0 HB3 MET A 35 4.625 -1.607 6.374 1.00 0.31 H new ATOM 0 HG2 MET A 35 4.856 -2.995 8.390 1.00 1.05 H new ATOM 0 HG3 MET A 35 3.223 -3.596 8.183 1.00 1.05 H new ATOM 0 HE1 MET A 35 6.921 -4.419 5.664 1.00 1.45 H new ATOM 0 HE2 MET A 35 5.843 -3.210 4.927 1.00 1.45 H new ATOM 0 HE3 MET A 35 6.494 -2.943 6.561 1.00 1.45 H new ATOM 531 N GLU A 36 4.474 0.917 6.892 1.00 0.24 N ATOM 532 CA GLU A 36 4.751 2.179 6.226 1.00 0.26 C ATOM 533 C GLU A 36 5.368 1.927 4.850 1.00 0.25 C ATOM 534 O GLU A 36 6.207 1.039 4.691 1.00 0.34 O ATOM 535 CB GLU A 36 5.693 3.014 7.091 1.00 0.35 C ATOM 536 CG GLU A 36 5.951 4.413 6.555 1.00 0.46 C ATOM 537 CD GLU A 36 6.838 5.229 7.473 1.00 0.63 C ATOM 538 OE1 GLU A 36 7.256 4.702 8.525 1.00 1.00 O ATOM 539 OE2 GLU A 36 7.130 6.398 7.149 1.00 0.89 O ATOM 0 H GLU A 36 5.302 0.452 7.264 1.00 0.24 H new ATOM 0 HA GLU A 36 3.818 2.726 6.086 1.00 0.26 H new ATOM 0 HB2 GLU A 36 5.274 3.092 8.094 1.00 0.35 H new ATOM 0 HB3 GLU A 36 6.645 2.490 7.183 1.00 0.35 H new ATOM 0 HG2 GLU A 36 6.417 4.342 5.572 1.00 0.46 H new ATOM 0 HG3 GLU A 36 5.000 4.929 6.420 1.00 0.46 H new ATOM 546 N PHE A 37 4.935 2.699 3.859 1.00 0.21 N ATOM 547 CA PHE A 37 5.449 2.572 2.502 1.00 0.20 C ATOM 548 C PHE A 37 6.100 3.874 2.066 1.00 0.23 C ATOM 549 O PHE A 37 5.566 4.959 2.318 1.00 0.37 O ATOM 550 CB PHE A 37 4.331 2.188 1.521 1.00 0.24 C ATOM 551 CG PHE A 37 3.719 0.848 1.816 1.00 0.21 C ATOM 552 CD1 PHE A 37 2.655 0.732 2.696 1.00 0.26 C ATOM 553 CD2 PHE A 37 4.215 -0.297 1.219 1.00 0.28 C ATOM 554 CE1 PHE A 37 2.098 -0.500 2.974 1.00 0.25 C ATOM 555 CE2 PHE A 37 3.661 -1.532 1.491 1.00 0.31 C ATOM 556 CZ PHE A 37 2.602 -1.634 2.371 1.00 0.25 C ATOM 0 H PHE A 37 4.225 3.423 3.972 1.00 0.21 H new ATOM 0 HA PHE A 37 6.195 1.778 2.495 1.00 0.20 H new ATOM 0 HB2 PHE A 37 3.552 2.950 1.551 1.00 0.24 H new ATOM 0 HB3 PHE A 37 4.732 2.182 0.507 1.00 0.24 H new ATOM 0 HD1 PHE A 37 2.256 1.617 3.170 1.00 0.26 H new ATOM 0 HD2 PHE A 37 5.045 -0.224 0.532 1.00 0.28 H new ATOM 0 HE1 PHE A 37 1.269 -0.576 3.662 1.00 0.25 H new ATOM 0 HE2 PHE A 37 4.056 -2.418 1.016 1.00 0.31 H new ATOM 0 HZ PHE A 37 2.169 -2.600 2.587 1.00 0.25 H new ATOM 566 N ALA A 38 7.255 3.766 1.431 1.00 0.19 N ATOM 567 CA ALA A 38 7.968 4.933 0.942 1.00 0.21 C ATOM 568 C ALA A 38 7.353 5.416 -0.363 1.00 0.24 C ATOM 569 O ALA A 38 7.038 4.612 -1.240 1.00 0.34 O ATOM 570 CB ALA A 38 9.444 4.617 0.753 1.00 0.28 C ATOM 0 H ALA A 38 7.720 2.878 1.242 1.00 0.19 H new ATOM 0 HA ALA A 38 7.882 5.729 1.682 1.00 0.21 H new ATOM 0 HB1 ALA A 38 9.962 5.503 0.386 1.00 0.28 H new ATOM 0 HB2 ALA A 38 9.876 4.313 1.706 1.00 0.28 H new ATOM 0 HB3 ALA A 38 9.553 3.808 0.031 1.00 0.28 H new ATOM 576 N ALA A 39 7.173 6.721 -0.479 1.00 0.26 N ATOM 577 CA ALA A 39 6.574 7.311 -1.663 1.00 0.35 C ATOM 578 C ALA A 39 7.650 7.769 -2.635 1.00 0.42 C ATOM 579 O ALA A 39 8.714 8.239 -2.220 1.00 0.56 O ATOM 580 CB ALA A 39 5.687 8.490 -1.281 1.00 0.60 C ATOM 0 H ALA A 39 7.436 7.396 0.239 1.00 0.26 H new ATOM 0 HA ALA A 39 5.962 6.551 -2.148 1.00 0.35 H new ATOM 0 HB1 ALA A 39 5.246 8.920 -2.180 1.00 0.60 H new ATOM 0 HB2 ALA A 39 4.894 8.148 -0.616 1.00 0.60 H new ATOM 0 HB3 ALA A 39 6.286 9.246 -0.773 1.00 0.60 H new ATOM 586 N PRO A 40 7.393 7.621 -3.940 1.00 0.60 N ATOM 587 CA PRO A 40 8.273 8.148 -4.981 1.00 0.90 C ATOM 588 C PRO A 40 8.333 9.671 -4.920 1.00 0.96 C ATOM 589 O PRO A 40 7.380 10.314 -4.474 1.00 0.80 O ATOM 590 CB PRO A 40 7.619 7.686 -6.290 1.00 1.10 C ATOM 591 CG PRO A 40 6.681 6.596 -5.898 1.00 1.00 C ATOM 592 CD PRO A 40 6.230 6.922 -4.506 1.00 0.71 C ATOM 0 HA PRO A 40 9.300 7.798 -4.876 1.00 0.90 H new ATOM 0 HB2 PRO A 40 7.089 8.505 -6.775 1.00 1.10 H new ATOM 0 HB3 PRO A 40 8.366 7.326 -6.997 1.00 1.10 H new ATOM 0 HG2 PRO A 40 5.833 6.546 -6.581 1.00 1.00 H new ATOM 0 HG3 PRO A 40 7.175 5.625 -5.931 1.00 1.00 H new ATOM 0 HD2 PRO A 40 5.341 7.552 -4.507 1.00 0.71 H new ATOM 0 HD3 PRO A 40 5.984 6.024 -3.940 1.00 0.71 H new ATOM 600 N PRO A 41 9.448 10.271 -5.372 1.00 1.32 N ATOM 601 CA PRO A 41 9.655 11.728 -5.317 1.00 1.56 C ATOM 602 C PRO A 41 8.645 12.518 -6.155 1.00 1.53 C ATOM 603 O PRO A 41 8.693 13.750 -6.201 1.00 1.74 O ATOM 604 CB PRO A 41 11.069 11.915 -5.874 1.00 1.94 C ATOM 605 CG PRO A 41 11.350 10.675 -6.650 1.00 2.05 C ATOM 606 CD PRO A 41 10.609 9.576 -5.950 1.00 1.62 C ATOM 0 HA PRO A 41 9.523 12.104 -4.303 1.00 1.56 H new ATOM 0 HB2 PRO A 41 11.128 12.799 -6.509 1.00 1.94 H new ATOM 0 HB3 PRO A 41 11.794 12.050 -5.071 1.00 1.94 H new ATOM 0 HG2 PRO A 41 11.015 10.776 -7.682 1.00 2.05 H new ATOM 0 HG3 PRO A 41 12.420 10.467 -6.681 1.00 2.05 H new ATOM 0 HD2 PRO A 41 10.305 8.791 -6.642 1.00 1.62 H new ATOM 0 HD3 PRO A 41 11.220 9.104 -5.181 1.00 1.62 H new ATOM 614 N ALA A 42 7.747 11.806 -6.825 1.00 1.33 N ATOM 615 CA ALA A 42 6.690 12.436 -7.604 1.00 1.29 C ATOM 616 C ALA A 42 5.533 12.854 -6.700 1.00 1.14 C ATOM 617 O ALA A 42 4.739 13.729 -7.051 1.00 1.25 O ATOM 618 CB ALA A 42 6.200 11.490 -8.690 1.00 1.28 C ATOM 0 H ALA A 42 7.731 10.786 -6.844 1.00 1.33 H new ATOM 0 HA ALA A 42 7.096 13.330 -8.077 1.00 1.29 H new ATOM 0 HB1 ALA A 42 5.410 11.974 -9.265 1.00 1.28 H new ATOM 0 HB2 ALA A 42 7.028 11.237 -9.353 1.00 1.28 H new ATOM 0 HB3 ALA A 42 5.811 10.581 -8.232 1.00 1.28 H new ATOM 624 N GLY A 43 5.446 12.224 -5.535 1.00 0.93 N ATOM 625 CA GLY A 43 4.414 12.560 -4.582 1.00 0.86 C ATOM 626 C GLY A 43 3.200 11.663 -4.702 1.00 0.66 C ATOM 627 O GLY A 43 3.086 10.870 -5.642 1.00 0.67 O ATOM 0 H GLY A 43 6.078 11.482 -5.235 1.00 0.93 H new ATOM 0 HA2 GLY A 43 4.818 12.486 -3.572 1.00 0.86 H new ATOM 0 HA3 GLY A 43 4.112 13.597 -4.729 1.00 0.86 H new ATOM 631 N LEU A 44 2.291 11.798 -3.756 1.00 0.62 N ATOM 632 CA LEU A 44 1.107 10.956 -3.697 1.00 0.50 C ATOM 633 C LEU A 44 -0.070 11.599 -4.426 1.00 0.54 C ATOM 634 O LEU A 44 -0.219 12.821 -4.436 1.00 0.61 O ATOM 635 CB LEU A 44 0.708 10.669 -2.242 1.00 0.59 C ATOM 636 CG LEU A 44 1.703 9.836 -1.418 1.00 0.63 C ATOM 637 CD1 LEU A 44 2.168 8.620 -2.207 1.00 0.97 C ATOM 638 CD2 LEU A 44 2.889 10.674 -0.959 1.00 0.87 C ATOM 0 H LEU A 44 2.350 12.490 -3.009 1.00 0.62 H new ATOM 0 HA LEU A 44 1.357 10.018 -4.192 1.00 0.50 H new ATOM 0 HB2 LEU A 44 0.555 11.621 -1.734 1.00 0.59 H new ATOM 0 HB3 LEU A 44 -0.252 10.152 -2.245 1.00 0.59 H new ATOM 0 HG LEU A 44 1.185 9.488 -0.525 1.00 0.63 H new ATOM 0 HD11 LEU A 44 2.872 8.044 -1.606 1.00 0.97 H new ATOM 0 HD12 LEU A 44 1.309 7.997 -2.456 1.00 0.97 H new ATOM 0 HD13 LEU A 44 2.657 8.947 -3.125 1.00 0.97 H new ATOM 0 HD21 LEU A 44 3.571 10.052 -0.379 1.00 0.87 H new ATOM 0 HD22 LEU A 44 3.411 11.073 -1.829 1.00 0.87 H new ATOM 0 HD23 LEU A 44 2.534 11.498 -0.340 1.00 0.87 H new ATOM 650 N PRO A 45 -0.912 10.772 -5.059 1.00 0.54 N ATOM 651 CA PRO A 45 -2.142 11.231 -5.700 1.00 0.61 C ATOM 652 C PRO A 45 -3.233 11.559 -4.687 1.00 0.56 C ATOM 653 O PRO A 45 -2.979 11.669 -3.487 1.00 0.51 O ATOM 654 CB PRO A 45 -2.568 10.045 -6.562 1.00 0.69 C ATOM 655 CG PRO A 45 -1.953 8.849 -5.919 1.00 0.64 C ATOM 656 CD PRO A 45 -0.710 9.322 -5.212 1.00 0.54 C ATOM 0 HA PRO A 45 -1.982 12.149 -6.265 1.00 0.61 H new ATOM 0 HB2 PRO A 45 -3.654 9.956 -6.600 1.00 0.69 H new ATOM 0 HB3 PRO A 45 -2.222 10.161 -7.589 1.00 0.69 H new ATOM 0 HG2 PRO A 45 -2.647 8.390 -5.215 1.00 0.64 H new ATOM 0 HG3 PRO A 45 -1.709 8.093 -6.665 1.00 0.64 H new ATOM 0 HD2 PRO A 45 -0.591 8.832 -4.246 1.00 0.54 H new ATOM 0 HD3 PRO A 45 0.186 9.104 -5.793 1.00 0.54 H new ATOM 664 N GLN A 46 -4.446 11.713 -5.182 1.00 0.62 N ATOM 665 CA GLN A 46 -5.583 11.997 -4.328 1.00 0.61 C ATOM 666 C GLN A 46 -6.400 10.733 -4.127 1.00 0.57 C ATOM 667 O GLN A 46 -6.374 9.830 -4.965 1.00 0.64 O ATOM 668 CB GLN A 46 -6.474 13.089 -4.932 1.00 0.79 C ATOM 669 CG GLN A 46 -5.734 14.363 -5.315 1.00 1.44 C ATOM 670 CD GLN A 46 -4.944 14.220 -6.604 1.00 1.70 C ATOM 671 OE1 GLN A 46 -3.901 14.847 -6.779 1.00 2.12 O ATOM 672 NE2 GLN A 46 -5.432 13.379 -7.507 1.00 1.82 N ATOM 0 H GLN A 46 -4.670 11.646 -6.175 1.00 0.62 H new ATOM 0 HA GLN A 46 -5.205 12.353 -3.370 1.00 0.61 H new ATOM 0 HB2 GLN A 46 -6.968 12.690 -5.818 1.00 0.79 H new ATOM 0 HB3 GLN A 46 -7.257 13.339 -4.216 1.00 0.79 H new ATOM 0 HG2 GLN A 46 -6.452 15.176 -5.423 1.00 1.44 H new ATOM 0 HG3 GLN A 46 -5.056 14.641 -4.508 1.00 1.44 H new ATOM 0 HE21 GLN A 46 -6.301 12.879 -7.321 1.00 1.82 H new ATOM 0 HE22 GLN A 46 -4.938 13.233 -8.387 1.00 1.82 H new ATOM 681 N GLY A 47 -7.114 10.673 -3.019 1.00 0.57 N ATOM 682 CA GLY A 47 -7.993 9.551 -2.770 1.00 0.60 C ATOM 683 C GLY A 47 -7.396 8.522 -1.832 1.00 0.55 C ATOM 684 O GLY A 47 -7.953 7.440 -1.660 1.00 0.63 O ATOM 0 H GLY A 47 -7.102 11.381 -2.285 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -8.929 9.918 -2.349 1.00 0.60 H new ATOM 0 HA3 GLY A 47 -8.237 9.071 -3.718 1.00 0.60 H new ATOM 688 N LEU A 48 -6.271 8.860 -1.217 1.00 0.47 N ATOM 689 CA LEU A 48 -5.577 7.939 -0.332 1.00 0.49 C ATOM 690 C LEU A 48 -5.349 8.547 1.054 1.00 0.38 C ATOM 691 O LEU A 48 -4.248 8.481 1.595 1.00 0.47 O ATOM 692 CB LEU A 48 -4.247 7.518 -0.974 1.00 0.64 C ATOM 693 CG LEU A 48 -3.469 8.615 -1.726 1.00 0.64 C ATOM 694 CD1 LEU A 48 -3.093 9.783 -0.824 1.00 0.59 C ATOM 695 CD2 LEU A 48 -2.219 8.026 -2.341 1.00 1.06 C ATOM 0 H LEU A 48 -5.819 9.769 -1.316 1.00 0.47 H new ATOM 0 HA LEU A 48 -6.203 7.058 -0.191 1.00 0.49 H new ATOM 0 HB2 LEU A 48 -3.602 7.118 -0.192 1.00 0.64 H new ATOM 0 HB3 LEU A 48 -4.447 6.703 -1.670 1.00 0.64 H new ATOM 0 HG LEU A 48 -4.126 9.002 -2.505 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -2.547 10.528 -1.402 1.00 0.59 H new ATOM 0 HD12 LEU A 48 -3.998 10.233 -0.415 1.00 0.59 H new ATOM 0 HD13 LEU A 48 -2.465 9.425 -0.008 1.00 0.59 H new ATOM 0 HD21 LEU A 48 -1.672 8.806 -2.872 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -1.588 7.611 -1.555 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -2.495 7.236 -3.040 1.00 1.06 H new ATOM 707 N LYS A 49 -6.405 9.075 1.655 1.00 0.32 N ATOM 708 CA LYS A 49 -6.290 9.772 2.934 1.00 0.34 C ATOM 709 C LYS A 49 -6.573 8.816 4.085 1.00 0.29 C ATOM 710 O LYS A 49 -7.187 7.774 3.882 1.00 0.27 O ATOM 711 CB LYS A 49 -7.278 10.942 2.994 1.00 0.48 C ATOM 712 CG LYS A 49 -6.961 12.074 2.032 1.00 1.15 C ATOM 713 CD LYS A 49 -5.800 12.919 2.526 1.00 1.58 C ATOM 714 CE LYS A 49 -5.437 13.998 1.518 1.00 2.11 C ATOM 715 NZ LYS A 49 -4.345 14.878 2.009 1.00 3.00 N ATOM 0 H LYS A 49 -7.353 9.036 1.280 1.00 0.32 H new ATOM 0 HA LYS A 49 -5.273 10.154 3.024 1.00 0.34 H new ATOM 0 HB2 LYS A 49 -8.280 10.569 2.781 1.00 0.48 H new ATOM 0 HB3 LYS A 49 -7.295 11.337 4.010 1.00 0.48 H new ATOM 0 HG2 LYS A 49 -6.721 11.663 1.052 1.00 1.15 H new ATOM 0 HG3 LYS A 49 -7.842 12.703 1.907 1.00 1.15 H new ATOM 0 HD2 LYS A 49 -6.062 13.380 3.478 1.00 1.58 H new ATOM 0 HD3 LYS A 49 -4.935 12.282 2.708 1.00 1.58 H new ATOM 0 HE2 LYS A 49 -5.132 13.531 0.582 1.00 2.11 H new ATOM 0 HE3 LYS A 49 -6.318 14.602 1.301 1.00 2.11 H new ATOM 0 HZ1 LYS A 49 -4.130 15.599 1.290 1.00 3.00 H new ATOM 0 HZ2 LYS A 49 -4.644 15.345 2.889 1.00 3.00 H new ATOM 0 HZ3 LYS A 49 -3.495 14.307 2.192 1.00 3.00 H new ATOM 729 N ALA A 50 -6.093 9.167 5.281 1.00 0.31 N ATOM 730 CA ALA A 50 -6.331 8.375 6.486 1.00 0.30 C ATOM 731 C ALA A 50 -7.800 7.970 6.595 1.00 0.29 C ATOM 732 O ALA A 50 -8.673 8.812 6.813 1.00 0.35 O ATOM 733 CB ALA A 50 -5.912 9.180 7.706 1.00 0.37 C ATOM 0 H ALA A 50 -5.532 10.004 5.439 1.00 0.31 H new ATOM 0 HA ALA A 50 -5.738 7.462 6.430 1.00 0.30 H new ATOM 0 HB1 ALA A 50 -6.088 8.593 8.607 1.00 0.37 H new ATOM 0 HB2 ALA A 50 -4.852 9.425 7.634 1.00 0.37 H new ATOM 0 HB3 ALA A 50 -6.495 10.100 7.753 1.00 0.37 H new ATOM 739 N GLY A 51 -8.069 6.685 6.417 1.00 0.27 N ATOM 740 CA GLY A 51 -9.431 6.200 6.469 1.00 0.30 C ATOM 741 C GLY A 51 -9.899 5.611 5.149 1.00 0.29 C ATOM 742 O GLY A 51 -10.868 4.853 5.115 1.00 0.38 O ATOM 0 H GLY A 51 -7.366 5.968 6.237 1.00 0.27 H new ATOM 0 HA2 GLY A 51 -9.512 5.442 7.248 1.00 0.30 H new ATOM 0 HA3 GLY A 51 -10.093 7.019 6.751 1.00 0.30 H new ATOM 746 N ASP A 52 -9.209 5.941 4.060 1.00 0.24 N ATOM 747 CA ASP A 52 -9.602 5.462 2.738 1.00 0.25 C ATOM 748 C ASP A 52 -9.113 4.050 2.491 1.00 0.24 C ATOM 749 O ASP A 52 -8.164 3.578 3.123 1.00 0.28 O ATOM 750 CB ASP A 52 -9.062 6.360 1.622 1.00 0.28 C ATOM 751 CG ASP A 52 -9.868 7.631 1.434 1.00 0.38 C ATOM 752 OD1 ASP A 52 -11.081 7.540 1.151 1.00 0.53 O ATOM 753 OD2 ASP A 52 -9.293 8.732 1.582 1.00 0.48 O ATOM 0 H ASP A 52 -8.380 6.535 4.066 1.00 0.24 H new ATOM 0 HA ASP A 52 -10.692 5.482 2.723 1.00 0.25 H new ATOM 0 HB2 ASP A 52 -8.028 6.623 1.845 1.00 0.28 H new ATOM 0 HB3 ASP A 52 -9.054 5.801 0.686 1.00 0.28 H new ATOM 758 N ARG A 53 -9.765 3.384 1.556 1.00 0.27 N ATOM 759 CA ARG A 53 -9.355 2.073 1.120 1.00 0.31 C ATOM 760 C ARG A 53 -8.816 2.176 -0.299 1.00 0.31 C ATOM 761 O ARG A 53 -9.516 2.630 -1.198 1.00 0.50 O ATOM 762 CB ARG A 53 -10.542 1.113 1.196 1.00 0.45 C ATOM 763 CG ARG A 53 -10.181 -0.331 0.906 1.00 0.75 C ATOM 764 CD ARG A 53 -11.287 -1.277 1.356 1.00 1.03 C ATOM 765 NE ARG A 53 -11.050 -2.656 0.928 1.00 1.87 N ATOM 766 CZ ARG A 53 -11.264 -3.726 1.697 1.00 2.33 C ATOM 767 NH1 ARG A 53 -11.762 -3.582 2.919 1.00 2.43 N ATOM 768 NH2 ARG A 53 -10.998 -4.944 1.240 1.00 3.26 N ATOM 0 H ARG A 53 -10.594 3.742 1.081 1.00 0.27 H new ATOM 0 HA ARG A 53 -8.568 1.684 1.766 1.00 0.31 H new ATOM 0 HB2 ARG A 53 -10.984 1.175 2.190 1.00 0.45 H new ATOM 0 HB3 ARG A 53 -11.305 1.436 0.488 1.00 0.45 H new ATOM 0 HG2 ARG A 53 -10.004 -0.457 -0.162 1.00 0.75 H new ATOM 0 HG3 ARG A 53 -9.252 -0.586 1.415 1.00 0.75 H new ATOM 0 HD2 ARG A 53 -11.368 -1.246 2.442 1.00 1.03 H new ATOM 0 HD3 ARG A 53 -12.241 -0.934 0.955 1.00 1.03 H new ATOM 0 HE ARG A 53 -10.699 -2.809 -0.017 1.00 1.87 H new ATOM 0 HH11 ARG A 53 -11.983 -2.651 3.273 1.00 2.43 H new ATOM 0 HH12 ARG A 53 -11.924 -4.402 3.504 1.00 2.43 H new ATOM 0 HH21 ARG A 53 -10.628 -5.065 0.297 1.00 3.26 H new ATOM 0 HH22 ARG A 53 -11.163 -5.758 1.832 1.00 3.26 H new ATOM 782 N VAL A 54 -7.565 1.790 -0.487 1.00 0.19 N ATOM 783 CA VAL A 54 -6.907 1.923 -1.779 1.00 0.19 C ATOM 784 C VAL A 54 -6.257 0.606 -2.194 1.00 0.15 C ATOM 785 O VAL A 54 -5.976 -0.253 -1.353 1.00 0.19 O ATOM 786 CB VAL A 54 -5.838 3.040 -1.748 1.00 0.23 C ATOM 787 CG1 VAL A 54 -6.493 4.408 -1.649 1.00 0.30 C ATOM 788 CG2 VAL A 54 -4.888 2.824 -0.582 1.00 0.25 C ATOM 0 H VAL A 54 -6.981 1.380 0.242 1.00 0.19 H new ATOM 0 HA VAL A 54 -7.671 2.189 -2.509 1.00 0.19 H new ATOM 0 HB VAL A 54 -5.270 2.999 -2.677 1.00 0.23 H new ATOM 0 HG11 VAL A 54 -5.723 5.179 -1.629 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -7.141 4.565 -2.512 1.00 0.30 H new ATOM 0 HG13 VAL A 54 -7.086 4.462 -0.736 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -4.140 3.617 -0.571 1.00 0.25 H new ATOM 0 HG22 VAL A 54 -5.449 2.841 0.352 1.00 0.25 H new ATOM 0 HG23 VAL A 54 -4.393 1.859 -0.690 1.00 0.25 H new ATOM 798 N ALA A 55 -6.053 0.442 -3.489 1.00 0.14 N ATOM 799 CA ALA A 55 -5.384 -0.736 -4.020 1.00 0.13 C ATOM 800 C ALA A 55 -4.042 -0.330 -4.599 1.00 0.13 C ATOM 801 O ALA A 55 -3.984 0.388 -5.596 1.00 0.16 O ATOM 802 CB ALA A 55 -6.242 -1.412 -5.080 1.00 0.15 C ATOM 0 H ALA A 55 -6.343 1.115 -4.199 1.00 0.14 H new ATOM 0 HA ALA A 55 -5.227 -1.452 -3.213 1.00 0.13 H new ATOM 0 HB1 ALA A 55 -5.722 -2.290 -5.463 1.00 0.15 H new ATOM 0 HB2 ALA A 55 -7.192 -1.716 -4.640 1.00 0.15 H new ATOM 0 HB3 ALA A 55 -6.427 -0.715 -5.897 1.00 0.15 H new ATOM 808 N PHE A 56 -2.968 -0.765 -3.967 1.00 0.16 N ATOM 809 CA PHE A 56 -1.642 -0.330 -4.359 1.00 0.16 C ATOM 810 C PHE A 56 -0.718 -1.500 -4.649 1.00 0.15 C ATOM 811 O PHE A 56 -1.071 -2.664 -4.471 1.00 0.17 O ATOM 812 CB PHE A 56 -1.017 0.572 -3.282 1.00 0.19 C ATOM 813 CG PHE A 56 -1.120 0.040 -1.876 1.00 0.21 C ATOM 814 CD1 PHE A 56 -2.293 0.182 -1.153 1.00 0.26 C ATOM 815 CD2 PHE A 56 -0.046 -0.609 -1.281 1.00 0.27 C ATOM 816 CE1 PHE A 56 -2.395 -0.310 0.136 1.00 0.34 C ATOM 817 CE2 PHE A 56 -0.142 -1.101 0.006 1.00 0.33 C ATOM 818 CZ PHE A 56 -1.300 -0.933 0.722 1.00 0.36 C ATOM 0 H PHE A 56 -2.988 -1.417 -3.183 1.00 0.16 H new ATOM 0 HA PHE A 56 -1.760 0.241 -5.280 1.00 0.16 H new ATOM 0 HB2 PHE A 56 0.035 0.725 -3.522 1.00 0.19 H new ATOM 0 HB3 PHE A 56 -1.498 1.549 -3.322 1.00 0.19 H new ATOM 0 HD1 PHE A 56 -3.138 0.683 -1.601 1.00 0.26 H new ATOM 0 HD2 PHE A 56 0.875 -0.730 -1.831 1.00 0.27 H new ATOM 0 HE1 PHE A 56 -3.321 -0.210 0.684 1.00 0.34 H new ATOM 0 HE2 PHE A 56 0.696 -1.619 0.449 1.00 0.33 H new ATOM 0 HZ PHE A 56 -1.361 -1.285 1.741 1.00 0.36 H new ATOM 828 N SER A 57 0.460 -1.165 -5.127 1.00 0.23 N ATOM 829 CA SER A 57 1.514 -2.123 -5.340 1.00 0.27 C ATOM 830 C SER A 57 2.774 -1.614 -4.672 1.00 0.30 C ATOM 831 O SER A 57 3.002 -0.405 -4.614 1.00 0.51 O ATOM 832 CB SER A 57 1.743 -2.321 -6.836 1.00 0.37 C ATOM 833 OG SER A 57 1.890 -1.075 -7.501 1.00 1.08 O ATOM 0 H SER A 57 0.712 -0.210 -5.380 1.00 0.23 H new ATOM 0 HA SER A 57 1.238 -3.085 -4.908 1.00 0.27 H new ATOM 0 HB2 SER A 57 2.635 -2.928 -6.993 1.00 0.37 H new ATOM 0 HB3 SER A 57 0.905 -2.869 -7.266 1.00 0.37 H new ATOM 0 HG SER A 57 2.069 -1.231 -8.452 1.00 1.08 H new ATOM 839 N PHE A 58 3.576 -2.515 -4.142 1.00 0.21 N ATOM 840 CA PHE A 58 4.828 -2.122 -3.526 1.00 0.23 C ATOM 841 C PHE A 58 5.958 -2.992 -4.035 1.00 0.20 C ATOM 842 O PHE A 58 5.790 -4.195 -4.245 1.00 0.23 O ATOM 843 CB PHE A 58 4.747 -2.188 -1.996 1.00 0.29 C ATOM 844 CG PHE A 58 4.636 -3.578 -1.430 1.00 0.30 C ATOM 845 CD1 PHE A 58 3.424 -4.249 -1.421 1.00 0.33 C ATOM 846 CD2 PHE A 58 5.748 -4.208 -0.887 1.00 0.36 C ATOM 847 CE1 PHE A 58 3.324 -5.521 -0.890 1.00 0.37 C ATOM 848 CE2 PHE A 58 5.654 -5.480 -0.355 1.00 0.41 C ATOM 849 CZ PHE A 58 4.439 -6.137 -0.354 1.00 0.40 C ATOM 0 H PHE A 58 3.386 -3.517 -4.125 1.00 0.21 H new ATOM 0 HA PHE A 58 5.026 -1.086 -3.802 1.00 0.23 H new ATOM 0 HB2 PHE A 58 5.633 -1.710 -1.578 1.00 0.29 H new ATOM 0 HB3 PHE A 58 3.886 -1.607 -1.666 1.00 0.29 H new ATOM 0 HD1 PHE A 58 2.547 -3.773 -1.834 1.00 0.33 H new ATOM 0 HD2 PHE A 58 6.699 -3.697 -0.880 1.00 0.36 H new ATOM 0 HE1 PHE A 58 2.374 -6.034 -0.894 1.00 0.37 H new ATOM 0 HE2 PHE A 58 6.529 -5.959 0.059 1.00 0.41 H new ATOM 0 HZ PHE A 58 4.361 -7.129 0.065 1.00 0.40 H new ATOM 859 N ARG A 59 7.104 -2.380 -4.244 1.00 0.23 N ATOM 860 CA ARG A 59 8.264 -3.096 -4.729 1.00 0.29 C ATOM 861 C ARG A 59 9.306 -3.174 -3.629 1.00 0.38 C ATOM 862 O ARG A 59 9.575 -2.181 -2.950 1.00 0.53 O ATOM 863 CB ARG A 59 8.851 -2.398 -5.955 1.00 0.42 C ATOM 864 CG ARG A 59 9.804 -3.273 -6.747 1.00 0.59 C ATOM 865 CD ARG A 59 10.527 -2.479 -7.818 1.00 0.63 C ATOM 866 NE ARG A 59 11.501 -1.555 -7.238 1.00 1.59 N ATOM 867 CZ ARG A 59 11.821 -0.371 -7.757 1.00 2.06 C ATOM 868 NH1 ARG A 59 11.229 0.060 -8.866 1.00 1.94 N ATOM 869 NH2 ARG A 59 12.734 0.382 -7.158 1.00 3.07 N ATOM 0 H ARG A 59 7.257 -1.384 -4.085 1.00 0.23 H new ATOM 0 HA ARG A 59 7.963 -4.103 -5.017 1.00 0.29 H new ATOM 0 HB2 ARG A 59 8.037 -2.078 -6.606 1.00 0.42 H new ATOM 0 HB3 ARG A 59 9.376 -1.498 -5.635 1.00 0.42 H new ATOM 0 HG2 ARG A 59 10.532 -3.723 -6.072 1.00 0.59 H new ATOM 0 HG3 ARG A 59 9.250 -4.090 -7.210 1.00 0.59 H new ATOM 0 HD2 ARG A 59 11.034 -3.163 -8.499 1.00 0.63 H new ATOM 0 HD3 ARG A 59 9.802 -1.920 -8.409 1.00 0.63 H new ATOM 0 HE ARG A 59 11.968 -1.837 -6.376 1.00 1.59 H new ATOM 0 HH11 ARG A 59 10.524 -0.517 -9.325 1.00 1.94 H new ATOM 0 HH12 ARG A 59 11.479 0.968 -9.258 1.00 1.94 H new ATOM 0 HH21 ARG A 59 13.186 0.053 -6.305 1.00 3.07 H new ATOM 0 HH22 ARG A 59 12.984 1.290 -7.550 1.00 3.07 H new ATOM 883 N LEU A 60 9.872 -4.349 -3.440 1.00 0.37 N ATOM 884 CA LEU A 60 10.910 -4.531 -2.443 1.00 0.46 C ATOM 885 C LEU A 60 12.266 -4.275 -3.060 1.00 0.59 C ATOM 886 O LEU A 60 12.662 -4.939 -4.016 1.00 0.71 O ATOM 887 CB LEU A 60 10.852 -5.938 -1.842 1.00 0.53 C ATOM 888 CG LEU A 60 9.883 -6.123 -0.663 1.00 0.57 C ATOM 889 CD1 LEU A 60 10.622 -6.125 0.658 1.00 1.04 C ATOM 890 CD2 LEU A 60 8.844 -5.028 -0.628 1.00 0.83 C ATOM 0 H LEU A 60 9.632 -5.192 -3.962 1.00 0.37 H new ATOM 0 HA LEU A 60 10.745 -3.816 -1.637 1.00 0.46 H new ATOM 0 HB2 LEU A 60 10.573 -6.638 -2.630 1.00 0.53 H new ATOM 0 HB3 LEU A 60 11.854 -6.213 -1.511 1.00 0.53 H new ATOM 0 HG LEU A 60 9.392 -7.085 -0.810 1.00 0.57 H new ATOM 0 HD11 LEU A 60 9.910 -6.258 1.473 1.00 1.04 H new ATOM 0 HD12 LEU A 60 11.344 -6.942 0.670 1.00 1.04 H new ATOM 0 HD13 LEU A 60 11.145 -5.177 0.784 1.00 1.04 H new ATOM 0 HD21 LEU A 60 8.175 -5.188 0.217 1.00 0.83 H new ATOM 0 HD22 LEU A 60 9.337 -4.062 -0.522 1.00 0.83 H new ATOM 0 HD23 LEU A 60 8.269 -5.042 -1.554 1.00 0.83 H new ATOM 902 N ASP A 61 12.956 -3.287 -2.535 1.00 0.69 N ATOM 903 CA ASP A 61 14.286 -2.962 -3.007 1.00 0.92 C ATOM 904 C ASP A 61 15.310 -3.759 -2.212 1.00 1.02 C ATOM 905 O ASP A 61 14.972 -4.335 -1.175 1.00 0.96 O ATOM 906 CB ASP A 61 14.554 -1.457 -2.908 1.00 1.08 C ATOM 907 CG ASP A 61 13.777 -0.655 -3.934 1.00 1.45 C ATOM 908 OD1 ASP A 61 14.200 -0.607 -5.105 1.00 1.87 O ATOM 909 OD2 ASP A 61 12.727 -0.074 -3.571 1.00 1.77 O ATOM 0 H ASP A 61 12.618 -2.692 -1.779 1.00 0.69 H new ATOM 0 HA ASP A 61 14.367 -3.232 -4.060 1.00 0.92 H new ATOM 0 HB2 ASP A 61 14.292 -1.111 -1.908 1.00 1.08 H new ATOM 0 HB3 ASP A 61 15.620 -1.273 -3.040 1.00 1.08 H new ATOM 914 N PRO A 62 16.576 -3.793 -2.666 1.00 1.24 N ATOM 915 CA PRO A 62 17.618 -4.658 -2.093 1.00 1.37 C ATOM 916 C PRO A 62 17.978 -4.293 -0.656 1.00 1.40 C ATOM 917 O PRO A 62 18.867 -4.895 -0.054 1.00 1.57 O ATOM 918 CB PRO A 62 18.827 -4.445 -3.017 1.00 1.62 C ATOM 919 CG PRO A 62 18.274 -3.789 -4.236 1.00 1.62 C ATOM 920 CD PRO A 62 17.103 -2.981 -3.768 1.00 1.42 C ATOM 0 HA PRO A 62 17.281 -5.693 -2.040 1.00 1.37 H new ATOM 0 HB2 PRO A 62 19.582 -3.819 -2.541 1.00 1.62 H new ATOM 0 HB3 PRO A 62 19.307 -5.392 -3.263 1.00 1.62 H new ATOM 0 HG2 PRO A 62 19.022 -3.155 -4.712 1.00 1.62 H new ATOM 0 HG3 PRO A 62 17.968 -4.530 -4.974 1.00 1.62 H new ATOM 0 HD2 PRO A 62 17.403 -1.988 -3.433 1.00 1.42 H new ATOM 0 HD3 PRO A 62 16.365 -2.841 -4.558 1.00 1.42 H new ATOM 928 N HIS A 63 17.295 -3.296 -0.119 1.00 1.30 N ATOM 929 CA HIS A 63 17.496 -2.882 1.258 1.00 1.38 C ATOM 930 C HIS A 63 16.485 -3.569 2.160 1.00 1.28 C ATOM 931 O HIS A 63 16.666 -3.653 3.376 1.00 1.42 O ATOM 932 CB HIS A 63 17.360 -1.364 1.389 1.00 1.49 C ATOM 933 CG HIS A 63 18.548 -0.599 0.887 1.00 1.71 C ATOM 934 ND1 HIS A 63 19.110 0.451 1.577 1.00 2.10 N ATOM 935 CD2 HIS A 63 19.276 -0.732 -0.247 1.00 1.99 C ATOM 936 CE1 HIS A 63 20.131 0.929 0.895 1.00 2.43 C ATOM 937 NE2 HIS A 63 20.251 0.229 -0.215 1.00 2.36 N ATOM 0 H HIS A 63 16.591 -2.755 -0.621 1.00 1.30 H new ATOM 0 HA HIS A 63 18.503 -3.169 1.561 1.00 1.38 H new ATOM 0 HB2 HIS A 63 16.475 -1.040 0.842 1.00 1.49 H new ATOM 0 HB3 HIS A 63 17.196 -1.113 2.437 1.00 1.49 H new ATOM 0 HD2 HIS A 63 19.117 -1.459 -1.030 1.00 1.99 H new ATOM 0 HE1 HIS A 63 20.761 1.753 1.194 1.00 2.43 H new ATOM 0 HE2 HIS A 63 20.957 0.379 -0.935 1.00 2.36 H new ATOM 946 N GLY A 64 15.415 -4.063 1.554 1.00 1.08 N ATOM 947 CA GLY A 64 14.357 -4.688 2.316 1.00 1.04 C ATOM 948 C GLY A 64 13.270 -3.698 2.636 1.00 0.92 C ATOM 949 O GLY A 64 12.433 -3.925 3.509 1.00 1.01 O ATOM 0 H GLY A 64 15.262 -4.041 0.546 1.00 1.08 H new ATOM 0 HA2 GLY A 64 13.940 -5.522 1.751 1.00 1.04 H new ATOM 0 HA3 GLY A 64 14.763 -5.100 3.240 1.00 1.04 H new ATOM 953 N MET A 65 13.297 -2.584 1.925 1.00 0.80 N ATOM 954 CA MET A 65 12.326 -1.529 2.117 1.00 0.75 C ATOM 955 C MET A 65 11.114 -1.773 1.245 1.00 0.57 C ATOM 956 O MET A 65 11.210 -2.414 0.196 1.00 0.53 O ATOM 957 CB MET A 65 12.938 -0.166 1.801 1.00 0.88 C ATOM 958 CG MET A 65 14.058 0.222 2.748 1.00 1.22 C ATOM 959 SD MET A 65 13.494 0.410 4.450 1.00 1.93 S ATOM 960 CE MET A 65 15.030 0.833 5.270 1.00 2.74 C ATOM 0 H MET A 65 13.990 -2.389 1.203 1.00 0.80 H new ATOM 0 HA MET A 65 12.017 -1.531 3.162 1.00 0.75 H new ATOM 0 HB2 MET A 65 13.321 -0.175 0.781 1.00 0.88 H new ATOM 0 HB3 MET A 65 12.157 0.594 1.842 1.00 0.88 H new ATOM 0 HG2 MET A 65 14.840 -0.537 2.710 1.00 1.22 H new ATOM 0 HG3 MET A 65 14.505 1.158 2.412 1.00 1.22 H new ATOM 0 HE1 MET A 65 14.846 0.981 6.334 1.00 2.74 H new ATOM 0 HE2 MET A 65 15.749 0.025 5.136 1.00 2.74 H new ATOM 0 HE3 MET A 65 15.431 1.751 4.840 1.00 2.74 H new ATOM 970 N ALA A 66 9.983 -1.265 1.687 1.00 0.52 N ATOM 971 CA ALA A 66 8.737 -1.467 0.983 1.00 0.43 C ATOM 972 C ALA A 66 8.339 -0.170 0.311 1.00 0.36 C ATOM 973 O ALA A 66 7.789 0.740 0.941 1.00 0.42 O ATOM 974 CB ALA A 66 7.651 -1.957 1.934 1.00 0.54 C ATOM 0 H ALA A 66 9.902 -0.706 2.536 1.00 0.52 H new ATOM 0 HA ALA A 66 8.866 -2.237 0.222 1.00 0.43 H new ATOM 0 HB1 ALA A 66 6.722 -2.102 1.382 1.00 0.54 H new ATOM 0 HB2 ALA A 66 7.959 -2.902 2.381 1.00 0.54 H new ATOM 0 HB3 ALA A 66 7.494 -1.218 2.719 1.00 0.54 H new ATOM 980 N THR A 67 8.655 -0.075 -0.959 1.00 0.30 N ATOM 981 CA THR A 67 8.464 1.156 -1.686 1.00 0.30 C ATOM 982 C THR A 67 7.153 1.127 -2.459 1.00 0.25 C ATOM 983 O THR A 67 6.916 0.232 -3.274 1.00 0.26 O ATOM 984 CB THR A 67 9.645 1.404 -2.637 1.00 0.36 C ATOM 985 OG1 THR A 67 10.852 0.900 -2.037 1.00 0.71 O ATOM 986 CG2 THR A 67 9.807 2.890 -2.898 1.00 0.66 C ATOM 0 H THR A 67 9.047 -0.838 -1.511 1.00 0.30 H new ATOM 0 HA THR A 67 8.418 1.975 -0.969 1.00 0.30 H new ATOM 0 HB THR A 67 9.452 0.893 -3.580 1.00 0.36 H new ATOM 0 HG1 THR A 67 11.568 0.884 -2.706 1.00 0.71 H new ATOM 0 HG21 THR A 67 10.647 3.051 -3.573 1.00 0.66 H new ATOM 0 HG22 THR A 67 8.896 3.281 -3.352 1.00 0.66 H new ATOM 0 HG23 THR A 67 9.994 3.407 -1.957 1.00 0.66 H new ATOM 994 N LEU A 68 6.303 2.101 -2.180 1.00 0.24 N ATOM 995 CA LEU A 68 4.991 2.185 -2.798 1.00 0.23 C ATOM 996 C LEU A 68 5.143 2.554 -4.273 1.00 0.22 C ATOM 997 O LEU A 68 5.815 3.529 -4.609 1.00 0.34 O ATOM 998 CB LEU A 68 4.146 3.228 -2.058 1.00 0.27 C ATOM 999 CG LEU A 68 2.699 2.822 -1.756 1.00 0.56 C ATOM 1000 CD1 LEU A 68 1.983 3.936 -1.011 1.00 1.18 C ATOM 1001 CD2 LEU A 68 1.949 2.478 -3.029 1.00 1.09 C ATOM 0 H LEU A 68 6.502 2.853 -1.521 1.00 0.24 H new ATOM 0 HA LEU A 68 4.487 1.221 -2.734 1.00 0.23 H new ATOM 0 HB2 LEU A 68 4.640 3.467 -1.116 1.00 0.27 H new ATOM 0 HB3 LEU A 68 4.131 4.143 -2.651 1.00 0.27 H new ATOM 0 HG LEU A 68 2.724 1.933 -1.126 1.00 0.56 H new ATOM 0 HD11 LEU A 68 0.957 3.634 -0.803 1.00 1.18 H new ATOM 0 HD12 LEU A 68 2.499 4.136 -0.072 1.00 1.18 H new ATOM 0 HD13 LEU A 68 1.979 4.838 -1.622 1.00 1.18 H new ATOM 0 HD21 LEU A 68 0.926 2.194 -2.783 1.00 1.09 H new ATOM 0 HD22 LEU A 68 1.936 3.345 -3.689 1.00 1.09 H new ATOM 0 HD23 LEU A 68 2.446 1.647 -3.531 1.00 1.09 H new ATOM 1013 N VAL A 69 4.523 1.773 -5.146 1.00 0.21 N ATOM 1014 CA VAL A 69 4.716 1.937 -6.582 1.00 0.23 C ATOM 1015 C VAL A 69 3.557 2.704 -7.205 1.00 0.23 C ATOM 1016 O VAL A 69 3.724 3.823 -7.691 1.00 0.30 O ATOM 1017 CB VAL A 69 4.859 0.570 -7.287 1.00 0.29 C ATOM 1018 CG1 VAL A 69 5.162 0.752 -8.769 1.00 1.01 C ATOM 1019 CG2 VAL A 69 5.934 -0.270 -6.612 1.00 0.98 C ATOM 0 H VAL A 69 3.884 1.021 -4.888 1.00 0.21 H new ATOM 0 HA VAL A 69 5.636 2.505 -6.719 1.00 0.23 H new ATOM 0 HB VAL A 69 3.910 0.041 -7.202 1.00 0.29 H new ATOM 0 HG11 VAL A 69 5.258 -0.225 -9.243 1.00 1.01 H new ATOM 0 HG12 VAL A 69 4.351 1.306 -9.241 1.00 1.01 H new ATOM 0 HG13 VAL A 69 6.094 1.305 -8.885 1.00 1.01 H new ATOM 0 HG21 VAL A 69 6.020 -1.229 -7.123 1.00 0.98 H new ATOM 0 HG22 VAL A 69 6.889 0.254 -6.660 1.00 0.98 H new ATOM 0 HG23 VAL A 69 5.664 -0.437 -5.569 1.00 0.98 H new ATOM 1029 N THR A 70 2.384 2.094 -7.187 1.00 0.19 N ATOM 1030 CA THR A 70 1.184 2.731 -7.702 1.00 0.21 C ATOM 1031 C THR A 70 0.020 2.457 -6.771 1.00 0.22 C ATOM 1032 O THR A 70 -0.071 1.371 -6.205 1.00 0.32 O ATOM 1033 CB THR A 70 0.830 2.231 -9.119 1.00 0.28 C ATOM 1034 OG1 THR A 70 0.858 0.799 -9.165 1.00 0.42 O ATOM 1035 CG2 THR A 70 1.785 2.794 -10.159 1.00 0.37 C ATOM 0 H THR A 70 2.237 1.154 -6.819 1.00 0.19 H new ATOM 0 HA THR A 70 1.379 3.802 -7.760 1.00 0.21 H new ATOM 0 HB THR A 70 -0.176 2.581 -9.350 1.00 0.28 H new ATOM 0 HG1 THR A 70 1.212 0.451 -8.320 1.00 0.42 H new ATOM 0 HG21 THR A 70 1.508 2.423 -11.146 1.00 0.37 H new ATOM 0 HG22 THR A 70 1.730 3.883 -10.152 1.00 0.37 H new ATOM 0 HG23 THR A 70 2.803 2.481 -9.926 1.00 0.37 H new ATOM 1043 N VAL A 71 -0.851 3.435 -6.603 1.00 0.20 N ATOM 1044 CA VAL A 71 -2.019 3.268 -5.757 1.00 0.20 C ATOM 1045 C VAL A 71 -3.264 3.789 -6.471 1.00 0.20 C ATOM 1046 O VAL A 71 -3.316 4.938 -6.914 1.00 0.25 O ATOM 1047 CB VAL A 71 -1.840 3.970 -4.386 1.00 0.24 C ATOM 1048 CG1 VAL A 71 -1.678 5.465 -4.540 1.00 0.32 C ATOM 1049 CG2 VAL A 71 -3.001 3.664 -3.460 1.00 0.24 C ATOM 0 H VAL A 71 -0.772 4.353 -7.041 1.00 0.20 H new ATOM 0 HA VAL A 71 -2.142 2.203 -5.562 1.00 0.20 H new ATOM 0 HB VAL A 71 -0.926 3.575 -3.943 1.00 0.24 H new ATOM 0 HG11 VAL A 71 -1.555 5.921 -3.558 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -0.799 5.675 -5.150 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -2.563 5.879 -5.024 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -2.849 4.169 -2.506 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -3.929 4.014 -3.912 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -3.061 2.588 -3.295 1.00 0.24 H new ATOM 1059 N ALA A 72 -4.249 2.926 -6.614 1.00 0.23 N ATOM 1060 CA ALA A 72 -5.488 3.290 -7.267 1.00 0.27 C ATOM 1061 C ALA A 72 -6.613 3.355 -6.249 1.00 0.26 C ATOM 1062 O ALA A 72 -6.688 2.511 -5.350 1.00 0.24 O ATOM 1063 CB ALA A 72 -5.821 2.291 -8.366 1.00 0.29 C ATOM 0 H ALA A 72 -4.214 1.961 -6.284 1.00 0.23 H new ATOM 0 HA ALA A 72 -5.370 4.274 -7.721 1.00 0.27 H new ATOM 0 HB1 ALA A 72 -6.756 2.578 -8.848 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -5.020 2.282 -9.105 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -5.927 1.296 -7.933 1.00 0.29 H new ATOM 1069 N PRO A 73 -7.472 4.379 -6.348 1.00 0.37 N ATOM 1070 CA PRO A 73 -8.644 4.515 -5.485 1.00 0.42 C ATOM 1071 C PRO A 73 -9.510 3.268 -5.467 1.00 0.40 C ATOM 1072 O PRO A 73 -10.203 2.955 -6.435 1.00 0.52 O ATOM 1073 CB PRO A 73 -9.413 5.668 -6.108 1.00 0.59 C ATOM 1074 CG PRO A 73 -8.364 6.497 -6.757 1.00 0.81 C ATOM 1075 CD PRO A 73 -7.351 5.515 -7.285 1.00 0.50 C ATOM 0 HA PRO A 73 -8.355 4.678 -4.447 1.00 0.42 H new ATOM 0 HB2 PRO A 73 -10.145 5.313 -6.833 1.00 0.59 H new ATOM 0 HB3 PRO A 73 -9.960 6.235 -5.355 1.00 0.59 H new ATOM 0 HG2 PRO A 73 -8.782 7.101 -7.562 1.00 0.81 H new ATOM 0 HG3 PRO A 73 -7.910 7.185 -6.044 1.00 0.81 H new ATOM 0 HD2 PRO A 73 -7.572 5.218 -8.310 1.00 0.50 H new ATOM 0 HD3 PRO A 73 -6.345 5.933 -7.285 1.00 0.50 H new ATOM 1083 N GLN A 74 -9.440 2.549 -4.369 1.00 0.39 N ATOM 1084 CA GLN A 74 -10.253 1.381 -4.167 1.00 0.42 C ATOM 1085 C GLN A 74 -11.588 1.773 -3.572 1.00 0.38 C ATOM 1086 O GLN A 74 -11.826 2.937 -3.236 1.00 0.49 O ATOM 1087 CB GLN A 74 -9.562 0.436 -3.205 1.00 0.59 C ATOM 1088 CG GLN A 74 -9.677 -1.013 -3.574 1.00 0.72 C ATOM 1089 CD GLN A 74 -9.583 -1.909 -2.359 1.00 0.55 C ATOM 1090 OE1 GLN A 74 -10.593 -2.280 -1.772 1.00 1.08 O ATOM 1091 NE2 GLN A 74 -8.372 -2.201 -1.931 1.00 0.47 N ATOM 0 H GLN A 74 -8.815 2.762 -3.592 1.00 0.39 H new ATOM 0 HA GLN A 74 -10.404 0.895 -5.131 1.00 0.42 H new ATOM 0 HB2 GLN A 74 -8.506 0.702 -3.148 1.00 0.59 H new ATOM 0 HB3 GLN A 74 -9.981 0.580 -2.209 1.00 0.59 H new ATOM 0 HG2 GLN A 74 -10.627 -1.185 -4.081 1.00 0.72 H new ATOM 0 HG3 GLN A 74 -8.888 -1.273 -4.280 1.00 0.72 H new ATOM 0 HE21 GLN A 74 -7.556 -1.874 -2.448 1.00 0.47 H new ATOM 0 HE22 GLN A 74 -8.250 -2.754 -1.083 1.00 0.47 H new ATOM 1100 N VAL A 75 -12.453 0.792 -3.451 1.00 0.41 N ATOM 1101 CA VAL A 75 -13.699 0.964 -2.753 1.00 0.54 C ATOM 1102 C VAL A 75 -14.259 -0.396 -2.340 1.00 0.60 C ATOM 1103 O VAL A 75 -15.077 -1.005 -3.035 1.00 0.78 O ATOM 1104 CB VAL A 75 -14.707 1.800 -3.581 1.00 0.73 C ATOM 1105 CG1 VAL A 75 -14.784 1.308 -5.019 1.00 1.32 C ATOM 1106 CG2 VAL A 75 -16.080 1.818 -2.925 1.00 1.64 C ATOM 0 H VAL A 75 -12.310 -0.143 -3.833 1.00 0.41 H new ATOM 0 HA VAL A 75 -13.516 1.535 -1.843 1.00 0.54 H new ATOM 0 HB VAL A 75 -14.342 2.827 -3.606 1.00 0.73 H new ATOM 0 HG11 VAL A 75 -15.500 1.915 -5.573 1.00 1.32 H new ATOM 0 HG12 VAL A 75 -13.802 1.389 -5.484 1.00 1.32 H new ATOM 0 HG13 VAL A 75 -15.106 0.267 -5.031 1.00 1.32 H new ATOM 0 HG21 VAL A 75 -16.765 2.413 -3.530 1.00 1.64 H new ATOM 0 HG22 VAL A 75 -16.458 0.799 -2.845 1.00 1.64 H new ATOM 0 HG23 VAL A 75 -16.002 2.255 -1.930 1.00 1.64 H new