USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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 29 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 62 HIS : no HE2:sc= -0.902 K(o=-0.9,f=-4.9!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.463 F(o=-1.7!,f=-0.46) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= 1.16 (180deg=0.808) USER MOD Single : A 33 HIS : no HE2:sc= 0.594 K(o=0.59,f=-1.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.18 K(o=1.2,f=-0.015) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -0.101 K(o=-0.1,f=-0.64) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0958 USER MOD Single : A 64 GLN : amide:sc= -1.82 X(o=-1.8,f=-2.1) USER MOD Single : A 70 SER OG : rot -18:sc= 0.204 USER MOD Single : A 71 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.795 K(o=-0.8,f=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.14) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= 0.858 (180deg=-0.495!) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.902 -7.577 -5.239 1.00 0.00 N ATOM 12 CA LEU A 2 9.829 -6.989 -6.046 1.00 0.00 C ATOM 13 C LEU A 2 9.071 -8.063 -6.832 1.00 0.00 C ATOM 14 O LEU A 2 9.581 -8.579 -7.829 1.00 0.00 O ATOM 15 CB LEU A 2 10.404 -5.972 -7.040 1.00 0.00 C ATOM 16 CG LEU A 2 11.039 -4.718 -6.431 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.732 -3.979 -7.578 1.00 0.00 C ATOM 18 CD2 LEU A 2 9.989 -3.844 -5.731 1.00 0.00 C ATOM 0 HA LEU A 2 9.141 -6.495 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.155 -6.475 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.605 -5.660 -7.712 1.00 0.00 H new ATOM 0 HG LEU A 2 11.761 -4.979 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.203 -3.073 -7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.492 -4.624 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.996 -3.713 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.472 -2.962 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.234 -3.534 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.515 -4.414 -4.932 1.00 0.00 H new ATOM 30 N THR A 3 7.862 -8.395 -6.389 1.00 0.00 N ATOM 31 CA THR A 3 6.978 -9.396 -6.983 1.00 0.00 C ATOM 32 C THR A 3 5.562 -8.801 -7.021 1.00 0.00 C ATOM 33 O THR A 3 5.294 -7.855 -6.279 1.00 0.00 O ATOM 34 CB THR A 3 7.137 -10.699 -6.173 1.00 0.00 C ATOM 35 OG1 THR A 3 8.505 -11.057 -6.103 1.00 0.00 O ATOM 36 CG2 THR A 3 6.401 -11.905 -6.750 1.00 0.00 C ATOM 0 H THR A 3 7.451 -7.953 -5.567 1.00 0.00 H new ATOM 0 HA THR A 3 7.221 -9.654 -8.014 1.00 0.00 H new ATOM 0 HB THR A 3 6.703 -10.473 -5.199 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.601 -11.884 -5.586 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.571 -12.774 -6.114 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.333 -11.692 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.773 -12.112 -7.754 1.00 0.00 H new ATOM 44 N THR A 4 4.663 -9.319 -7.860 1.00 0.00 N ATOM 45 CA THR A 4 3.295 -8.816 -7.990 1.00 0.00 C ATOM 46 C THR A 4 2.314 -9.868 -7.466 1.00 0.00 C ATOM 47 O THR A 4 2.494 -11.057 -7.765 1.00 0.00 O ATOM 48 CB THR A 4 3.024 -8.455 -9.464 1.00 0.00 C ATOM 49 OG1 THR A 4 4.101 -7.709 -10.013 1.00 0.00 O ATOM 50 CG2 THR A 4 1.752 -7.621 -9.635 1.00 0.00 C ATOM 0 H THR A 4 4.867 -10.107 -8.474 1.00 0.00 H new ATOM 0 HA THR A 4 3.161 -7.913 -7.395 1.00 0.00 H new ATOM 0 HB THR A 4 2.907 -9.405 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.906 -7.494 -10.949 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.606 -7.393 -10.691 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.895 -8.183 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.848 -6.692 -9.073 1.00 0.00 H new ATOM 58 N ILE A 5 1.304 -9.453 -6.689 1.00 0.00 N ATOM 59 CA ILE A 5 0.292 -10.354 -6.128 1.00 0.00 C ATOM 60 C ILE A 5 -1.128 -9.854 -6.420 1.00 0.00 C ATOM 61 O ILE A 5 -1.342 -8.666 -6.674 1.00 0.00 O ATOM 62 CB ILE A 5 0.544 -10.694 -4.637 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.018 -9.662 -3.616 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.019 -11.055 -4.366 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.567 -8.242 -3.769 1.00 0.00 C ATOM 0 H ILE A 5 1.167 -8.476 -6.431 1.00 0.00 H new ATOM 0 HA ILE A 5 0.389 -11.309 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.069 -11.579 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.069 -9.623 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.254 -10.017 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.149 -11.286 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.297 -11.923 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.655 -10.211 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.133 -7.600 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.651 -8.257 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.308 -7.856 -4.755 1.00 0.00 H new ATOM 77 N SER A 6 -2.091 -10.777 -6.377 1.00 0.00 N ATOM 78 CA SER A 6 -3.510 -10.546 -6.626 1.00 0.00 C ATOM 79 C SER A 6 -4.125 -9.526 -5.658 1.00 0.00 C ATOM 80 O SER A 6 -3.614 -9.346 -4.551 1.00 0.00 O ATOM 81 CB SER A 6 -4.222 -11.903 -6.527 1.00 0.00 C ATOM 82 OG SER A 6 -3.597 -12.825 -7.401 1.00 0.00 O ATOM 0 H SER A 6 -1.890 -11.752 -6.157 1.00 0.00 H new ATOM 0 HA SER A 6 -3.634 -10.113 -7.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.184 -12.273 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.275 -11.794 -6.787 1.00 0.00 H new ATOM 0 HG SER A 6 -4.048 -13.693 -7.339 1.00 0.00 H new ATOM 88 N PRO A 7 -5.275 -8.921 -6.013 1.00 0.00 N ATOM 89 CA PRO A 7 -5.939 -7.924 -5.177 1.00 0.00 C ATOM 90 C PRO A 7 -6.499 -8.452 -3.848 1.00 0.00 C ATOM 91 O PRO A 7 -6.989 -7.654 -3.048 1.00 0.00 O ATOM 92 CB PRO A 7 -7.028 -7.310 -6.062 1.00 0.00 C ATOM 93 CG PRO A 7 -7.345 -8.402 -7.077 1.00 0.00 C ATOM 94 CD PRO A 7 -5.984 -9.058 -7.284 1.00 0.00 C ATOM 0 HA PRO A 7 -5.208 -7.188 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.909 -7.040 -5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.678 -6.401 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.083 -9.108 -6.697 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.744 -7.992 -8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.094 -10.107 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.435 -8.573 -8.091 1.00 0.00 H new ATOM 102 N HIS A 8 -6.414 -9.753 -3.588 1.00 0.00 N ATOM 103 CA HIS A 8 -6.903 -10.410 -2.383 1.00 0.00 C ATOM 104 C HIS A 8 -5.763 -11.092 -1.615 1.00 0.00 C ATOM 105 O HIS A 8 -5.795 -11.150 -0.389 1.00 0.00 O ATOM 106 CB HIS A 8 -7.959 -11.400 -2.857 1.00 0.00 C ATOM 107 CG HIS A 8 -8.633 -12.183 -1.770 1.00 0.00 C ATOM 108 ND1 HIS A 8 -8.317 -13.471 -1.416 1.00 0.00 N ATOM 109 CD2 HIS A 8 -9.751 -11.813 -1.078 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.225 -13.878 -0.519 1.00 0.00 C ATOM 111 NE2 HIS A 8 -10.125 -12.901 -0.277 1.00 0.00 N ATOM 0 H HIS A 8 -5.983 -10.406 -4.242 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.330 -9.698 -1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.720 -10.855 -3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.493 -12.099 -3.551 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.254 -10.859 -1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.236 -14.853 -0.054 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.919 -12.946 0.362 1.00 0.00 H new ATOM 119 N ASP A 9 -4.727 -11.543 -2.329 1.00 0.00 N ATOM 120 CA ASP A 9 -3.550 -12.215 -1.769 1.00 0.00 C ATOM 121 C ASP A 9 -2.865 -11.330 -0.735 1.00 0.00 C ATOM 122 O ASP A 9 -2.414 -11.812 0.305 1.00 0.00 O ATOM 123 CB ASP A 9 -2.534 -12.541 -2.879 1.00 0.00 C ATOM 124 CG ASP A 9 -2.768 -13.914 -3.494 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.814 -14.725 -3.493 1.00 0.00 O ATOM 126 OD2 ASP A 9 -3.904 -14.159 -3.955 1.00 0.00 O ATOM 0 H ASP A 9 -4.683 -11.448 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.892 -13.136 -1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.595 -11.781 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.525 -12.497 -2.469 1.00 0.00 H new ATOM 131 N ALA A 10 -2.793 -10.025 -1.019 1.00 0.00 N ATOM 132 CA ALA A 10 -2.174 -9.055 -0.135 1.00 0.00 C ATOM 133 C ALA A 10 -2.773 -9.127 1.271 1.00 0.00 C ATOM 134 O ALA A 10 -2.021 -9.037 2.241 1.00 0.00 O ATOM 135 CB ALA A 10 -2.346 -7.644 -0.711 1.00 0.00 C ATOM 0 H ALA A 10 -3.168 -9.618 -1.876 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.112 -9.288 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.880 -6.919 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.873 -7.591 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.408 -7.417 -0.808 1.00 0.00 H new ATOM 141 N GLN A 11 -4.098 -9.291 1.383 1.00 0.00 N ATOM 142 CA GLN A 11 -4.831 -9.354 2.638 1.00 0.00 C ATOM 143 C GLN A 11 -4.241 -10.412 3.567 1.00 0.00 C ATOM 144 O GLN A 11 -3.927 -10.115 4.724 1.00 0.00 O ATOM 145 CB GLN A 11 -6.332 -9.608 2.372 1.00 0.00 C ATOM 146 CG GLN A 11 -7.203 -8.879 3.415 1.00 0.00 C ATOM 147 CD GLN A 11 -8.307 -9.647 4.136 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.496 -10.919 3.864 1.00 0.00 O flip ATOM 149 NE2 GLN A 11 -8.973 -9.094 5.005 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.704 -9.386 0.568 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.735 -8.392 3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.592 -9.265 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.536 -10.678 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.534 -8.476 4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.668 -8.029 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.822 -8.107 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.678 -9.621 5.521 1.00 0.00 H new ATOM 158 N GLU A 12 -4.113 -11.634 3.054 1.00 0.00 N ATOM 159 CA GLU A 12 -3.570 -12.779 3.762 1.00 0.00 C ATOM 160 C GLU A 12 -2.118 -12.527 4.110 1.00 0.00 C ATOM 161 O GLU A 12 -1.689 -12.927 5.183 1.00 0.00 O ATOM 162 CB GLU A 12 -3.758 -14.047 2.913 1.00 0.00 C ATOM 163 CG GLU A 12 -3.762 -15.313 3.780 1.00 0.00 C ATOM 164 CD GLU A 12 -4.223 -16.583 3.047 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.846 -16.817 1.881 1.00 0.00 O ATOM 166 OE2 GLU A 12 -4.953 -17.405 3.654 1.00 0.00 O ATOM 0 H GLU A 12 -4.396 -11.856 2.100 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.105 -12.930 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.696 -13.980 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.958 -14.113 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.756 -15.477 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.412 -15.148 4.639 1.00 0.00 H new ATOM 173 N LEU A 13 -1.351 -11.849 3.258 1.00 0.00 N ATOM 174 CA LEU A 13 0.050 -11.612 3.572 1.00 0.00 C ATOM 175 C LEU A 13 0.121 -10.681 4.772 1.00 0.00 C ATOM 176 O LEU A 13 0.871 -10.958 5.705 1.00 0.00 O ATOM 177 CB LEU A 13 0.826 -11.137 2.338 1.00 0.00 C ATOM 178 CG LEU A 13 0.905 -12.238 1.255 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.494 -11.663 -0.026 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.768 -13.435 1.674 1.00 0.00 C ATOM 0 H LEU A 13 -1.668 -11.464 2.368 1.00 0.00 H new ATOM 0 HA LEU A 13 0.550 -12.538 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.344 -10.252 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.833 -10.843 2.632 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.116 -12.589 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.547 -12.444 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.862 -10.851 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.496 -11.282 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.783 -14.172 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.785 -13.098 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.351 -13.887 2.574 1.00 0.00 H new ATOM 192 N ILE A 14 -0.684 -9.616 4.792 1.00 0.00 N ATOM 193 CA ILE A 14 -0.720 -8.669 5.902 1.00 0.00 C ATOM 194 C ILE A 14 -1.127 -9.432 7.168 1.00 0.00 C ATOM 195 O ILE A 14 -0.495 -9.246 8.206 1.00 0.00 O ATOM 196 CB ILE A 14 -1.632 -7.467 5.573 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.151 -6.695 4.321 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.665 -6.470 6.737 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.333 -6.216 3.475 1.00 0.00 C ATOM 0 H ILE A 14 -1.330 -9.388 4.036 1.00 0.00 H new ATOM 0 HA ILE A 14 0.264 -8.233 6.077 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.622 -7.884 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.550 -5.839 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.507 -7.337 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.314 -5.633 6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.047 -6.965 7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.657 -6.102 6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.962 -5.677 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.919 -7.075 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.962 -5.554 4.070 1.00 0.00 H new ATOM 211 N ALA A 15 -2.126 -10.322 7.085 1.00 0.00 N ATOM 212 CA ALA A 15 -2.570 -11.110 8.233 1.00 0.00 C ATOM 213 C ALA A 15 -1.419 -11.958 8.777 1.00 0.00 C ATOM 214 O ALA A 15 -1.182 -11.976 9.987 1.00 0.00 O ATOM 215 CB ALA A 15 -3.766 -11.987 7.862 1.00 0.00 C ATOM 0 H ALA A 15 -2.642 -10.512 6.226 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.889 -10.423 9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.078 -12.564 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.591 -11.356 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.483 -12.667 7.059 1.00 0.00 H new ATOM 221 N ARG A 16 -0.670 -12.629 7.893 1.00 0.00 N ATOM 222 CA ARG A 16 0.468 -13.460 8.289 1.00 0.00 C ATOM 223 C ARG A 16 1.551 -12.605 8.952 1.00 0.00 C ATOM 224 O ARG A 16 2.264 -13.104 9.825 1.00 0.00 O ATOM 225 CB ARG A 16 1.040 -14.197 7.074 1.00 0.00 C ATOM 226 CG ARG A 16 0.058 -15.174 6.408 1.00 0.00 C ATOM 227 CD ARG A 16 0.607 -15.521 5.022 1.00 0.00 C ATOM 228 NE ARG A 16 -0.230 -16.518 4.358 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.136 -16.974 3.110 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.902 -16.673 2.335 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.110 -17.740 2.655 1.00 0.00 N ATOM 0 H ARG A 16 -0.837 -12.610 6.887 1.00 0.00 H new ATOM 0 HA ARG A 16 0.121 -14.199 9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.360 -13.462 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.929 -14.747 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.052 -16.075 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.931 -14.723 6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.657 -14.619 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.625 -15.900 5.115 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.982 -16.915 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.651 -16.080 2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.950 -17.035 1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.904 -17.966 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.069 -18.106 1.704 1.00 0.00 H new ATOM 245 N GLY A 17 1.679 -11.328 8.573 1.00 0.00 N ATOM 246 CA GLY A 17 2.662 -10.416 9.150 1.00 0.00 C ATOM 247 C GLY A 17 3.167 -9.315 8.216 1.00 0.00 C ATOM 248 O GLY A 17 4.009 -8.522 8.654 1.00 0.00 O ATOM 0 H GLY A 17 1.098 -10.900 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.224 -9.948 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.517 -11.000 9.491 1.00 0.00 H new ATOM 252 N ALA A 18 2.745 -9.267 6.947 1.00 0.00 N ATOM 253 CA ALA A 18 3.170 -8.248 5.989 1.00 0.00 C ATOM 254 C ALA A 18 2.567 -6.874 6.341 1.00 0.00 C ATOM 255 O ALA A 18 2.010 -6.681 7.422 1.00 0.00 O ATOM 256 CB ALA A 18 2.832 -8.680 4.548 1.00 0.00 C ATOM 0 H ALA A 18 2.091 -9.944 6.555 1.00 0.00 H new ATOM 0 HA ALA A 18 4.253 -8.145 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.157 -7.907 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.344 -9.614 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.756 -8.824 4.454 1.00 0.00 H new ATOM 262 N LYS A 19 2.677 -5.880 5.452 1.00 0.00 N ATOM 263 CA LYS A 19 2.127 -4.543 5.673 1.00 0.00 C ATOM 264 C LYS A 19 1.705 -3.918 4.355 1.00 0.00 C ATOM 265 O LYS A 19 2.105 -4.399 3.299 1.00 0.00 O ATOM 266 CB LYS A 19 3.160 -3.670 6.404 1.00 0.00 C ATOM 267 CG LYS A 19 2.687 -3.295 7.812 1.00 0.00 C ATOM 268 CD LYS A 19 1.531 -2.284 7.771 1.00 0.00 C ATOM 269 CE LYS A 19 1.016 -2.040 9.185 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.360 -1.504 9.184 1.00 0.00 N ATOM 0 H LYS A 19 3.153 -5.984 4.556 1.00 0.00 H new ATOM 0 HA LYS A 19 1.239 -4.618 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.108 -4.204 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.344 -2.763 5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.367 -4.193 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.519 -2.874 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.870 -1.347 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.726 -2.661 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.042 -2.974 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.678 -1.341 9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.819 -1.725 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.331 -0.473 9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.900 -1.936 8.407 1.00 0.00 H new ATOM 284 N LEU A 20 0.952 -2.819 4.419 1.00 0.00 N ATOM 285 CA LEU A 20 0.448 -2.092 3.264 1.00 0.00 C ATOM 286 C LEU A 20 0.794 -0.622 3.434 1.00 0.00 C ATOM 287 O LEU A 20 0.373 -0.004 4.417 1.00 0.00 O ATOM 288 CB LEU A 20 -1.074 -2.288 3.172 1.00 0.00 C ATOM 289 CG LEU A 20 -1.673 -2.151 1.759 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.055 -3.113 0.736 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.177 -2.430 1.849 1.00 0.00 C ATOM 0 H LEU A 20 0.670 -2.401 5.306 1.00 0.00 H new ATOM 0 HA LEU A 20 0.900 -2.462 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.320 -3.277 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.557 -1.561 3.825 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.459 -1.140 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.524 -2.961 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.015 -2.921 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.216 -4.141 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.624 -2.339 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.338 -3.439 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.641 -1.711 2.524 1.00 0.00 H new ATOM 303 N ILE A 21 1.591 -0.072 2.523 1.00 0.00 N ATOM 304 CA ILE A 21 2.014 1.321 2.550 1.00 0.00 C ATOM 305 C ILE A 21 1.304 2.024 1.392 1.00 0.00 C ATOM 306 O ILE A 21 1.274 1.530 0.258 1.00 0.00 O ATOM 307 CB ILE A 21 3.562 1.407 2.542 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.170 1.341 3.964 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.061 2.706 1.886 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.734 0.145 4.821 1.00 0.00 C ATOM 0 H ILE A 21 1.967 -0.593 1.731 1.00 0.00 H new ATOM 0 HA ILE A 21 1.728 1.839 3.466 1.00 0.00 H new ATOM 0 HB ILE A 21 3.888 0.542 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.256 1.323 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.909 2.258 4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.151 2.726 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.712 2.750 0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.675 3.564 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.220 0.199 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.652 0.167 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.020 -0.782 4.324 1.00 0.00 H new ATOM 322 N ASP A 22 0.678 3.163 1.703 1.00 0.00 N ATOM 323 CA ASP A 22 -0.041 3.966 0.728 1.00 0.00 C ATOM 324 C ASP A 22 0.846 5.074 0.200 1.00 0.00 C ATOM 325 O ASP A 22 1.181 5.989 0.952 1.00 0.00 O ATOM 326 CB ASP A 22 -1.315 4.580 1.294 1.00 0.00 C ATOM 327 CG ASP A 22 -2.079 5.091 0.082 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.566 4.205 -0.653 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.060 6.304 -0.221 1.00 0.00 O ATOM 0 H ASP A 22 0.660 3.550 2.646 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.325 3.289 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.898 3.842 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.088 5.390 1.988 1.00 0.00 H new ATOM 334 N ILE A 23 1.195 4.995 -1.085 1.00 0.00 N ATOM 335 CA ILE A 23 2.059 5.961 -1.748 1.00 0.00 C ATOM 336 C ILE A 23 1.287 6.955 -2.641 1.00 0.00 C ATOM 337 O ILE A 23 1.897 7.568 -3.527 1.00 0.00 O ATOM 338 CB ILE A 23 3.220 5.226 -2.463 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.763 4.429 -3.700 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.982 4.297 -1.496 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.914 3.770 -4.468 1.00 0.00 C ATOM 0 H ILE A 23 0.878 4.245 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 23 2.506 6.602 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 23 3.892 6.011 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.060 3.658 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.224 5.096 -4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.789 3.798 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.398 4.885 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.297 3.550 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.516 3.227 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.607 4.537 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.439 3.076 -3.811 1.00 0.00 H new ATOM 353 N ARG A 24 -0.039 7.115 -2.497 1.00 0.00 N ATOM 354 CA ARG A 24 -0.816 8.029 -3.326 1.00 0.00 C ATOM 355 C ARG A 24 -0.615 9.481 -2.907 1.00 0.00 C ATOM 356 O ARG A 24 0.082 10.203 -3.621 1.00 0.00 O ATOM 357 CB ARG A 24 -2.286 7.641 -3.245 1.00 0.00 C ATOM 358 CG ARG A 24 -2.615 6.248 -3.802 1.00 0.00 C ATOM 359 CD ARG A 24 -3.900 5.692 -3.181 1.00 0.00 C ATOM 360 NE ARG A 24 -4.960 6.686 -3.169 1.00 0.00 N ATOM 361 CZ ARG A 24 -6.131 6.598 -2.534 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.480 5.477 -1.907 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.959 7.637 -2.544 1.00 0.00 N ATOM 0 H ARG A 24 -0.593 6.613 -1.803 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.470 7.948 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.602 7.684 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.873 8.382 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.726 6.303 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.787 5.568 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.227 4.817 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.699 5.361 -2.162 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.792 7.540 -3.701 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.850 4.675 -1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.377 5.420 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.698 8.493 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.856 7.579 -2.062 1.00 0.00 H new ATOM 377 N ASP A 25 -1.244 9.943 -1.828 1.00 0.00 N ATOM 378 CA ASP A 25 -1.186 11.299 -1.278 1.00 0.00 C ATOM 379 C ASP A 25 -1.652 11.205 0.176 1.00 0.00 C ATOM 380 O ASP A 25 -2.348 10.253 0.531 1.00 0.00 O ATOM 381 CB ASP A 25 -2.144 12.245 -2.026 1.00 0.00 C ATOM 382 CG ASP A 25 -1.598 12.753 -3.359 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.446 13.240 -3.439 1.00 0.00 O ATOM 384 OD2 ASP A 25 -2.299 12.624 -4.386 1.00 0.00 O ATOM 0 H ASP A 25 -1.851 9.338 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.173 11.690 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.086 11.726 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.367 13.099 -1.387 1.00 0.00 H new ATOM 389 N ALA A 26 -1.297 12.175 1.021 1.00 0.00 N ATOM 390 CA ALA A 26 -1.708 12.159 2.425 1.00 0.00 C ATOM 391 C ALA A 26 -3.162 12.587 2.595 1.00 0.00 C ATOM 392 O ALA A 26 -3.923 11.969 3.340 1.00 0.00 O ATOM 393 CB ALA A 26 -0.813 13.095 3.240 1.00 0.00 C ATOM 0 H ALA A 26 -0.727 12.979 0.758 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.609 11.134 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.125 13.078 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.223 12.765 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.899 14.110 2.852 1.00 0.00 H new ATOM 399 N ASP A 27 -3.543 13.632 1.868 1.00 0.00 N ATOM 400 CA ASP A 27 -4.873 14.220 1.910 1.00 0.00 C ATOM 401 C ASP A 27 -5.934 13.259 1.378 1.00 0.00 C ATOM 402 O ASP A 27 -7.061 13.266 1.873 1.00 0.00 O ATOM 403 CB ASP A 27 -4.915 15.511 1.075 1.00 0.00 C ATOM 404 CG ASP A 27 -3.981 16.644 1.512 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.057 17.719 0.880 1.00 0.00 O ATOM 406 OD2 ASP A 27 -3.114 16.464 2.399 1.00 0.00 O ATOM 0 H ASP A 27 -2.917 14.105 1.216 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.091 14.440 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.680 15.256 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.937 15.890 1.085 1.00 0.00 H new ATOM 411 N GLU A 28 -5.616 12.449 0.362 1.00 0.00 N ATOM 412 CA GLU A 28 -6.590 11.519 -0.202 1.00 0.00 C ATOM 413 C GLU A 28 -6.929 10.375 0.758 1.00 0.00 C ATOM 414 O GLU A 28 -8.088 9.952 0.787 1.00 0.00 O ATOM 415 CB GLU A 28 -6.117 10.943 -1.546 1.00 0.00 C ATOM 416 CG GLU A 28 -6.227 11.934 -2.720 1.00 0.00 C ATOM 417 CD GLU A 28 -6.173 11.266 -4.107 1.00 0.00 C ATOM 418 OE1 GLU A 28 -5.952 11.980 -5.119 1.00 0.00 O ATOM 419 OE2 GLU A 28 -6.424 10.044 -4.234 1.00 0.00 O ATOM 0 H GLU A 28 -4.698 12.421 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.496 12.102 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.080 10.623 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.704 10.054 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.162 12.487 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.418 12.661 -2.646 1.00 0.00 H new ATOM 426 N TYR A 29 -5.963 9.878 1.537 1.00 0.00 N ATOM 427 CA TYR A 29 -6.196 8.783 2.463 1.00 0.00 C ATOM 428 C TYR A 29 -7.069 9.233 3.642 1.00 0.00 C ATOM 429 O TYR A 29 -7.807 8.428 4.199 1.00 0.00 O ATOM 430 CB TYR A 29 -4.834 8.174 2.867 1.00 0.00 C ATOM 431 CG TYR A 29 -4.712 6.662 2.691 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.066 5.874 3.664 1.00 0.00 C ATOM 433 CD2 TYR A 29 -5.228 6.035 1.537 1.00 0.00 C ATOM 434 CE1 TYR A 29 -3.964 4.478 3.500 1.00 0.00 C ATOM 435 CE2 TYR A 29 -5.164 4.641 1.386 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.524 3.853 2.363 1.00 0.00 C ATOM 437 OH TYR A 29 -4.483 2.499 2.239 1.00 0.00 O ATOM 0 H TYR A 29 -5.004 10.227 1.538 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.771 7.989 1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.052 8.655 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.643 8.417 3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.646 6.343 4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.678 6.635 0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.456 3.884 4.246 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.606 4.172 0.520 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.913 2.234 1.399 1.00 0.00 H new ATOM 447 N LEU A 30 -7.072 10.529 3.968 1.00 0.00 N ATOM 448 CA LEU A 30 -7.862 11.106 5.054 1.00 0.00 C ATOM 449 C LEU A 30 -9.354 10.791 4.865 1.00 0.00 C ATOM 450 O LEU A 30 -10.073 10.487 5.818 1.00 0.00 O ATOM 451 CB LEU A 30 -7.591 12.625 5.060 1.00 0.00 C ATOM 452 CG LEU A 30 -7.839 13.354 6.396 1.00 0.00 C ATOM 453 CD1 LEU A 30 -7.166 14.733 6.339 1.00 0.00 C ATOM 454 CD2 LEU A 30 -9.328 13.558 6.698 1.00 0.00 C ATOM 0 H LEU A 30 -6.511 11.221 3.471 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.578 10.677 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.554 12.789 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.215 13.088 4.296 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.423 12.729 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.334 15.259 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.095 14.609 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.590 15.311 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.438 14.076 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.782 14.154 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.824 12.589 6.752 1.00 0.00 H new ATOM 466 N ARG A 31 -9.837 10.864 3.618 1.00 0.00 N ATOM 467 CA ARG A 31 -11.239 10.607 3.302 1.00 0.00 C ATOM 468 C ARG A 31 -11.649 9.150 3.419 1.00 0.00 C ATOM 469 O ARG A 31 -12.501 8.836 4.253 1.00 0.00 O ATOM 470 CB ARG A 31 -11.616 11.134 1.911 1.00 0.00 C ATOM 471 CG ARG A 31 -11.836 12.646 1.951 1.00 0.00 C ATOM 472 CD ARG A 31 -12.782 13.078 0.828 1.00 0.00 C ATOM 473 NE ARG A 31 -13.151 14.491 0.957 1.00 0.00 N ATOM 474 CZ ARG A 31 -14.057 15.139 0.222 1.00 0.00 C ATOM 475 NH1 ARG A 31 -14.820 14.512 -0.663 1.00 0.00 N ATOM 476 NH2 ARG A 31 -14.194 16.442 0.378 1.00 0.00 N ATOM 0 H ARG A 31 -9.266 11.102 2.807 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.792 11.155 4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.826 10.895 1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.522 10.638 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.252 12.934 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.881 13.162 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.304 12.911 -0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.681 12.462 0.849 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.670 15.030 1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.723 13.505 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.503 15.036 -1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.612 16.939 1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.882 16.952 -0.176 1.00 0.00 H new ATOM 490 N GLU A 32 -11.120 8.291 2.555 1.00 0.00 N ATOM 491 CA GLU A 32 -11.428 6.861 2.500 1.00 0.00 C ATOM 492 C GLU A 32 -10.165 6.039 2.256 1.00 0.00 C ATOM 493 O GLU A 32 -9.644 6.015 1.137 1.00 0.00 O ATOM 494 CB GLU A 32 -12.540 6.576 1.468 1.00 0.00 C ATOM 495 CG GLU A 32 -12.348 7.153 0.053 1.00 0.00 C ATOM 496 CD GLU A 32 -13.679 7.389 -0.670 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.266 8.487 -0.522 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.122 6.514 -1.452 1.00 0.00 O ATOM 0 H GLU A 32 -10.442 8.577 1.849 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.817 6.550 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.651 5.495 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.478 6.962 1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.802 8.094 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.735 6.469 -0.535 1.00 0.00 H new ATOM 505 N HIS A 33 -9.701 5.334 3.293 1.00 0.00 N ATOM 506 CA HIS A 33 -8.502 4.499 3.245 1.00 0.00 C ATOM 507 C HIS A 33 -8.753 3.069 3.724 1.00 0.00 C ATOM 508 O HIS A 33 -9.889 2.700 4.021 1.00 0.00 O ATOM 509 CB HIS A 33 -7.392 5.154 4.062 1.00 0.00 C ATOM 510 CG HIS A 33 -7.577 5.158 5.563 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.038 4.245 6.453 1.00 0.00 N ATOM 512 CD2 HIS A 33 -8.251 6.099 6.293 1.00 0.00 C ATOM 513 CE1 HIS A 33 -7.376 4.637 7.693 1.00 0.00 C ATOM 514 NE2 HIS A 33 -8.105 5.764 7.645 1.00 0.00 N ATOM 0 H HIS A 33 -10.158 5.329 4.205 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.198 4.422 2.201 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.455 4.646 3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.285 6.186 3.728 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.484 3.423 6.211 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.795 6.944 5.899 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.100 4.119 8.600 1.00 0.00 H new ATOM 522 N ILE A 34 -7.705 2.242 3.785 1.00 0.00 N ATOM 523 CA ILE A 34 -7.769 0.849 4.225 1.00 0.00 C ATOM 524 C ILE A 34 -7.317 0.785 5.691 1.00 0.00 C ATOM 525 O ILE A 34 -6.344 1.458 6.038 1.00 0.00 O ATOM 526 CB ILE A 34 -6.882 -0.016 3.300 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.504 -0.017 1.890 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.733 -1.466 3.804 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.530 -0.510 0.830 1.00 0.00 C ATOM 0 H ILE A 34 -6.764 2.533 3.522 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.784 0.458 4.163 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.882 0.417 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.392 -0.650 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.831 0.992 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.100 -2.027 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.278 -1.462 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.715 -1.935 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.015 -0.492 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.654 0.138 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.223 -1.529 1.064 1.00 0.00 H new ATOM 541 N PRO A 35 -7.957 -0.042 6.540 1.00 0.00 N ATOM 542 CA PRO A 35 -7.592 -0.179 7.950 1.00 0.00 C ATOM 543 C PRO A 35 -6.262 -0.916 8.160 1.00 0.00 C ATOM 544 O PRO A 35 -5.532 -0.607 9.095 1.00 0.00 O ATOM 545 CB PRO A 35 -8.734 -0.978 8.586 1.00 0.00 C ATOM 546 CG PRO A 35 -9.318 -1.784 7.427 1.00 0.00 C ATOM 547 CD PRO A 35 -9.117 -0.867 6.230 1.00 0.00 C ATOM 0 HA PRO A 35 -7.453 0.806 8.397 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.370 -1.629 9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.481 -0.320 9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.801 -2.735 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.372 -2.013 7.586 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.952 -1.445 5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.999 -0.250 6.060 1.00 0.00 H new ATOM 555 N GLU A 36 -5.944 -1.874 7.289 1.00 0.00 N ATOM 556 CA GLU A 36 -4.729 -2.690 7.334 1.00 0.00 C ATOM 557 C GLU A 36 -3.461 -1.875 7.040 1.00 0.00 C ATOM 558 O GLU A 36 -2.343 -2.279 7.384 1.00 0.00 O ATOM 559 CB GLU A 36 -4.786 -3.812 6.288 1.00 0.00 C ATOM 560 CG GLU A 36 -6.026 -4.696 6.384 1.00 0.00 C ATOM 561 CD GLU A 36 -5.992 -5.738 7.499 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.448 -6.884 7.265 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.635 -5.400 8.647 1.00 0.00 O ATOM 0 H GLU A 36 -6.548 -2.112 6.503 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.683 -3.090 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.746 -3.368 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.899 -4.437 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.898 -4.058 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.162 -5.209 5.432 1.00 0.00 H new ATOM 570 N ALA A 37 -3.626 -0.780 6.298 1.00 0.00 N ATOM 571 CA ALA A 37 -2.565 0.117 5.892 1.00 0.00 C ATOM 572 C ALA A 37 -2.390 1.244 6.896 1.00 0.00 C ATOM 573 O ALA A 37 -3.155 1.383 7.849 1.00 0.00 O ATOM 574 CB ALA A 37 -2.938 0.739 4.539 1.00 0.00 C ATOM 0 H ALA A 37 -4.541 -0.490 5.954 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.637 -0.451 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.147 1.418 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.060 -0.050 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.872 1.292 4.638 1.00 0.00 H new ATOM 580 N ASP A 38 -1.338 2.027 6.679 1.00 0.00 N ATOM 581 CA ASP A 38 -1.058 3.197 7.510 1.00 0.00 C ATOM 582 C ASP A 38 -1.200 4.391 6.575 1.00 0.00 C ATOM 583 O ASP A 38 -2.327 4.749 6.254 1.00 0.00 O ATOM 584 CB ASP A 38 0.281 3.131 8.249 1.00 0.00 C ATOM 585 CG ASP A 38 0.464 4.334 9.195 1.00 0.00 C ATOM 586 OD1 ASP A 38 1.504 4.421 9.884 1.00 0.00 O ATOM 587 OD2 ASP A 38 -0.435 5.193 9.327 1.00 0.00 O ATOM 0 H ASP A 38 -0.661 1.873 5.931 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.759 3.268 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.337 2.205 8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.096 3.108 7.526 1.00 0.00 H new ATOM 592 N LEU A 39 -0.091 4.935 6.072 1.00 0.00 N ATOM 593 CA LEU A 39 0.025 6.066 5.157 1.00 0.00 C ATOM 594 C LEU A 39 1.516 6.378 5.052 1.00 0.00 C ATOM 595 O LEU A 39 2.207 6.346 6.070 1.00 0.00 O ATOM 596 CB LEU A 39 -0.717 7.311 5.690 1.00 0.00 C ATOM 597 CG LEU A 39 -0.523 8.573 4.830 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.957 8.347 3.374 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.321 9.727 5.442 1.00 0.00 C ATOM 0 H LEU A 39 0.826 4.562 6.317 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.419 5.815 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.782 7.087 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.375 7.519 6.704 1.00 0.00 H new ATOM 0 HG LEU A 39 0.539 8.816 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.803 9.262 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.364 7.543 2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.012 8.075 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.187 10.623 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.378 9.463 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.967 9.917 6.455 1.00 0.00 H new ATOM 611 N ALA A 40 2.028 6.626 3.846 1.00 0.00 N ATOM 612 CA ALA A 40 3.430 6.960 3.602 1.00 0.00 C ATOM 613 C ALA A 40 3.565 7.379 2.131 1.00 0.00 C ATOM 614 O ALA A 40 4.035 6.585 1.313 1.00 0.00 O ATOM 615 CB ALA A 40 4.359 5.796 3.985 1.00 0.00 C ATOM 0 H ALA A 40 1.467 6.600 2.994 1.00 0.00 H new ATOM 0 HA ALA A 40 3.742 7.791 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.394 6.078 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.238 5.567 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.105 4.917 3.392 1.00 0.00 H new ATOM 621 N PRO A 41 3.142 8.606 1.773 1.00 0.00 N ATOM 622 CA PRO A 41 3.214 9.080 0.404 1.00 0.00 C ATOM 623 C PRO A 41 4.664 9.118 -0.073 1.00 0.00 C ATOM 624 O PRO A 41 5.594 9.330 0.708 1.00 0.00 O ATOM 625 CB PRO A 41 2.522 10.445 0.379 1.00 0.00 C ATOM 626 CG PRO A 41 2.575 10.915 1.828 1.00 0.00 C ATOM 627 CD PRO A 41 2.582 9.624 2.643 1.00 0.00 C ATOM 0 HA PRO A 41 2.707 8.412 -0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.036 11.140 -0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.495 10.365 0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.467 11.512 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.715 11.537 2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.180 9.737 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.574 9.356 2.959 1.00 0.00 H new ATOM 635 N LEU A 42 4.857 8.957 -1.383 1.00 0.00 N ATOM 636 CA LEU A 42 6.172 8.969 -2.014 1.00 0.00 C ATOM 637 C LEU A 42 6.897 10.261 -1.671 1.00 0.00 C ATOM 638 O LEU A 42 8.105 10.249 -1.488 1.00 0.00 O ATOM 639 CB LEU A 42 6.060 8.861 -3.541 1.00 0.00 C ATOM 640 CG LEU A 42 7.100 7.971 -4.263 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.446 7.759 -3.554 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.491 6.599 -4.548 1.00 0.00 C ATOM 0 H LEU A 42 4.092 8.813 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 42 6.727 8.109 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.066 8.483 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.128 9.866 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 42 7.337 8.533 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.082 7.118 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.935 8.722 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.277 7.287 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.225 5.974 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.201 6.128 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.612 6.716 -5.182 1.00 0.00 H new ATOM 654 N SER A 43 6.158 11.366 -1.547 1.00 0.00 N ATOM 655 CA SER A 43 6.721 12.658 -1.211 1.00 0.00 C ATOM 656 C SER A 43 7.566 12.559 0.068 1.00 0.00 C ATOM 657 O SER A 43 8.619 13.188 0.149 1.00 0.00 O ATOM 658 CB SER A 43 5.570 13.666 -1.062 1.00 0.00 C ATOM 659 OG SER A 43 6.049 14.990 -1.166 1.00 0.00 O ATOM 0 H SER A 43 5.147 11.380 -1.679 1.00 0.00 H new ATOM 0 HA SER A 43 7.388 12.999 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.819 13.484 -1.831 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.080 13.526 -0.099 1.00 0.00 H new ATOM 0 HG SER A 43 5.302 15.617 -1.070 1.00 0.00 H new ATOM 665 N VAL A 44 7.101 11.804 1.065 1.00 0.00 N ATOM 666 CA VAL A 44 7.783 11.621 2.349 1.00 0.00 C ATOM 667 C VAL A 44 8.964 10.668 2.179 1.00 0.00 C ATOM 668 O VAL A 44 10.046 10.905 2.713 1.00 0.00 O ATOM 669 CB VAL A 44 6.755 11.112 3.387 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.361 10.641 4.717 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.752 12.234 3.677 1.00 0.00 C ATOM 0 H VAL A 44 6.221 11.292 1.002 1.00 0.00 H new ATOM 0 HA VAL A 44 8.190 12.566 2.710 1.00 0.00 H new ATOM 0 HB VAL A 44 6.285 10.236 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.565 10.303 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.052 9.819 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.897 11.467 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.021 11.888 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.280 13.101 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.240 12.512 2.755 1.00 0.00 H new ATOM 681 N LEU A 45 8.771 9.598 1.414 1.00 0.00 N ATOM 682 CA LEU A 45 9.784 8.585 1.147 1.00 0.00 C ATOM 683 C LEU A 45 10.980 9.188 0.420 1.00 0.00 C ATOM 684 O LEU A 45 12.123 8.943 0.795 1.00 0.00 O ATOM 685 CB LEU A 45 9.134 7.457 0.344 1.00 0.00 C ATOM 686 CG LEU A 45 8.467 6.373 1.217 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.517 5.347 1.647 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.722 6.866 2.463 1.00 0.00 C ATOM 0 H LEU A 45 7.882 9.407 0.951 1.00 0.00 H new ATOM 0 HA LEU A 45 10.168 8.181 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.385 7.884 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.891 6.988 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 45 7.698 5.944 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.046 4.581 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.955 4.883 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.299 5.845 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.297 6.014 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.417 7.392 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.922 7.543 2.164 1.00 0.00 H new ATOM 700 N GLU A 46 10.723 9.998 -0.594 1.00 0.00 N ATOM 701 CA GLU A 46 11.755 10.668 -1.369 1.00 0.00 C ATOM 702 C GLU A 46 12.551 11.641 -0.479 1.00 0.00 C ATOM 703 O GLU A 46 13.730 11.886 -0.731 1.00 0.00 O ATOM 704 CB GLU A 46 11.120 11.393 -2.562 1.00 0.00 C ATOM 705 CG GLU A 46 10.864 10.406 -3.721 1.00 0.00 C ATOM 706 CD GLU A 46 11.821 10.486 -4.913 1.00 0.00 C ATOM 707 OE1 GLU A 46 11.536 9.843 -5.950 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.902 11.117 -4.853 1.00 0.00 O ATOM 0 H GLU A 46 9.776 10.212 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 46 12.455 9.926 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.181 11.855 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.776 12.196 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.902 9.393 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.850 10.566 -4.087 1.00 0.00 H new ATOM 715 N GLN A 47 11.919 12.193 0.565 1.00 0.00 N ATOM 716 CA GLN A 47 12.519 13.122 1.511 1.00 0.00 C ATOM 717 C GLN A 47 13.166 12.360 2.679 1.00 0.00 C ATOM 718 O GLN A 47 14.356 12.050 2.626 1.00 0.00 O ATOM 719 CB GLN A 47 11.472 14.153 1.988 1.00 0.00 C ATOM 720 CG GLN A 47 11.138 15.195 0.910 1.00 0.00 C ATOM 721 CD GLN A 47 10.020 16.133 1.367 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.258 17.182 1.964 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.775 15.769 1.129 1.00 0.00 N ATOM 0 H GLN A 47 10.941 11.993 0.775 1.00 0.00 H new ATOM 0 HA GLN A 47 13.315 13.677 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.560 13.632 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.846 14.661 2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.030 15.777 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.838 14.688 -0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.584 14.898 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.003 16.358 1.440 1.00 0.00 H new ATOM 732 N SER A 48 12.415 12.077 3.745 1.00 0.00 N ATOM 733 CA SER A 48 12.884 11.393 4.948 1.00 0.00 C ATOM 734 C SER A 48 13.070 9.885 4.797 1.00 0.00 C ATOM 735 O SER A 48 13.908 9.306 5.498 1.00 0.00 O ATOM 736 CB SER A 48 11.853 11.637 6.056 1.00 0.00 C ATOM 737 OG SER A 48 12.331 11.242 7.329 1.00 0.00 O ATOM 0 H SER A 48 11.428 12.328 3.794 1.00 0.00 H new ATOM 0 HA SER A 48 13.870 11.800 5.173 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.592 12.695 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.939 11.088 5.827 1.00 0.00 H new ATOM 0 HG SER A 48 11.643 11.416 8.005 1.00 0.00 H new ATOM 743 N GLY A 49 12.315 9.236 3.917 1.00 0.00 N ATOM 744 CA GLY A 49 12.409 7.793 3.742 1.00 0.00 C ATOM 745 C GLY A 49 11.339 7.098 4.576 1.00 0.00 C ATOM 746 O GLY A 49 10.371 7.719 5.029 1.00 0.00 O ATOM 0 H GLY A 49 11.629 9.689 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.286 7.537 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.398 7.445 4.041 1.00 0.00 H new ATOM 750 N LEU A 50 11.458 5.781 4.697 1.00 0.00 N ATOM 751 CA LEU A 50 10.526 4.943 5.437 1.00 0.00 C ATOM 752 C LEU A 50 10.679 5.139 6.960 1.00 0.00 C ATOM 753 O LEU A 50 11.806 5.138 7.463 1.00 0.00 O ATOM 754 CB LEU A 50 10.800 3.487 5.041 1.00 0.00 C ATOM 755 CG LEU A 50 9.740 2.521 5.586 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.440 2.556 4.771 1.00 0.00 C ATOM 757 CD2 LEU A 50 10.318 1.112 5.552 1.00 0.00 C ATOM 0 H LEU A 50 12.223 5.256 4.273 1.00 0.00 H new ATOM 0 HA LEU A 50 9.500 5.219 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.833 3.409 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.781 3.191 5.412 1.00 0.00 H new ATOM 0 HG LEU A 50 9.490 2.826 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.724 1.854 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.022 3.562 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.650 2.276 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.581 0.407 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.573 0.848 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.215 1.072 6.170 1.00 0.00 H new ATOM 769 N PRO A 51 9.583 5.300 7.727 1.00 0.00 N ATOM 770 CA PRO A 51 9.651 5.479 9.172 1.00 0.00 C ATOM 771 C PRO A 51 9.928 4.129 9.840 1.00 0.00 C ATOM 772 O PRO A 51 9.508 3.080 9.345 1.00 0.00 O ATOM 773 CB PRO A 51 8.288 6.047 9.575 1.00 0.00 C ATOM 774 CG PRO A 51 7.335 5.495 8.519 1.00 0.00 C ATOM 775 CD PRO A 51 8.204 5.309 7.273 1.00 0.00 C ATOM 0 HA PRO A 51 10.452 6.150 9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.002 5.728 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.294 7.137 9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.893 4.551 8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.512 6.184 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.957 4.377 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.036 6.116 6.560 1.00 0.00 H new ATOM 783 N ALA A 52 10.529 4.150 11.034 1.00 0.00 N ATOM 784 CA ALA A 52 10.885 2.950 11.793 1.00 0.00 C ATOM 785 C ALA A 52 9.699 2.079 12.253 1.00 0.00 C ATOM 786 O ALA A 52 9.903 1.062 12.924 1.00 0.00 O ATOM 787 CB ALA A 52 11.756 3.362 12.983 1.00 0.00 C ATOM 0 H ALA A 52 10.785 5.017 11.507 1.00 0.00 H new ATOM 0 HA ALA A 52 11.432 2.304 11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.029 2.477 13.558 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.660 3.852 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.200 4.051 13.619 1.00 0.00 H new ATOM 793 N LYS A 53 8.457 2.458 11.941 1.00 0.00 N ATOM 794 CA LYS A 53 7.249 1.709 12.299 1.00 0.00 C ATOM 795 C LYS A 53 6.695 0.969 11.087 1.00 0.00 C ATOM 796 O LYS A 53 6.159 -0.130 11.206 1.00 0.00 O ATOM 797 CB LYS A 53 6.166 2.648 12.850 1.00 0.00 C ATOM 798 CG LYS A 53 6.641 3.602 13.956 1.00 0.00 C ATOM 799 CD LYS A 53 7.309 2.846 15.110 1.00 0.00 C ATOM 800 CE LYS A 53 7.458 3.780 16.306 1.00 0.00 C ATOM 801 NZ LYS A 53 8.201 3.142 17.404 1.00 0.00 N ATOM 0 H LYS A 53 8.259 3.313 11.421 1.00 0.00 H new ATOM 0 HA LYS A 53 7.526 0.989 13.069 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.765 3.240 12.027 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.345 2.045 13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.344 4.322 13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.792 4.170 14.336 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.711 1.977 15.385 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.286 2.475 14.800 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.975 4.688 15.996 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.471 4.079 16.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.283 3.806 18.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.695 2.289 17.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.151 2.879 17.073 1.00 0.00 H new ATOM 815 N LEU A 54 6.840 1.548 9.894 1.00 0.00 N ATOM 816 CA LEU A 54 6.343 0.956 8.654 1.00 0.00 C ATOM 817 C LEU A 54 7.402 0.097 7.977 1.00 0.00 C ATOM 818 O LEU A 54 7.363 -0.082 6.761 1.00 0.00 O ATOM 819 CB LEU A 54 5.756 2.046 7.742 1.00 0.00 C ATOM 820 CG LEU A 54 4.559 2.775 8.382 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.028 3.833 7.411 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.438 1.801 8.771 1.00 0.00 C ATOM 0 H LEU A 54 7.308 2.445 9.762 1.00 0.00 H new ATOM 0 HA LEU A 54 5.528 0.271 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.533 2.772 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.441 1.596 6.801 1.00 0.00 H new ATOM 0 HG LEU A 54 4.904 3.254 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.181 4.349 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.816 4.553 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.708 3.351 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.613 2.356 9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.084 1.279 7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.819 1.075 9.489 1.00 0.00 H new ATOM 834 N ARG A 55 8.312 -0.480 8.760 1.00 0.00 N ATOM 835 CA ARG A 55 9.402 -1.332 8.305 1.00 0.00 C ATOM 836 C ARG A 55 9.236 -2.799 8.719 1.00 0.00 C ATOM 837 O ARG A 55 10.181 -3.418 9.206 1.00 0.00 O ATOM 838 CB ARG A 55 10.749 -0.720 8.704 1.00 0.00 C ATOM 839 CG ARG A 55 10.947 -0.643 10.218 1.00 0.00 C ATOM 840 CD ARG A 55 12.427 -0.870 10.526 1.00 0.00 C ATOM 841 NE ARG A 55 12.858 -0.359 11.834 1.00 0.00 N ATOM 842 CZ ARG A 55 12.747 -0.994 13.004 1.00 0.00 C ATOM 843 NH1 ARG A 55 11.868 -1.982 13.151 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.525 -0.623 14.014 1.00 0.00 N ATOM 0 H ARG A 55 8.307 -0.359 9.773 1.00 0.00 H new ATOM 0 HA ARG A 55 9.373 -1.368 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.554 -1.312 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.825 0.282 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.627 0.329 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.336 -1.394 10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.636 -1.939 10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.025 -0.395 9.748 1.00 0.00 H new ATOM 0 HE ARG A 55 13.282 0.568 11.850 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.275 -2.258 12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.787 -2.464 14.046 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.195 0.136 13.890 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.453 -1.097 14.914 1.00 0.00 H new ATOM 858 N HIS A 56 8.006 -3.312 8.623 1.00 0.00 N ATOM 859 CA HIS A 56 7.704 -4.716 8.919 1.00 0.00 C ATOM 860 C HIS A 56 8.608 -5.556 8.010 1.00 0.00 C ATOM 861 O HIS A 56 9.063 -5.081 6.968 1.00 0.00 O ATOM 862 CB HIS A 56 6.229 -5.052 8.614 1.00 0.00 C ATOM 863 CG HIS A 56 5.256 -4.870 9.744 1.00 0.00 C ATOM 864 ND1 HIS A 56 4.049 -5.528 9.856 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.389 -4.044 10.825 1.00 0.00 C ATOM 866 CE1 HIS A 56 3.445 -5.079 10.966 1.00 0.00 C ATOM 867 NE2 HIS A 56 4.217 -4.160 11.580 1.00 0.00 N ATOM 0 H HIS A 56 7.192 -2.767 8.338 1.00 0.00 H new ATOM 0 HA HIS A 56 7.874 -4.920 9.976 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.903 -4.432 7.779 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.176 -6.089 8.281 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.682 -6.229 9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.240 -3.419 11.053 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.478 -5.407 11.318 1.00 0.00 H new ATOM 875 N GLU A 57 8.815 -6.820 8.371 1.00 0.00 N ATOM 876 CA GLU A 57 9.665 -7.760 7.642 1.00 0.00 C ATOM 877 C GLU A 57 9.356 -7.802 6.145 1.00 0.00 C ATOM 878 O GLU A 57 10.271 -7.943 5.337 1.00 0.00 O ATOM 879 CB GLU A 57 9.511 -9.149 8.272 1.00 0.00 C ATOM 880 CG GLU A 57 10.131 -9.210 9.677 1.00 0.00 C ATOM 881 CD GLU A 57 9.474 -10.298 10.525 1.00 0.00 C ATOM 882 OE1 GLU A 57 8.766 -9.938 11.498 1.00 0.00 O ATOM 883 OE2 GLU A 57 9.668 -11.501 10.236 1.00 0.00 O ATOM 0 H GLU A 57 8.385 -7.230 9.200 1.00 0.00 H new ATOM 0 HA GLU A 57 10.698 -7.420 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.453 -9.407 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.986 -9.893 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.201 -9.404 9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.018 -8.244 10.169 1.00 0.00 H new ATOM 890 N GLN A 58 8.081 -7.689 5.768 1.00 0.00 N ATOM 891 CA GLN A 58 7.637 -7.700 4.386 1.00 0.00 C ATOM 892 C GLN A 58 6.518 -6.684 4.264 1.00 0.00 C ATOM 893 O GLN A 58 5.664 -6.599 5.149 1.00 0.00 O ATOM 894 CB GLN A 58 7.179 -9.112 3.969 1.00 0.00 C ATOM 895 CG GLN A 58 8.202 -10.205 4.332 1.00 0.00 C ATOM 896 CD GLN A 58 7.940 -11.543 3.651 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.833 -11.626 2.428 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.834 -12.624 4.411 1.00 0.00 N ATOM 0 H GLN A 58 7.317 -7.585 6.435 1.00 0.00 H new ATOM 0 HA GLN A 58 8.453 -7.434 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.228 -9.337 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.003 -9.129 2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.200 -9.860 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.197 -10.350 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.924 -12.546 5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.662 -13.534 3.983 1.00 0.00 H new ATOM 907 N ILE A 59 6.510 -5.904 3.188 1.00 0.00 N ATOM 908 CA ILE A 59 5.499 -4.893 2.951 1.00 0.00 C ATOM 909 C ILE A 59 5.065 -4.955 1.488 1.00 0.00 C ATOM 910 O ILE A 59 5.710 -5.578 0.642 1.00 0.00 O ATOM 911 CB ILE A 59 5.976 -3.498 3.416 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.751 -2.739 2.323 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.773 -3.553 4.737 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.151 -1.330 2.757 1.00 0.00 C ATOM 0 H ILE A 59 7.214 -5.961 2.452 1.00 0.00 H new ATOM 0 HA ILE A 59 4.615 -5.094 3.556 1.00 0.00 H new ATOM 0 HB ILE A 59 5.067 -2.929 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.647 -3.302 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.138 -2.678 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.083 -2.546 5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.145 -3.971 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.654 -4.181 4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.694 -0.841 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.256 -0.754 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.788 -1.388 3.639 1.00 0.00 H new ATOM 926 N ILE A 60 3.971 -4.275 1.182 1.00 0.00 N ATOM 927 CA ILE A 60 3.363 -4.209 -0.132 1.00 0.00 C ATOM 928 C ILE A 60 3.036 -2.738 -0.404 1.00 0.00 C ATOM 929 O ILE A 60 2.715 -1.983 0.523 1.00 0.00 O ATOM 930 CB ILE A 60 2.107 -5.116 -0.129 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.404 -6.593 0.239 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.405 -5.103 -1.496 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.273 -7.250 1.026 1.00 0.00 C ATOM 0 H ILE A 60 3.462 -3.730 1.877 1.00 0.00 H new ATOM 0 HA ILE A 60 4.019 -4.567 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 60 1.464 -4.693 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.581 -7.161 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.322 -6.638 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.528 -5.749 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.097 -4.086 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.092 -5.465 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.540 -8.282 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.111 -6.704 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.359 -7.234 0.432 1.00 0.00 H new ATOM 945 N PHE A 61 3.108 -2.338 -1.674 1.00 0.00 N ATOM 946 CA PHE A 61 2.826 -0.991 -2.140 1.00 0.00 C ATOM 947 C PHE A 61 1.643 -1.032 -3.099 1.00 0.00 C ATOM 948 O PHE A 61 1.541 -1.930 -3.941 1.00 0.00 O ATOM 949 CB PHE A 61 4.050 -0.406 -2.865 1.00 0.00 C ATOM 950 CG PHE A 61 5.290 -0.194 -2.026 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.181 0.492 -0.805 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.558 -0.612 -2.481 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.319 0.718 -0.025 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.703 -0.354 -1.712 1.00 0.00 C ATOM 955 CZ PHE A 61 7.575 0.303 -0.481 1.00 0.00 C ATOM 0 H PHE A 61 3.374 -2.970 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 61 2.592 -0.360 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.306 -1.068 -3.692 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.764 0.552 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.217 0.845 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.648 -1.132 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.229 1.213 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.676 -0.660 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.452 0.490 0.120 1.00 0.00 H new ATOM 965 N HIS A 62 0.762 -0.037 -2.992 1.00 0.00 N ATOM 966 CA HIS A 62 -0.419 0.117 -3.830 1.00 0.00 C ATOM 967 C HIS A 62 -0.651 1.608 -4.099 1.00 0.00 C ATOM 968 O HIS A 62 -0.211 2.460 -3.321 1.00 0.00 O ATOM 969 CB HIS A 62 -1.647 -0.570 -3.189 1.00 0.00 C ATOM 970 CG HIS A 62 -2.174 0.001 -1.892 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.695 1.105 -1.220 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.231 -0.499 -1.170 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.427 1.260 -0.110 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.395 0.338 -0.061 1.00 0.00 N ATOM 0 H HIS A 62 0.857 0.704 -2.298 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.261 -0.380 -4.787 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.458 -0.554 -3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.394 -1.616 -3.017 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.920 1.699 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.821 -1.370 -1.412 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.260 2.020 0.639 1.00 0.00 H new ATOM 982 N CYS A 63 -1.298 1.913 -5.223 1.00 0.00 N ATOM 983 CA CYS A 63 -1.665 3.254 -5.674 1.00 0.00 C ATOM 984 C CYS A 63 -3.159 3.213 -6.020 1.00 0.00 C ATOM 985 O CYS A 63 -3.803 2.193 -5.792 1.00 0.00 O ATOM 986 CB CYS A 63 -0.852 3.709 -6.900 1.00 0.00 C ATOM 987 SG CYS A 63 0.923 3.798 -6.591 1.00 0.00 S ATOM 0 H CYS A 63 -1.596 1.191 -5.879 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.449 3.973 -4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.036 3.020 -7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.207 4.689 -7.219 1.00 0.00 H new ATOM 0 HG CYS A 63 1.533 4.186 -7.672 1.00 0.00 H new ATOM 993 N GLN A 64 -3.711 4.294 -6.577 1.00 0.00 N ATOM 994 CA GLN A 64 -5.112 4.397 -6.989 1.00 0.00 C ATOM 995 C GLN A 64 -5.511 3.208 -7.881 1.00 0.00 C ATOM 996 O GLN A 64 -6.516 2.548 -7.632 1.00 0.00 O ATOM 997 CB GLN A 64 -5.366 5.753 -7.674 1.00 0.00 C ATOM 998 CG GLN A 64 -4.657 6.018 -9.015 1.00 0.00 C ATOM 999 CD GLN A 64 -3.141 5.837 -8.973 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -2.610 4.791 -9.359 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -2.416 6.773 -8.390 1.00 0.00 N ATOM 0 H GLN A 64 -3.180 5.146 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.747 4.352 -6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.439 5.852 -7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.075 6.540 -6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.070 5.348 -9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.881 7.036 -9.336 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.857 7.636 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.414 6.634 -8.257 1.00 0.00 H new ATOM 1087 N SER A 70 5.036 0.066 -9.454 1.00 0.00 N ATOM 1088 CA SER A 70 6.162 -0.597 -10.125 1.00 0.00 C ATOM 1089 C SER A 70 7.109 0.430 -10.768 1.00 0.00 C ATOM 1090 O SER A 70 8.315 0.231 -10.835 1.00 0.00 O ATOM 1091 CB SER A 70 5.676 -1.648 -11.139 1.00 0.00 C ATOM 1092 OG SER A 70 4.563 -1.219 -11.904 1.00 0.00 O ATOM 0 HA SER A 70 6.733 -1.131 -9.366 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.496 -1.899 -11.812 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.411 -2.561 -10.606 1.00 0.00 H new ATOM 0 HG SER A 70 4.128 -0.464 -11.454 1.00 0.00 H new ATOM 1098 N ASN A 71 6.556 1.585 -11.127 1.00 0.00 N ATOM 1099 CA ASN A 71 7.212 2.742 -11.756 1.00 0.00 C ATOM 1100 C ASN A 71 8.469 3.240 -11.046 1.00 0.00 C ATOM 1101 O ASN A 71 9.343 3.819 -11.693 1.00 0.00 O ATOM 1102 CB ASN A 71 6.193 3.881 -11.770 1.00 0.00 C ATOM 1103 CG ASN A 71 6.659 5.197 -12.383 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.314 5.523 -13.514 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.336 6.045 -11.628 1.00 0.00 N ATOM 0 H ASN A 71 5.562 1.756 -10.977 1.00 0.00 H new ATOM 0 HA ASN A 71 7.537 2.423 -12.746 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.311 3.544 -12.314 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.881 4.073 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.572 6.971 -11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.623 5.774 -10.687 1.00 0.00 H new ATOM 1112 N ASN A 72 8.518 3.126 -9.717 1.00 0.00 N ATOM 1113 CA ASN A 72 9.667 3.560 -8.915 1.00 0.00 C ATOM 1114 C ASN A 72 10.194 2.425 -8.050 1.00 0.00 C ATOM 1115 O ASN A 72 10.934 2.679 -7.101 1.00 0.00 O ATOM 1116 CB ASN A 72 9.337 4.819 -8.085 1.00 0.00 C ATOM 1117 CG ASN A 72 9.671 6.099 -8.830 1.00 0.00 C ATOM 1118 OD1 ASN A 72 10.719 6.207 -9.455 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.805 7.089 -8.793 1.00 0.00 N ATOM 0 H ASN A 72 7.759 2.729 -9.163 1.00 0.00 H new ATOM 0 HA ASN A 72 10.466 3.838 -9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.278 4.816 -7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.892 4.790 -7.148 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.003 7.958 -9.288 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.936 6.987 -8.269 1.00 0.00 H new ATOM 1126 N ALA A 73 9.780 1.191 -8.336 1.00 0.00 N ATOM 1127 CA ALA A 73 10.177 -0.015 -7.640 1.00 0.00 C ATOM 1128 C ALA A 73 11.694 -0.082 -7.471 1.00 0.00 C ATOM 1129 O ALA A 73 12.148 -0.587 -6.462 1.00 0.00 O ATOM 1130 CB ALA A 73 9.647 -1.221 -8.401 1.00 0.00 C ATOM 0 H ALA A 73 9.127 1.005 -9.097 1.00 0.00 H new ATOM 0 HA ALA A 73 9.750 -0.011 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.941 -2.135 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.560 -1.168 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.060 -1.225 -9.410 1.00 0.00 H new ATOM 1136 N ASP A 74 12.457 0.474 -8.409 1.00 0.00 N ATOM 1137 CA ASP A 74 13.912 0.540 -8.435 1.00 0.00 C ATOM 1138 C ASP A 74 14.444 1.130 -7.135 1.00 0.00 C ATOM 1139 O ASP A 74 15.197 0.494 -6.399 1.00 0.00 O ATOM 1140 CB ASP A 74 14.308 1.441 -9.611 1.00 0.00 C ATOM 1141 CG ASP A 74 15.797 1.779 -9.655 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.140 2.922 -9.293 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.621 0.972 -10.153 1.00 0.00 O ATOM 0 H ASP A 74 12.044 0.921 -9.227 1.00 0.00 H new ATOM 0 HA ASP A 74 14.333 -0.459 -8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.029 0.950 -10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.736 2.367 -9.555 1.00 0.00 H new ATOM 1148 N LYS A 75 14.010 2.350 -6.828 1.00 0.00 N ATOM 1149 CA LYS A 75 14.409 3.091 -5.653 1.00 0.00 C ATOM 1150 C LYS A 75 13.593 2.689 -4.439 1.00 0.00 C ATOM 1151 O LYS A 75 14.105 2.647 -3.326 1.00 0.00 O ATOM 1152 CB LYS A 75 14.350 4.560 -6.054 1.00 0.00 C ATOM 1153 CG LYS A 75 13.262 5.461 -5.482 1.00 0.00 C ATOM 1154 CD LYS A 75 12.358 6.007 -6.574 1.00 0.00 C ATOM 1155 CE LYS A 75 13.106 6.970 -7.500 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.546 8.222 -6.857 1.00 0.00 N ATOM 0 H LYS A 75 13.349 2.859 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 75 15.424 2.869 -5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.310 5.006 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.264 4.597 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.666 4.901 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.721 6.288 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.954 5.181 -7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.511 6.522 -6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.979 6.459 -7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.461 7.217 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.873 8.890 -7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.751 8.642 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.325 8.019 -6.198 1.00 0.00 H new ATOM 1170 N LEU A 76 12.315 2.381 -4.649 1.00 0.00 N ATOM 1171 CA LEU A 76 11.412 1.960 -3.578 1.00 0.00 C ATOM 1172 C LEU A 76 11.978 0.693 -2.942 1.00 0.00 C ATOM 1173 O LEU A 76 11.961 0.606 -1.714 1.00 0.00 O ATOM 1174 CB LEU A 76 9.979 1.754 -4.085 1.00 0.00 C ATOM 1175 CG LEU A 76 9.255 3.082 -4.371 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.998 2.865 -5.215 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.797 3.736 -3.065 1.00 0.00 C ATOM 0 H LEU A 76 11.875 2.416 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 76 11.349 2.747 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.002 1.154 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.413 1.188 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 76 9.966 3.713 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.512 3.824 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.273 2.410 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.312 2.206 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.287 4.674 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.114 3.066 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.663 3.935 -2.434 1.00 0.00 H new ATOM 1189 N ALA A 77 12.497 -0.242 -3.753 1.00 0.00 N ATOM 1190 CA ALA A 77 13.122 -1.485 -3.285 1.00 0.00 C ATOM 1191 C ALA A 77 14.280 -1.155 -2.328 1.00 0.00 C ATOM 1192 O ALA A 77 14.545 -1.923 -1.405 1.00 0.00 O ATOM 1193 CB ALA A 77 13.681 -2.299 -4.457 1.00 0.00 C ATOM 0 H ALA A 77 12.493 -0.152 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 77 12.357 -2.071 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.138 -3.214 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.872 -2.553 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.431 -1.710 -4.984 1.00 0.00 H new ATOM 1199 N ALA A 78 15.006 -0.053 -2.564 1.00 0.00 N ATOM 1200 CA ALA A 78 16.121 0.379 -1.732 1.00 0.00 C ATOM 1201 C ALA A 78 15.603 1.025 -0.451 1.00 0.00 C ATOM 1202 O ALA A 78 15.858 0.491 0.625 1.00 0.00 O ATOM 1203 CB ALA A 78 17.056 1.312 -2.508 1.00 0.00 C ATOM 0 H ALA A 78 14.826 0.568 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 78 16.708 -0.495 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.880 1.620 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.452 0.789 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.503 2.192 -2.835 1.00 0.00 H new ATOM 1209 N ILE A 79 14.835 2.116 -0.565 1.00 0.00 N ATOM 1210 CA ILE A 79 14.285 2.855 0.572 1.00 0.00 C ATOM 1211 C ILE A 79 13.584 1.916 1.566 1.00 0.00 C ATOM 1212 O ILE A 79 13.702 2.100 2.777 1.00 0.00 O ATOM 1213 CB ILE A 79 13.322 3.975 0.098 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.951 5.057 -0.805 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.737 4.679 1.334 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.904 5.891 -1.570 1.00 0.00 C ATOM 0 H ILE A 79 14.575 2.515 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 79 15.120 3.325 1.091 1.00 0.00 H new ATOM 0 HB ILE A 79 12.571 3.469 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.560 5.723 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.620 4.580 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.058 5.469 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.193 3.956 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.546 5.112 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.410 6.634 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.311 5.235 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.250 6.395 -0.859 1.00 0.00 H new ATOM 1228 N ALA A 80 12.806 0.954 1.070 1.00 0.00 N ATOM 1229 CA ALA A 80 12.081 0.026 1.921 1.00 0.00 C ATOM 1230 C ALA A 80 12.970 -1.023 2.595 1.00 0.00 C ATOM 1231 O ALA A 80 12.609 -1.510 3.669 1.00 0.00 O ATOM 1232 CB ALA A 80 11.011 -0.676 1.089 1.00 0.00 C ATOM 0 H ALA A 80 12.665 0.801 0.072 1.00 0.00 H new ATOM 0 HA ALA A 80 11.640 0.615 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.461 -1.375 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.323 0.065 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.484 -1.220 0.271 1.00 0.00 H new ATOM 1238 N ALA A 81 14.065 -1.440 1.957 1.00 0.00 N ATOM 1239 CA ALA A 81 14.957 -2.444 2.519 1.00 0.00 C ATOM 1240 C ALA A 81 15.716 -1.893 3.742 1.00 0.00 C ATOM 1241 O ALA A 81 15.988 -0.684 3.786 1.00 0.00 O ATOM 1242 CB ALA A 81 15.941 -2.891 1.438 1.00 0.00 C ATOM 0 H ALA A 81 14.353 -1.091 1.043 1.00 0.00 H new ATOM 0 HA ALA A 81 14.366 -3.295 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.615 -3.644 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.391 -3.315 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.520 -2.033 1.096 1.00 0.00 H new ATOM 1248 N PRO A 82 16.130 -2.753 4.694 1.00 0.00 N ATOM 1249 CA PRO A 82 15.935 -4.201 4.722 1.00 0.00 C ATOM 1250 C PRO A 82 14.502 -4.560 5.122 1.00 0.00 C ATOM 1251 O PRO A 82 14.021 -4.115 6.163 1.00 0.00 O ATOM 1252 CB PRO A 82 16.935 -4.725 5.751 1.00 0.00 C ATOM 1253 CG PRO A 82 17.124 -3.564 6.716 1.00 0.00 C ATOM 1254 CD PRO A 82 16.923 -2.334 5.835 1.00 0.00 C ATOM 0 HA PRO A 82 16.094 -4.645 3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.554 -5.609 6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 82 17.877 -5.010 5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.401 -3.597 7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.115 -3.576 7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.416 -1.543 6.387 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.883 -1.931 5.511 1.00 0.00 H new ATOM 1262 N ALA A 83 13.865 -5.388 4.294 1.00 0.00 N ATOM 1263 CA ALA A 83 12.524 -5.955 4.319 1.00 0.00 C ATOM 1264 C ALA A 83 12.193 -6.313 2.868 1.00 0.00 C ATOM 1265 O ALA A 83 12.902 -5.882 1.951 1.00 0.00 O ATOM 1266 CB ALA A 83 11.488 -4.987 4.912 1.00 0.00 C ATOM 0 H ALA A 83 14.359 -5.723 3.467 1.00 0.00 H new ATOM 0 HA ALA A 83 12.490 -6.832 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.505 -5.458 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.767 -4.739 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.456 -4.077 4.314 1.00 0.00 H new ATOM 1272 N GLU A 84 11.128 -7.065 2.633 1.00 0.00 N ATOM 1273 CA GLU A 84 10.691 -7.463 1.300 1.00 0.00 C ATOM 1274 C GLU A 84 9.613 -6.484 0.839 1.00 0.00 C ATOM 1275 O GLU A 84 8.893 -5.913 1.659 1.00 0.00 O ATOM 1276 CB GLU A 84 10.173 -8.906 1.298 1.00 0.00 C ATOM 1277 CG GLU A 84 11.289 -9.961 1.304 1.00 0.00 C ATOM 1278 CD GLU A 84 12.298 -9.812 2.448 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.418 -9.292 2.203 1.00 0.00 O ATOM 1280 OE2 GLU A 84 12.015 -10.261 3.577 1.00 0.00 O ATOM 0 H GLU A 84 10.530 -7.424 3.378 1.00 0.00 H new ATOM 0 HA GLU A 84 11.533 -7.432 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.538 -9.056 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.547 -9.057 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.836 -10.951 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.824 -9.911 0.356 1.00 0.00 H new ATOM 1287 N ILE A 85 9.468 -6.338 -0.479 1.00 0.00 N ATOM 1288 CA ILE A 85 8.525 -5.437 -1.117 1.00 0.00 C ATOM 1289 C ILE A 85 7.815 -6.143 -2.265 1.00 0.00 C ATOM 1290 O ILE A 85 8.446 -6.910 -2.996 1.00 0.00 O ATOM 1291 CB ILE A 85 9.238 -4.161 -1.620 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.656 -4.385 -2.203 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.220 -3.100 -0.518 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.811 -4.383 -1.188 1.00 0.00 C ATOM 0 H ILE A 85 10.027 -6.866 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 85 7.781 -5.139 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 85 8.670 -3.806 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.664 -5.339 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.849 -3.610 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.723 -2.200 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.188 -2.862 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.736 -3.482 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.754 -4.549 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.844 -3.421 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.656 -5.178 -0.458 1.00 0.00 H new ATOM 1306 N PHE A 86 6.530 -5.838 -2.456 1.00 0.00 N ATOM 1307 CA PHE A 86 5.682 -6.394 -3.501 1.00 0.00 C ATOM 1308 C PHE A 86 4.757 -5.295 -4.029 1.00 0.00 C ATOM 1309 O PHE A 86 4.448 -4.345 -3.303 1.00 0.00 O ATOM 1310 CB PHE A 86 4.811 -7.522 -2.927 1.00 0.00 C ATOM 1311 CG PHE A 86 5.524 -8.727 -2.335 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.037 -8.687 -1.024 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.532 -9.946 -3.037 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.621 -9.832 -0.454 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.101 -11.098 -2.465 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.658 -11.037 -1.176 1.00 0.00 C ATOM 0 H PHE A 86 6.037 -5.171 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 86 6.312 -6.785 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.174 -7.094 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.154 -7.877 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.982 -7.772 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.097 -9.998 -4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.042 -9.785 0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.110 -12.027 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.114 -11.914 -0.741 1.00 0.00 H new ATOM 1326 N LEU A 87 4.285 -5.425 -5.269 1.00 0.00 N ATOM 1327 CA LEU A 87 3.384 -4.501 -5.917 1.00 0.00 C ATOM 1328 C LEU A 87 2.000 -5.120 -6.044 1.00 0.00 C ATOM 1329 O LEU A 87 1.857 -6.300 -6.364 1.00 0.00 O ATOM 1330 CB LEU A 87 3.878 -4.226 -7.341 1.00 0.00 C ATOM 1331 CG LEU A 87 5.122 -3.348 -7.489 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.124 -2.140 -6.557 1.00 0.00 C ATOM 1333 CD2 LEU A 87 6.484 -4.022 -7.386 1.00 0.00 C ATOM 0 H LEU A 87 4.537 -6.213 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 87 3.345 -3.588 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.081 -5.184 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.065 -3.758 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 87 5.011 -3.046 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.034 -1.561 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.256 -1.516 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.084 -2.479 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.269 -3.276 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.583 -4.494 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.575 -4.779 -8.165 1.00 0.00 H new ATOM 1345 N LEU A 88 0.975 -4.292 -5.866 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.410 -4.723 -5.990 1.00 0.00 C ATOM 1347 C LEU A 88 -0.767 -4.842 -7.477 1.00 0.00 C ATOM 1348 O LEU A 88 -0.210 -4.107 -8.303 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.323 -3.675 -5.333 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.340 -4.231 -4.332 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.258 -5.302 -4.919 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -1.685 -4.751 -3.055 1.00 0.00 C ATOM 0 H LEU A 88 1.083 -3.305 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.544 -5.688 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.699 -2.942 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.862 -3.144 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.962 -3.373 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.951 -5.648 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.821 -4.882 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.659 -6.141 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.453 -5.133 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.989 -5.552 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.145 -3.940 -2.567 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.774 -5.652 -7.801 1.00 0.00 N ATOM 1365 CA GLU A 89 -2.273 -5.893 -9.153 1.00 0.00 C ATOM 1366 C GLU A 89 -2.802 -4.582 -9.766 1.00 0.00 C ATOM 1367 O GLU A 89 -2.106 -3.967 -10.576 1.00 0.00 O ATOM 1368 CB GLU A 89 -3.319 -7.025 -9.095 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.579 -7.722 -10.436 1.00 0.00 C ATOM 1370 CD GLU A 89 -4.468 -6.912 -11.376 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -5.707 -7.054 -11.289 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -3.934 -6.145 -12.204 1.00 0.00 O ATOM 0 H GLU A 89 -2.287 -6.182 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.474 -6.224 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.989 -7.770 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.259 -6.615 -8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.626 -7.917 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.045 -8.690 -10.250 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.960 -4.097 -9.299 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.629 -2.870 -9.769 1.00 0.00 C ATOM 1381 C ASP A 90 -4.803 -1.877 -8.615 1.00 0.00 C ATOM 1382 O ASP A 90 -5.836 -1.234 -8.427 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.960 -3.218 -10.441 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.449 -2.173 -11.457 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -7.054 -2.614 -12.464 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -6.371 -0.939 -11.262 1.00 0.00 O ATOM 0 H ASP A 90 -4.479 -4.564 -8.555 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.003 -2.384 -10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.858 -4.179 -10.946 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.721 -3.342 -9.670 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.780 -1.792 -7.763 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.788 -0.888 -6.626 1.00 0.00 C ATOM 1393 C GLY A 91 -5.024 -1.071 -5.739 1.00 0.00 C ATOM 1394 O GLY A 91 -5.541 -2.181 -5.586 1.00 0.00 O ATOM 0 H GLY A 91 -2.929 -2.348 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.890 -1.051 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.751 0.141 -6.984 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.467 0.015 -5.105 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.626 0.046 -4.213 1.00 0.00 C ATOM 1400 C ILE A 92 -7.927 -0.231 -4.955 1.00 0.00 C ATOM 1401 O ILE A 92 -8.888 -0.701 -4.349 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.640 1.369 -3.434 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.505 1.286 -2.156 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -6.934 2.598 -4.301 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.921 1.855 -2.248 1.00 0.00 C ATOM 0 H ILE A 92 -5.016 0.925 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.539 -0.764 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.616 1.525 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.577 0.239 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.980 1.807 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.927 3.493 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.172 2.688 -5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.913 2.489 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.424 1.737 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.872 2.913 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.478 1.321 -3.018 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.958 0.013 -6.264 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.151 -0.255 -7.072 1.00 0.00 C ATOM 1419 C ASP A 93 -9.502 -1.739 -6.903 1.00 0.00 C ATOM 1420 O ASP A 93 -10.660 -2.114 -6.707 1.00 0.00 O ATOM 1421 CB ASP A 93 -8.903 0.099 -8.542 1.00 0.00 C ATOM 1422 CG ASP A 93 -10.169 0.010 -9.379 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -11.277 0.331 -8.894 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -10.071 -0.360 -10.574 1.00 0.00 O ATOM 0 H ASP A 93 -7.172 0.396 -6.789 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.985 0.363 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.498 1.109 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.150 -0.574 -8.953 1.00 0.00 H new ATOM 1429 N GLY A 94 -8.469 -2.590 -6.877 1.00 0.00 N ATOM 1430 CA GLY A 94 -8.613 -4.020 -6.682 1.00 0.00 C ATOM 1431 C GLY A 94 -9.099 -4.322 -5.256 1.00 0.00 C ATOM 1432 O GLY A 94 -9.806 -5.299 -5.048 1.00 0.00 O ATOM 0 H GLY A 94 -7.501 -2.291 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.321 -4.422 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.658 -4.515 -6.860 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.711 -3.527 -4.247 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.125 -3.702 -2.845 1.00 0.00 C ATOM 1438 C TRP A 95 -10.650 -3.571 -2.756 1.00 0.00 C ATOM 1439 O TRP A 95 -11.321 -4.336 -2.057 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.452 -2.664 -1.933 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.414 -3.033 -0.484 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.332 -2.678 0.437 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.402 -3.786 0.249 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.007 -3.220 1.661 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.838 -3.950 1.596 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.147 -4.329 -0.089 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -7.108 -4.701 2.532 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.391 -5.062 0.845 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.881 -5.270 2.147 1.00 0.00 C ATOM 0 H TRP A 95 -8.090 -2.730 -4.384 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.815 -4.691 -2.507 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.431 -2.504 -2.280 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.977 -1.714 -2.038 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.196 -2.059 0.244 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.561 -3.097 2.509 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.757 -4.180 -1.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.484 -4.840 3.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.431 -5.466 0.561 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.316 -5.865 2.849 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.204 -2.588 -3.471 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.639 -2.338 -3.507 1.00 0.00 C ATOM 1462 C LYS A 96 -13.331 -3.462 -4.251 1.00 0.00 C ATOM 1463 O LYS A 96 -14.318 -4.003 -3.751 1.00 0.00 O ATOM 1464 CB LYS A 96 -12.935 -0.957 -4.098 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.376 0.132 -3.174 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.921 1.518 -3.515 1.00 0.00 C ATOM 1467 CE LYS A 96 -12.263 2.540 -2.584 1.00 0.00 C ATOM 1468 NZ LYS A 96 -13.023 3.799 -2.477 1.00 0.00 N ATOM 0 H LYS A 96 -10.662 -1.941 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.037 -2.324 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.488 -0.871 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.010 -0.826 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.624 -0.109 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.288 0.144 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.710 1.763 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.004 1.539 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.156 2.102 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.259 2.759 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.528 4.450 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.104 4.236 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.973 3.600 -2.104 1.00 0.00 H new ATOM 1482 N LYS A 97 -12.803 -3.856 -5.408 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.361 -4.938 -6.213 1.00 0.00 C ATOM 1484 C LYS A 97 -13.416 -6.235 -5.405 1.00 0.00 C ATOM 1485 O LYS A 97 -14.430 -6.930 -5.449 1.00 0.00 O ATOM 1486 CB LYS A 97 -12.529 -5.073 -7.491 1.00 0.00 C ATOM 1487 CG LYS A 97 -12.891 -3.946 -8.471 1.00 0.00 C ATOM 1488 CD LYS A 97 -11.865 -3.863 -9.600 1.00 0.00 C ATOM 1489 CE LYS A 97 -12.424 -3.158 -10.833 1.00 0.00 C ATOM 1490 NZ LYS A 97 -12.559 -1.706 -10.648 1.00 0.00 N ATOM 0 H LYS A 97 -11.970 -3.430 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.389 -4.713 -6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.467 -5.030 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.712 -6.043 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.883 -4.123 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.933 -2.995 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.981 -3.331 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.544 -4.868 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.771 -3.352 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.399 -3.581 -11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.351 -1.355 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.742 -1.499 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.680 -1.235 -10.944 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.371 -6.521 -4.622 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.258 -7.704 -3.776 1.00 0.00 C ATOM 1506 C ALA A 98 -13.288 -7.727 -2.635 1.00 0.00 C ATOM 1507 O ALA A 98 -13.495 -8.773 -2.023 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.849 -7.752 -3.181 1.00 0.00 C ATOM 0 H ALA A 98 -11.555 -5.912 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.455 -8.574 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.752 -8.633 -2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.116 -7.802 -3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.674 -6.855 -2.587 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.923 -6.592 -2.323 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.916 -6.495 -1.253 1.00 0.00 C ATOM 1516 C GLY A 99 -14.268 -6.418 0.131 1.00 0.00 C ATOM 1517 O GLY A 99 -14.894 -6.749 1.141 1.00 0.00 O ATOM 0 H GLY A 99 -13.760 -5.711 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.534 -5.612 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.578 -7.360 -1.295 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.992 -6.030 0.190 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.242 -5.914 1.437 1.00 0.00 C ATOM 1523 C LEU A 100 -12.723 -4.679 2.221 1.00 0.00 C ATOM 1524 O LEU A 100 -13.377 -3.802 1.647 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.747 -5.883 1.100 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.209 -7.228 0.578 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.771 -7.066 0.090 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.223 -8.296 1.673 1.00 0.00 C ATOM 0 H LEU A 100 -12.447 -5.786 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.414 -6.771 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.567 -5.113 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.187 -5.597 1.991 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.858 -7.541 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.401 -8.024 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.741 -6.333 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.143 -6.726 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.837 -9.233 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.597 -7.972 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.244 -8.444 2.023 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.434 -4.559 3.526 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.882 -3.414 4.308 1.00 0.00 C ATOM 1542 C PRO A 101 -12.082 -2.146 3.992 1.00 0.00 C ATOM 1543 O PRO A 101 -10.953 -2.191 3.494 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.691 -3.832 5.768 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.486 -4.765 5.698 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.689 -5.486 4.366 1.00 0.00 C ATOM 0 HA PRO A 101 -13.918 -3.163 4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.501 -2.974 6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.572 -4.338 6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.546 -4.213 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.466 -5.462 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.733 -5.745 3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.238 -6.417 4.505 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.691 -1.004 4.296 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.163 0.345 4.137 1.00 0.00 C ATOM 1556 C VAL A 102 -12.783 1.184 5.262 1.00 0.00 C ATOM 1557 O VAL A 102 -13.833 0.837 5.819 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.431 0.964 2.742 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.336 0.651 1.718 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.785 0.574 2.143 1.00 0.00 C ATOM 0 H VAL A 102 -13.633 -0.998 4.687 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.075 0.321 4.204 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.435 2.036 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.587 1.114 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.383 1.044 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.258 -0.428 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.900 1.045 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.835 -0.509 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.585 0.908 2.804 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.135 2.295 5.584 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.477 3.272 6.607 1.00 0.00 C ATOM 1572 C ALA A 103 -13.539 4.261 6.107 1.00 0.00 C ATOM 1573 O ALA A 103 -13.444 5.466 6.338 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.168 3.966 7.008 1.00 0.00 C ATOM 0 H ALA A 103 -11.281 2.558 5.092 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.925 2.791 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.372 4.711 7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.468 3.226 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.733 4.454 6.136 1.00 0.00 H new