USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.000503 USER MOD Single : A 4 THR OG1 : rot 51:sc= 0.0955 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 : amide:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 0.774 (180deg=0.644) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= 0.491 K(o=0.49,f=-3.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00577 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 1.15 K(o=1.1,f=-0.12) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -1.83 F(o=-2.4,f=-1.8) USER MOD Single : A 63 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 69 THR OG1 : rot 6:sc= 0.645 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0388 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 72 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.00084) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= 1.04 (180deg=0.0395!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.620 -7.631 -2.950 1.00 0.00 N ATOM 12 CA LEU A 2 10.051 -7.249 -4.238 1.00 0.00 C ATOM 13 C LEU A 2 9.227 -8.347 -4.892 1.00 0.00 C ATOM 14 O LEU A 2 9.707 -9.089 -5.748 1.00 0.00 O ATOM 15 CB LEU A 2 11.126 -6.673 -5.179 1.00 0.00 C ATOM 16 CG LEU A 2 11.797 -5.392 -4.645 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.709 -4.794 -5.717 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.743 -4.361 -4.220 1.00 0.00 C ATOM 0 HA LEU A 2 9.337 -6.452 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.892 -7.430 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.672 -6.458 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 2 12.393 -5.655 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 2 13.179 -3.889 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.479 -5.517 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.120 -4.548 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.240 -3.466 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.122 -4.101 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.117 -4.783 -3.434 1.00 0.00 H new ATOM 30 N THR A 3 7.954 -8.415 -4.512 1.00 0.00 N ATOM 31 CA THR A 3 7.016 -9.391 -5.030 1.00 0.00 C ATOM 32 C THR A 3 5.634 -8.758 -5.157 1.00 0.00 C ATOM 33 O THR A 3 5.185 -8.052 -4.249 1.00 0.00 O ATOM 34 CB THR A 3 6.965 -10.574 -4.051 1.00 0.00 C ATOM 35 OG1 THR A 3 8.266 -11.077 -3.799 1.00 0.00 O ATOM 36 CG2 THR A 3 6.065 -11.712 -4.531 1.00 0.00 C ATOM 0 H THR A 3 7.545 -7.782 -3.825 1.00 0.00 H new ATOM 0 HA THR A 3 7.332 -9.735 -6.015 1.00 0.00 H new ATOM 0 HB THR A 3 6.534 -10.182 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.211 -11.828 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.072 -12.516 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.047 -11.343 -4.655 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.433 -12.089 -5.485 1.00 0.00 H new ATOM 44 N THR A 4 4.979 -9.004 -6.286 1.00 0.00 N ATOM 45 CA THR A 4 3.634 -8.547 -6.599 1.00 0.00 C ATOM 46 C THR A 4 2.756 -9.622 -5.965 1.00 0.00 C ATOM 47 O THR A 4 2.352 -10.579 -6.630 1.00 0.00 O ATOM 48 CB THR A 4 3.442 -8.391 -8.118 1.00 0.00 C ATOM 49 OG1 THR A 4 4.015 -9.480 -8.823 1.00 0.00 O ATOM 50 CG2 THR A 4 4.109 -7.108 -8.612 1.00 0.00 C ATOM 0 H THR A 4 5.392 -9.552 -7.041 1.00 0.00 H new ATOM 0 HA THR A 4 3.392 -7.556 -6.214 1.00 0.00 H new ATOM 0 HB THR A 4 2.368 -8.358 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.700 -10.323 -8.435 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.964 -7.013 -9.688 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.664 -6.250 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.176 -7.145 -8.392 1.00 0.00 H new ATOM 58 N ILE A 5 2.535 -9.498 -4.662 1.00 0.00 N ATOM 59 CA ILE A 5 1.761 -10.454 -3.891 1.00 0.00 C ATOM 60 C ILE A 5 0.273 -10.221 -4.114 1.00 0.00 C ATOM 61 O ILE A 5 -0.194 -9.081 -4.220 1.00 0.00 O ATOM 62 CB ILE A 5 2.193 -10.383 -2.409 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.543 -11.486 -1.551 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.984 -8.986 -1.784 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.452 -11.857 -0.372 1.00 0.00 C ATOM 0 H ILE A 5 2.894 -8.721 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 5 1.957 -11.473 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 5 3.267 -10.566 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.577 -11.144 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.354 -12.368 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.306 -9.001 -0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.570 -8.250 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.928 -8.720 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.977 -12.637 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.408 -12.220 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.618 -10.977 0.250 1.00 0.00 H new ATOM 77 N SER A 6 -0.452 -11.329 -4.247 1.00 0.00 N ATOM 78 CA SER A 6 -1.887 -11.307 -4.449 1.00 0.00 C ATOM 79 C SER A 6 -2.571 -10.778 -3.177 1.00 0.00 C ATOM 80 O SER A 6 -2.028 -10.897 -2.075 1.00 0.00 O ATOM 81 CB SER A 6 -2.351 -12.712 -4.820 1.00 0.00 C ATOM 82 OG SER A 6 -2.006 -12.989 -6.163 1.00 0.00 O ATOM 0 H SER A 6 -0.054 -12.267 -4.217 1.00 0.00 H new ATOM 0 HA SER A 6 -2.159 -10.638 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.890 -13.444 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.430 -12.796 -4.687 1.00 0.00 H new ATOM 0 HG SER A 6 -2.304 -13.893 -6.398 1.00 0.00 H new ATOM 88 N PRO A 7 -3.789 -10.231 -3.298 1.00 0.00 N ATOM 89 CA PRO A 7 -4.539 -9.662 -2.184 1.00 0.00 C ATOM 90 C PRO A 7 -4.993 -10.665 -1.135 1.00 0.00 C ATOM 91 O PRO A 7 -5.183 -10.279 0.013 1.00 0.00 O ATOM 92 CB PRO A 7 -5.757 -8.993 -2.816 1.00 0.00 C ATOM 93 CG PRO A 7 -5.962 -9.851 -4.061 1.00 0.00 C ATOM 94 CD PRO A 7 -4.534 -10.056 -4.530 1.00 0.00 C ATOM 0 HA PRO A 7 -3.888 -8.979 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.625 -9.013 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.569 -7.948 -3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.457 -10.795 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.571 -9.346 -4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.447 -10.928 -5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.172 -9.199 -5.098 1.00 0.00 H new ATOM 102 N HIS A 8 -5.193 -11.918 -1.524 1.00 0.00 N ATOM 103 CA HIS A 8 -5.646 -12.976 -0.638 1.00 0.00 C ATOM 104 C HIS A 8 -4.547 -13.315 0.368 1.00 0.00 C ATOM 105 O HIS A 8 -4.815 -13.395 1.565 1.00 0.00 O ATOM 106 CB HIS A 8 -6.106 -14.175 -1.469 1.00 0.00 C ATOM 107 CG HIS A 8 -6.476 -15.353 -0.615 1.00 0.00 C ATOM 108 ND1 HIS A 8 -5.919 -16.603 -0.713 1.00 0.00 N ATOM 109 CD2 HIS A 8 -7.329 -15.353 0.457 1.00 0.00 C ATOM 110 CE1 HIS A 8 -6.415 -17.345 0.282 1.00 0.00 C ATOM 111 NE2 HIS A 8 -7.291 -16.636 1.015 1.00 0.00 N ATOM 0 H HIS A 8 -5.041 -12.230 -2.483 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.507 -12.649 -0.055 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.964 -13.886 -2.076 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.311 -14.463 -2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.920 -14.519 0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.148 -18.374 0.471 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.823 -16.968 1.819 1.00 0.00 H new ATOM 119 N ASP A 9 -3.306 -13.498 -0.087 1.00 0.00 N ATOM 120 CA ASP A 9 -2.193 -13.785 0.825 1.00 0.00 C ATOM 121 C ASP A 9 -1.962 -12.531 1.663 1.00 0.00 C ATOM 122 O ASP A 9 -1.825 -12.581 2.887 1.00 0.00 O ATOM 123 CB ASP A 9 -0.919 -14.144 0.045 1.00 0.00 C ATOM 124 CG ASP A 9 -0.770 -15.657 -0.034 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.511 -16.289 -0.825 1.00 0.00 O ATOM 126 OD2 ASP A 9 0.099 -16.208 0.673 1.00 0.00 O ATOM 0 H ASP A 9 -3.046 -13.454 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.435 -14.639 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.965 -13.721 -0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.048 -13.709 0.534 1.00 0.00 H new ATOM 131 N ALA A 10 -1.987 -11.379 0.989 1.00 0.00 N ATOM 132 CA ALA A 10 -1.798 -10.084 1.599 1.00 0.00 C ATOM 133 C ALA A 10 -2.799 -9.791 2.708 1.00 0.00 C ATOM 134 O ALA A 10 -2.417 -9.170 3.693 1.00 0.00 O ATOM 135 CB ALA A 10 -1.810 -9.025 0.507 1.00 0.00 C ATOM 0 H ALA A 10 -2.143 -11.332 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.830 -10.074 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.668 -8.041 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.004 -9.222 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.766 -9.052 -0.016 1.00 0.00 H new ATOM 141 N GLN A 11 -4.046 -10.247 2.590 1.00 0.00 N ATOM 142 CA GLN A 11 -5.100 -10.051 3.574 1.00 0.00 C ATOM 143 C GLN A 11 -4.694 -10.604 4.947 1.00 0.00 C ATOM 144 O GLN A 11 -5.293 -10.211 5.953 1.00 0.00 O ATOM 145 CB GLN A 11 -6.362 -10.752 3.037 1.00 0.00 C ATOM 146 CG GLN A 11 -7.612 -10.653 3.916 1.00 0.00 C ATOM 147 CD GLN A 11 -8.770 -11.503 3.401 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.694 -12.176 2.377 1.00 0.00 O ATOM 149 NE2 GLN A 11 -9.887 -11.464 4.107 1.00 0.00 N ATOM 0 H GLN A 11 -4.356 -10.780 1.778 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.290 -8.988 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.597 -10.334 2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.131 -11.807 2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.362 -10.965 4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.929 -9.612 3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.935 -10.900 4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.701 -11.998 3.803 1.00 0.00 H new ATOM 158 N GLU A 12 -3.729 -11.530 5.015 1.00 0.00 N ATOM 159 CA GLU A 12 -3.298 -12.106 6.261 1.00 0.00 C ATOM 160 C GLU A 12 -2.110 -11.338 6.817 1.00 0.00 C ATOM 161 O GLU A 12 -2.216 -10.792 7.907 1.00 0.00 O ATOM 162 CB GLU A 12 -3.009 -13.598 6.056 1.00 0.00 C ATOM 163 CG GLU A 12 -2.622 -14.142 7.427 1.00 0.00 C ATOM 164 CD GLU A 12 -2.830 -15.637 7.639 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.805 -16.215 7.108 1.00 0.00 O ATOM 166 OE2 GLU A 12 -2.052 -16.207 8.438 1.00 0.00 O ATOM 0 H GLU A 12 -3.235 -11.890 4.198 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.088 -12.027 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.885 -14.115 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.204 -13.744 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.571 -13.914 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.195 -13.605 8.183 1.00 0.00 H new ATOM 173 N LEU A 13 -0.988 -11.278 6.095 1.00 0.00 N ATOM 174 CA LEU A 13 0.232 -10.592 6.529 1.00 0.00 C ATOM 175 C LEU A 13 -0.013 -9.161 7.007 1.00 0.00 C ATOM 176 O LEU A 13 0.681 -8.697 7.914 1.00 0.00 O ATOM 177 CB LEU A 13 1.334 -10.717 5.464 1.00 0.00 C ATOM 178 CG LEU A 13 0.914 -10.345 4.029 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.103 -8.869 3.692 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.663 -11.151 2.973 1.00 0.00 C ATOM 0 H LEU A 13 -0.900 -11.712 5.176 1.00 0.00 H new ATOM 0 HA LEU A 13 0.596 -11.102 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.171 -10.082 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.699 -11.744 5.463 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.150 -10.582 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.785 -8.687 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.504 -8.261 4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.155 -8.603 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.329 -10.849 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.733 -10.968 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.463 -12.213 3.116 1.00 0.00 H new ATOM 192 N ILE A 14 -1.006 -8.471 6.446 1.00 0.00 N ATOM 193 CA ILE A 14 -1.366 -7.111 6.828 1.00 0.00 C ATOM 194 C ILE A 14 -1.757 -7.140 8.314 1.00 0.00 C ATOM 195 O ILE A 14 -1.170 -6.427 9.127 1.00 0.00 O ATOM 196 CB ILE A 14 -2.438 -6.595 5.826 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.861 -5.509 4.889 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.800 -6.228 6.428 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.330 -5.692 3.441 1.00 0.00 C ATOM 0 H ILE A 14 -1.591 -8.850 5.701 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.554 -6.388 6.757 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.686 -7.462 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.163 -4.524 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.772 -5.541 4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.466 -5.882 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.233 -7.105 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.670 -5.436 7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.901 -4.908 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.005 -6.666 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.418 -5.633 3.401 1.00 0.00 H new ATOM 211 N ALA A 15 -2.685 -8.029 8.688 1.00 0.00 N ATOM 212 CA ALA A 15 -3.196 -8.237 10.041 1.00 0.00 C ATOM 213 C ALA A 15 -2.151 -8.871 10.977 1.00 0.00 C ATOM 214 O ALA A 15 -2.483 -9.277 12.093 1.00 0.00 O ATOM 215 CB ALA A 15 -4.456 -9.111 9.963 1.00 0.00 C ATOM 0 H ALA A 15 -3.122 -8.657 8.013 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.437 -7.264 10.469 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.848 -9.274 10.967 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.210 -8.609 9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.206 -10.071 9.511 1.00 0.00 H new ATOM 221 N ARG A 16 -0.898 -9.010 10.533 1.00 0.00 N ATOM 222 CA ARG A 16 0.205 -9.580 11.299 1.00 0.00 C ATOM 223 C ARG A 16 1.337 -8.573 11.490 1.00 0.00 C ATOM 224 O ARG A 16 2.253 -8.867 12.263 1.00 0.00 O ATOM 225 CB ARG A 16 0.730 -10.841 10.603 1.00 0.00 C ATOM 226 CG ARG A 16 -0.318 -11.947 10.419 1.00 0.00 C ATOM 227 CD ARG A 16 0.336 -13.144 9.704 1.00 0.00 C ATOM 228 NE ARG A 16 -0.393 -14.398 9.923 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.505 -15.071 11.069 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.223 -14.746 12.136 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.373 -16.066 11.114 1.00 0.00 N ATOM 0 H ARG A 16 -0.618 -8.717 9.597 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.174 -9.843 12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.124 -10.564 9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.564 -11.240 11.181 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.713 -12.256 11.387 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.160 -11.574 9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.388 -12.940 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.361 -13.257 10.057 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.865 -14.798 9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.882 -13.969 12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.122 -15.274 13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.929 -16.296 10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.487 -16.605 11.973 1.00 0.00 H new ATOM 245 N GLY A 17 1.308 -7.421 10.809 1.00 0.00 N ATOM 246 CA GLY A 17 2.330 -6.390 10.923 1.00 0.00 C ATOM 247 C GLY A 17 2.890 -5.891 9.592 1.00 0.00 C ATOM 248 O GLY A 17 3.703 -4.969 9.629 1.00 0.00 O ATOM 0 H GLY A 17 0.561 -7.182 10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.912 -5.542 11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.152 -6.778 11.524 1.00 0.00 H new ATOM 252 N ALA A 18 2.526 -6.468 8.438 1.00 0.00 N ATOM 253 CA ALA A 18 3.027 -6.000 7.146 1.00 0.00 C ATOM 254 C ALA A 18 2.353 -4.655 6.861 1.00 0.00 C ATOM 255 O ALA A 18 1.183 -4.604 6.487 1.00 0.00 O ATOM 256 CB ALA A 18 2.767 -7.022 6.041 1.00 0.00 C ATOM 0 H ALA A 18 1.886 -7.260 8.377 1.00 0.00 H new ATOM 0 HA ALA A 18 4.109 -5.874 7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.152 -6.641 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.268 -7.958 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.695 -7.197 5.952 1.00 0.00 H new ATOM 262 N LYS A 19 3.073 -3.554 7.059 1.00 0.00 N ATOM 263 CA LYS A 19 2.532 -2.208 6.875 1.00 0.00 C ATOM 264 C LYS A 19 2.485 -1.762 5.427 1.00 0.00 C ATOM 265 O LYS A 19 3.521 -1.649 4.785 1.00 0.00 O ATOM 266 CB LYS A 19 3.334 -1.219 7.739 1.00 0.00 C ATOM 267 CG LYS A 19 2.561 -0.831 9.007 1.00 0.00 C ATOM 268 CD LYS A 19 2.135 -2.008 9.899 1.00 0.00 C ATOM 269 CE LYS A 19 0.662 -1.990 10.307 1.00 0.00 C ATOM 270 NZ LYS A 19 0.181 -0.718 10.886 1.00 0.00 N ATOM 0 H LYS A 19 4.050 -3.569 7.352 1.00 0.00 H new ATOM 0 HA LYS A 19 1.491 -2.228 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.289 -1.666 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.557 -0.324 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.179 -0.154 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.670 -0.276 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.343 -2.940 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.749 -2.006 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.057 -2.223 9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.493 -2.786 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.859 -0.704 10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.521 -0.631 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.542 0.078 10.322 1.00 0.00 H new ATOM 284 N LEU A 20 1.294 -1.531 4.891 1.00 0.00 N ATOM 285 CA LEU A 20 1.165 -1.065 3.511 1.00 0.00 C ATOM 286 C LEU A 20 1.363 0.460 3.513 1.00 0.00 C ATOM 287 O LEU A 20 1.062 1.121 4.509 1.00 0.00 O ATOM 288 CB LEU A 20 -0.182 -1.553 2.954 1.00 0.00 C ATOM 289 CG LEU A 20 -0.371 -1.438 1.430 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.378 -2.504 0.992 1.00 0.00 C ATOM 291 CD2 LEU A 20 -0.895 -0.094 0.937 1.00 0.00 C ATOM 0 H LEU A 20 0.409 -1.656 5.383 1.00 0.00 H new ATOM 0 HA LEU A 20 1.922 -1.473 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.311 -2.598 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.978 -0.990 3.441 1.00 0.00 H new ATOM 0 HG LEU A 20 0.623 -1.563 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.528 -2.442 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.996 -3.492 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.328 -2.338 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.992 -0.117 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.869 0.103 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.199 0.695 1.222 1.00 0.00 H new ATOM 303 N ILE A 21 1.861 1.038 2.418 1.00 0.00 N ATOM 304 CA ILE A 21 2.106 2.468 2.273 1.00 0.00 C ATOM 305 C ILE A 21 1.329 2.961 1.053 1.00 0.00 C ATOM 306 O ILE A 21 1.433 2.399 -0.044 1.00 0.00 O ATOM 307 CB ILE A 21 3.619 2.771 2.153 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.518 2.029 3.171 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.854 4.291 2.258 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.333 2.413 4.645 1.00 0.00 C ATOM 0 H ILE A 21 2.111 0.505 1.585 1.00 0.00 H new ATOM 0 HA ILE A 21 1.761 2.997 3.162 1.00 0.00 H new ATOM 0 HB ILE A 21 3.916 2.393 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.338 0.959 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.559 2.204 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.920 4.501 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.319 4.798 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.489 4.650 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.015 1.828 5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.546 3.474 4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.306 2.210 4.948 1.00 0.00 H new ATOM 322 N ASP A 22 0.524 3.997 1.270 1.00 0.00 N ATOM 323 CA ASP A 22 -0.305 4.644 0.266 1.00 0.00 C ATOM 324 C ASP A 22 0.562 5.666 -0.464 1.00 0.00 C ATOM 325 O ASP A 22 0.689 6.791 0.028 1.00 0.00 O ATOM 326 CB ASP A 22 -1.442 5.420 0.934 1.00 0.00 C ATOM 327 CG ASP A 22 -2.685 4.668 1.361 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.676 5.372 1.664 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.731 3.426 1.403 1.00 0.00 O ATOM 0 H ASP A 22 0.430 4.425 2.191 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.713 3.888 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.033 5.910 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.752 6.208 0.247 1.00 0.00 H new ATOM 334 N ILE A 23 1.109 5.342 -1.638 1.00 0.00 N ATOM 335 CA ILE A 23 1.968 6.254 -2.410 1.00 0.00 C ATOM 336 C ILE A 23 1.273 6.787 -3.678 1.00 0.00 C ATOM 337 O ILE A 23 1.863 6.883 -4.759 1.00 0.00 O ATOM 338 CB ILE A 23 3.312 5.577 -2.708 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.136 4.339 -3.612 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.045 5.201 -1.414 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.113 4.362 -4.774 1.00 0.00 C ATOM 0 H ILE A 23 0.970 4.436 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 23 2.164 7.137 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 23 3.923 6.300 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.287 3.433 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.115 4.306 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.994 4.723 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.232 6.100 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.431 4.512 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.964 3.477 -5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.944 5.256 -5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.134 4.370 -4.391 1.00 0.00 H new ATOM 353 N ARG A 24 -0.012 7.092 -3.561 1.00 0.00 N ATOM 354 CA ARG A 24 -0.864 7.599 -4.631 1.00 0.00 C ATOM 355 C ARG A 24 -1.163 9.054 -4.350 1.00 0.00 C ATOM 356 O ARG A 24 -0.386 9.896 -4.797 1.00 0.00 O ATOM 357 CB ARG A 24 -2.104 6.717 -4.869 1.00 0.00 C ATOM 358 CG ARG A 24 -2.566 5.919 -3.638 1.00 0.00 C ATOM 359 CD ARG A 24 -4.098 5.716 -3.554 1.00 0.00 C ATOM 360 NE ARG A 24 -4.524 5.716 -2.142 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.547 5.078 -1.548 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.610 4.660 -2.217 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.551 4.859 -0.243 1.00 0.00 N ATOM 0 H ARG A 24 -0.513 6.989 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.341 7.546 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.925 7.350 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.888 6.019 -5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.081 4.943 -3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.229 6.433 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.610 6.510 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.376 4.774 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.954 6.289 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.675 4.818 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.365 4.179 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.769 5.176 0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.336 4.373 0.190 1.00 0.00 H new ATOM 377 N ASP A 25 -2.265 9.368 -3.670 1.00 0.00 N ATOM 378 CA ASP A 25 -2.588 10.752 -3.375 1.00 0.00 C ATOM 379 C ASP A 25 -3.606 10.862 -2.252 1.00 0.00 C ATOM 380 O ASP A 25 -4.297 9.891 -1.923 1.00 0.00 O ATOM 381 CB ASP A 25 -3.140 11.438 -4.629 1.00 0.00 C ATOM 382 CG ASP A 25 -2.456 12.794 -4.783 1.00 0.00 C ATOM 383 OD1 ASP A 25 -1.662 12.949 -5.743 1.00 0.00 O ATOM 384 OD2 ASP A 25 -2.591 13.636 -3.864 1.00 0.00 O ATOM 0 H ASP A 25 -2.939 8.687 -3.319 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.670 11.245 -3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.959 10.821 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.219 11.566 -4.546 1.00 0.00 H new ATOM 389 N ALA A 26 -3.704 12.052 -1.668 1.00 0.00 N ATOM 390 CA ALA A 26 -4.628 12.337 -0.581 1.00 0.00 C ATOM 391 C ALA A 26 -6.077 12.399 -1.076 1.00 0.00 C ATOM 392 O ALA A 26 -6.996 12.126 -0.306 1.00 0.00 O ATOM 393 CB ALA A 26 -4.215 13.647 0.090 1.00 0.00 C ATOM 0 H ALA A 26 -3.136 12.854 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.582 11.527 0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.902 13.870 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.203 13.551 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.246 14.455 -0.641 1.00 0.00 H new ATOM 399 N ASP A 27 -6.291 12.703 -2.358 1.00 0.00 N ATOM 400 CA ASP A 27 -7.611 12.807 -2.985 1.00 0.00 C ATOM 401 C ASP A 27 -8.359 11.479 -2.935 1.00 0.00 C ATOM 402 O ASP A 27 -9.584 11.454 -2.825 1.00 0.00 O ATOM 403 CB ASP A 27 -7.473 13.209 -4.462 1.00 0.00 C ATOM 404 CG ASP A 27 -7.167 14.687 -4.688 1.00 0.00 C ATOM 405 OD1 ASP A 27 -7.846 15.304 -5.537 1.00 0.00 O ATOM 406 OD2 ASP A 27 -6.180 15.206 -4.113 1.00 0.00 O ATOM 0 H ASP A 27 -5.528 12.889 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.167 13.562 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.681 12.613 -4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.398 12.958 -4.982 1.00 0.00 H new ATOM 411 N GLU A 28 -7.635 10.365 -3.029 1.00 0.00 N ATOM 412 CA GLU A 28 -8.213 9.027 -3.008 1.00 0.00 C ATOM 413 C GLU A 28 -8.672 8.689 -1.596 1.00 0.00 C ATOM 414 O GLU A 28 -9.817 8.277 -1.413 1.00 0.00 O ATOM 415 CB GLU A 28 -7.201 8.016 -3.562 1.00 0.00 C ATOM 416 CG GLU A 28 -6.764 8.376 -4.993 1.00 0.00 C ATOM 417 CD GLU A 28 -7.953 8.492 -5.956 1.00 0.00 C ATOM 418 OE1 GLU A 28 -8.571 9.580 -6.034 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.249 7.493 -6.646 1.00 0.00 O ATOM 0 H GLU A 28 -6.619 10.369 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.092 8.984 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.327 7.982 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.642 7.019 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.219 9.320 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.074 7.616 -5.361 1.00 0.00 H new ATOM 426 N TYR A 29 -7.794 8.960 -0.620 1.00 0.00 N ATOM 427 CA TYR A 29 -7.958 8.752 0.823 1.00 0.00 C ATOM 428 C TYR A 29 -9.186 9.502 1.398 1.00 0.00 C ATOM 429 O TYR A 29 -9.458 9.478 2.599 1.00 0.00 O ATOM 430 CB TYR A 29 -6.665 9.229 1.510 1.00 0.00 C ATOM 431 CG TYR A 29 -6.405 8.652 2.888 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.749 7.416 3.011 1.00 0.00 C ATOM 433 CD2 TYR A 29 -6.774 9.355 4.049 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.425 6.903 4.277 1.00 0.00 C ATOM 435 CE2 TYR A 29 -6.505 8.826 5.322 1.00 0.00 C ATOM 436 CZ TYR A 29 -5.804 7.607 5.439 1.00 0.00 C ATOM 437 OH TYR A 29 -5.483 7.119 6.662 1.00 0.00 O ATOM 0 H TYR A 29 -6.882 9.361 -0.837 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.138 7.694 1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.820 8.982 0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.697 10.316 1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.492 6.856 2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.269 10.311 3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.886 5.971 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.833 9.350 6.207 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.817 7.726 7.355 1.00 0.00 H new ATOM 447 N LEU A 30 -9.890 10.283 0.579 1.00 0.00 N ATOM 448 CA LEU A 30 -11.070 11.038 0.918 1.00 0.00 C ATOM 449 C LEU A 30 -12.290 10.124 0.836 1.00 0.00 C ATOM 450 O LEU A 30 -13.099 10.064 1.768 1.00 0.00 O ATOM 451 CB LEU A 30 -11.166 12.185 -0.102 1.00 0.00 C ATOM 452 CG LEU A 30 -12.181 13.257 0.294 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.845 14.557 -0.432 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.647 12.906 -0.002 1.00 0.00 C ATOM 0 H LEU A 30 -9.625 10.405 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.024 11.439 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.185 12.646 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.439 11.776 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.099 13.348 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.566 15.326 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.842 14.881 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.887 14.394 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.289 13.728 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.772 12.739 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.921 12.002 0.541 1.00 0.00 H new ATOM 466 N ARG A 31 -12.457 9.443 -0.301 1.00 0.00 N ATOM 467 CA ARG A 31 -13.594 8.564 -0.548 1.00 0.00 C ATOM 468 C ARG A 31 -13.358 7.122 -0.152 1.00 0.00 C ATOM 469 O ARG A 31 -14.275 6.498 0.372 1.00 0.00 O ATOM 470 CB ARG A 31 -13.972 8.604 -2.035 1.00 0.00 C ATOM 471 CG ARG A 31 -14.387 10.012 -2.483 1.00 0.00 C ATOM 472 CD ARG A 31 -15.381 9.946 -3.641 1.00 0.00 C ATOM 473 NE ARG A 31 -14.789 9.426 -4.880 1.00 0.00 N ATOM 474 CZ ARG A 31 -15.479 8.988 -5.937 1.00 0.00 C ATOM 475 NH1 ARG A 31 -16.808 8.922 -5.919 1.00 0.00 N ATOM 476 NH2 ARG A 31 -14.825 8.615 -7.022 1.00 0.00 N ATOM 0 H ARG A 31 -11.800 9.489 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.400 8.942 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.126 8.267 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.790 7.908 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.834 10.547 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.505 10.576 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.222 9.315 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.780 10.943 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.771 9.397 -4.938 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.322 9.209 -5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.313 8.584 -6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.806 8.663 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.338 8.278 -7.837 1.00 0.00 H new ATOM 490 N GLU A 32 -12.183 6.577 -0.421 1.00 0.00 N ATOM 491 CA GLU A 32 -11.852 5.191 -0.114 1.00 0.00 C ATOM 492 C GLU A 32 -10.478 5.157 0.552 1.00 0.00 C ATOM 493 O GLU A 32 -9.820 6.187 0.640 1.00 0.00 O ATOM 494 CB GLU A 32 -11.846 4.405 -1.445 1.00 0.00 C ATOM 495 CG GLU A 32 -13.236 4.335 -2.113 1.00 0.00 C ATOM 496 CD GLU A 32 -13.276 3.496 -3.393 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.171 2.250 -3.336 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.462 4.071 -4.491 1.00 0.00 O ATOM 0 H GLU A 32 -11.421 7.090 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.576 4.742 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.142 4.873 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.487 3.393 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.949 3.923 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.566 5.347 -2.345 1.00 0.00 H new ATOM 505 N HIS A 33 -10.048 4.003 1.072 1.00 0.00 N ATOM 506 CA HIS A 33 -8.732 3.892 1.707 1.00 0.00 C ATOM 507 C HIS A 33 -8.066 2.637 1.155 1.00 0.00 C ATOM 508 O HIS A 33 -7.800 2.673 -0.041 1.00 0.00 O ATOM 509 CB HIS A 33 -8.784 4.009 3.228 1.00 0.00 C ATOM 510 CG HIS A 33 -9.382 5.298 3.742 1.00 0.00 C ATOM 511 ND1 HIS A 33 -8.680 6.378 4.223 1.00 0.00 N ATOM 512 CD2 HIS A 33 -10.711 5.615 3.807 1.00 0.00 C ATOM 513 CE1 HIS A 33 -9.572 7.315 4.580 1.00 0.00 C ATOM 514 NE2 HIS A 33 -10.832 6.894 4.359 1.00 0.00 N ATOM 0 H HIS A 33 -10.588 3.138 1.066 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.103 4.745 1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.361 3.173 3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.772 3.912 3.621 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.665 6.453 4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.528 4.985 3.487 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.313 8.280 4.991 1.00 0.00 H new ATOM 522 N ILE A 34 -7.839 1.556 1.925 1.00 0.00 N ATOM 523 CA ILE A 34 -7.209 0.293 1.489 1.00 0.00 C ATOM 524 C ILE A 34 -7.063 -0.675 2.697 1.00 0.00 C ATOM 525 O ILE A 34 -7.346 -0.247 3.823 1.00 0.00 O ATOM 526 CB ILE A 34 -5.791 0.623 0.903 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.578 0.033 -0.513 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.649 0.411 1.915 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.187 -0.523 -0.827 1.00 0.00 C ATOM 0 H ILE A 34 -8.101 1.537 2.911 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.828 -0.187 0.731 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.755 1.699 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.305 -0.766 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.806 0.810 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.697 0.657 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.805 1.056 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.637 -0.630 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.170 -0.905 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.446 0.270 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.953 -1.330 -0.133 1.00 0.00 H new ATOM 541 N PRO A 35 -6.633 -1.946 2.517 1.00 0.00 N ATOM 542 CA PRO A 35 -6.405 -2.900 3.588 1.00 0.00 C ATOM 543 C PRO A 35 -5.112 -2.541 4.335 1.00 0.00 C ATOM 544 O PRO A 35 -4.016 -2.805 3.850 1.00 0.00 O ATOM 545 CB PRO A 35 -6.315 -4.279 2.932 1.00 0.00 C ATOM 546 CG PRO A 35 -5.791 -3.996 1.529 1.00 0.00 C ATOM 547 CD PRO A 35 -6.292 -2.584 1.259 1.00 0.00 C ATOM 0 HA PRO A 35 -7.209 -2.888 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.643 -4.938 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.288 -4.769 2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.703 -4.055 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.179 -4.709 0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.526 -2.007 0.742 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.164 -2.614 0.606 1.00 0.00 H new ATOM 555 N GLU A 36 -5.272 -1.919 5.500 1.00 0.00 N ATOM 556 CA GLU A 36 -4.234 -1.510 6.451 1.00 0.00 C ATOM 557 C GLU A 36 -2.994 -0.781 5.900 1.00 0.00 C ATOM 558 O GLU A 36 -1.924 -1.363 5.695 1.00 0.00 O ATOM 559 CB GLU A 36 -3.833 -2.770 7.228 1.00 0.00 C ATOM 560 CG GLU A 36 -3.783 -2.644 8.759 1.00 0.00 C ATOM 561 CD GLU A 36 -2.890 -1.546 9.349 1.00 0.00 C ATOM 562 OE1 GLU A 36 -2.862 -0.394 8.863 1.00 0.00 O ATOM 563 OE2 GLU A 36 -2.251 -1.786 10.396 1.00 0.00 O ATOM 0 H GLU A 36 -6.203 -1.667 5.833 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.679 -0.732 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.534 -3.565 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.850 -3.088 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.799 -2.479 9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.453 -3.600 9.165 1.00 0.00 H new ATOM 570 N ALA A 37 -3.114 0.530 5.703 1.00 0.00 N ATOM 571 CA ALA A 37 -2.021 1.356 5.208 1.00 0.00 C ATOM 572 C ALA A 37 -2.010 2.696 5.925 1.00 0.00 C ATOM 573 O ALA A 37 -2.683 2.859 6.944 1.00 0.00 O ATOM 574 CB ALA A 37 -2.179 1.554 3.713 1.00 0.00 C ATOM 0 H ALA A 37 -3.974 1.048 5.883 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.072 0.857 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.362 2.172 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.159 0.585 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.129 2.047 3.510 1.00 0.00 H new ATOM 580 N ASP A 38 -1.235 3.656 5.435 1.00 0.00 N ATOM 581 CA ASP A 38 -1.145 4.990 6.005 1.00 0.00 C ATOM 582 C ASP A 38 -0.804 5.941 4.859 1.00 0.00 C ATOM 583 O ASP A 38 0.026 5.603 4.010 1.00 0.00 O ATOM 584 CB ASP A 38 -0.085 5.018 7.103 1.00 0.00 C ATOM 585 CG ASP A 38 -0.400 6.089 8.136 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.964 5.765 9.206 1.00 0.00 O ATOM 587 OD2 ASP A 38 -0.102 7.277 7.885 1.00 0.00 O ATOM 0 H ASP A 38 -0.642 3.524 4.616 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.083 5.294 6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.033 4.043 7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.894 5.208 6.664 1.00 0.00 H new ATOM 592 N LEU A 39 -1.461 7.101 4.820 1.00 0.00 N ATOM 593 CA LEU A 39 -1.302 8.133 3.801 1.00 0.00 C ATOM 594 C LEU A 39 0.117 8.710 3.775 1.00 0.00 C ATOM 595 O LEU A 39 0.494 9.441 4.696 1.00 0.00 O ATOM 596 CB LEU A 39 -2.363 9.222 4.054 1.00 0.00 C ATOM 597 CG LEU A 39 -2.308 10.413 3.087 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.533 10.010 1.629 1.00 0.00 C ATOM 599 CD2 LEU A 39 -3.350 11.466 3.476 1.00 0.00 C ATOM 0 H LEU A 39 -2.148 7.356 5.530 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.452 7.695 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.352 8.767 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.246 9.593 5.072 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.301 10.823 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.482 10.895 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.763 9.301 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.514 9.546 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.298 12.304 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.346 11.024 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.149 11.821 4.487 1.00 0.00 H new ATOM 611 N ALA A 40 0.897 8.427 2.727 1.00 0.00 N ATOM 612 CA ALA A 40 2.265 8.907 2.537 1.00 0.00 C ATOM 613 C ALA A 40 2.579 8.893 1.029 1.00 0.00 C ATOM 614 O ALA A 40 3.242 7.961 0.579 1.00 0.00 O ATOM 615 CB ALA A 40 3.216 8.017 3.350 1.00 0.00 C ATOM 0 H ALA A 40 0.579 7.835 1.960 1.00 0.00 H new ATOM 0 HA ALA A 40 2.390 9.929 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.241 8.364 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.949 8.068 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.134 6.986 3.005 1.00 0.00 H new ATOM 621 N PRO A 41 2.129 9.899 0.250 1.00 0.00 N ATOM 622 CA PRO A 41 2.347 9.962 -1.193 1.00 0.00 C ATOM 623 C PRO A 41 3.810 9.828 -1.634 1.00 0.00 C ATOM 624 O PRO A 41 4.756 10.066 -0.877 1.00 0.00 O ATOM 625 CB PRO A 41 1.686 11.258 -1.683 1.00 0.00 C ATOM 626 CG PRO A 41 1.437 12.080 -0.424 1.00 0.00 C ATOM 627 CD PRO A 41 1.336 11.038 0.687 1.00 0.00 C ATOM 0 HA PRO A 41 1.890 9.089 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.333 11.791 -2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.754 11.050 -2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.250 12.782 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.522 12.666 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.713 11.436 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.299 10.748 0.856 1.00 0.00 H new ATOM 635 N LEU A 42 3.991 9.475 -2.909 1.00 0.00 N ATOM 636 CA LEU A 42 5.292 9.285 -3.545 1.00 0.00 C ATOM 637 C LEU A 42 6.170 10.529 -3.373 1.00 0.00 C ATOM 638 O LEU A 42 7.382 10.413 -3.185 1.00 0.00 O ATOM 639 CB LEU A 42 5.068 8.995 -5.037 1.00 0.00 C ATOM 640 CG LEU A 42 6.344 8.525 -5.759 1.00 0.00 C ATOM 641 CD1 LEU A 42 6.528 7.011 -5.630 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.267 8.894 -7.237 1.00 0.00 C ATOM 0 H LEU A 42 3.211 9.309 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 42 5.807 8.448 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.297 8.232 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.693 9.895 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 42 7.195 9.021 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.437 6.709 -6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.606 6.742 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.672 6.501 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.172 8.559 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.400 8.412 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.174 9.975 -7.338 1.00 0.00 H new ATOM 654 N SER A 43 5.549 11.708 -3.406 1.00 0.00 N ATOM 655 CA SER A 43 6.195 12.996 -3.259 1.00 0.00 C ATOM 656 C SER A 43 6.897 13.119 -1.905 1.00 0.00 C ATOM 657 O SER A 43 8.082 13.452 -1.871 1.00 0.00 O ATOM 658 CB SER A 43 5.142 14.091 -3.432 1.00 0.00 C ATOM 659 OG SER A 43 4.356 13.856 -4.585 1.00 0.00 O ATOM 0 H SER A 43 4.541 11.786 -3.542 1.00 0.00 H new ATOM 0 HA SER A 43 6.965 13.102 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.501 14.128 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.631 15.062 -3.511 1.00 0.00 H new ATOM 0 HG SER A 43 3.688 14.567 -4.676 1.00 0.00 H new ATOM 665 N VAL A 44 6.197 12.883 -0.786 1.00 0.00 N ATOM 666 CA VAL A 44 6.796 12.979 0.547 1.00 0.00 C ATOM 667 C VAL A 44 7.824 11.863 0.736 1.00 0.00 C ATOM 668 O VAL A 44 8.893 12.087 1.306 1.00 0.00 O ATOM 669 CB VAL A 44 5.709 13.067 1.631 1.00 0.00 C ATOM 670 CG1 VAL A 44 4.761 11.872 1.722 1.00 0.00 C ATOM 671 CG2 VAL A 44 6.318 13.379 3.003 1.00 0.00 C ATOM 0 H VAL A 44 5.211 12.623 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 44 7.355 13.909 0.650 1.00 0.00 H new ATOM 0 HB VAL A 44 5.079 13.895 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.037 12.042 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.236 11.751 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.333 10.970 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.525 13.435 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.019 12.591 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.843 14.333 2.959 1.00 0.00 H new ATOM 681 N LEU A 45 7.555 10.682 0.178 1.00 0.00 N ATOM 682 CA LEU A 45 8.486 9.549 0.253 1.00 0.00 C ATOM 683 C LEU A 45 9.839 9.936 -0.375 1.00 0.00 C ATOM 684 O LEU A 45 10.879 9.466 0.079 1.00 0.00 O ATOM 685 CB LEU A 45 7.951 8.318 -0.500 1.00 0.00 C ATOM 686 CG LEU A 45 6.820 7.454 0.093 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.258 5.990 0.181 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.347 7.864 1.490 1.00 0.00 C ATOM 0 H LEU A 45 6.696 10.482 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 45 8.601 9.301 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.610 8.664 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.800 7.657 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 45 5.987 7.604 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.449 5.393 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.500 5.622 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.137 5.911 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.551 7.194 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.181 7.803 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.972 8.887 1.461 1.00 0.00 H new ATOM 700 N GLU A 46 9.846 10.792 -1.400 1.00 0.00 N ATOM 701 CA GLU A 46 11.017 11.287 -2.121 1.00 0.00 C ATOM 702 C GLU A 46 11.593 12.556 -1.474 1.00 0.00 C ATOM 703 O GLU A 46 12.643 13.046 -1.901 1.00 0.00 O ATOM 704 CB GLU A 46 10.596 11.559 -3.575 1.00 0.00 C ATOM 705 CG GLU A 46 10.768 10.328 -4.475 1.00 0.00 C ATOM 706 CD GLU A 46 12.076 10.377 -5.271 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.032 10.768 -6.462 1.00 0.00 O ATOM 708 OE2 GLU A 46 13.135 10.048 -4.693 1.00 0.00 O ATOM 0 H GLU A 46 8.979 11.181 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 46 11.807 10.537 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.554 11.877 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.188 12.383 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.750 9.426 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.926 10.263 -5.164 1.00 0.00 H new ATOM 715 N GLN A 47 10.926 13.106 -0.461 1.00 0.00 N ATOM 716 CA GLN A 47 11.319 14.286 0.283 1.00 0.00 C ATOM 717 C GLN A 47 11.940 13.895 1.626 1.00 0.00 C ATOM 718 O GLN A 47 12.805 14.615 2.122 1.00 0.00 O ATOM 719 CB GLN A 47 10.052 15.123 0.507 1.00 0.00 C ATOM 720 CG GLN A 47 10.262 16.610 0.269 1.00 0.00 C ATOM 721 CD GLN A 47 10.882 17.322 1.463 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.228 17.523 2.485 1.00 0.00 O ATOM 723 NE2 GLN A 47 12.133 17.727 1.371 1.00 0.00 N ATOM 0 H GLN A 47 10.048 12.712 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 47 12.067 14.854 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.266 14.764 -0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.701 14.972 1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.904 16.746 -0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.304 17.074 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.664 17.554 0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.570 18.214 2.153 1.00 0.00 H new ATOM 732 N SER A 48 11.554 12.733 2.168 1.00 0.00 N ATOM 733 CA SER A 48 12.043 12.266 3.461 1.00 0.00 C ATOM 734 C SER A 48 12.334 10.765 3.514 1.00 0.00 C ATOM 735 O SER A 48 13.408 10.343 3.956 1.00 0.00 O ATOM 736 CB SER A 48 10.971 12.594 4.501 1.00 0.00 C ATOM 737 OG SER A 48 10.652 13.970 4.561 1.00 0.00 O ATOM 0 H SER A 48 10.896 12.095 1.720 1.00 0.00 H new ATOM 0 HA SER A 48 12.992 12.767 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.068 12.028 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.314 12.264 5.482 1.00 0.00 H new ATOM 0 HG SER A 48 9.962 14.116 5.241 1.00 0.00 H new ATOM 743 N GLY A 49 11.385 9.944 3.066 1.00 0.00 N ATOM 744 CA GLY A 49 11.494 8.492 3.073 1.00 0.00 C ATOM 745 C GLY A 49 10.420 7.895 3.966 1.00 0.00 C ATOM 746 O GLY A 49 9.449 8.565 4.327 1.00 0.00 O ATOM 0 H GLY A 49 10.502 10.280 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.391 8.106 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.481 8.195 3.428 1.00 0.00 H new ATOM 750 N LEU A 50 10.582 6.615 4.288 1.00 0.00 N ATOM 751 CA LEU A 50 9.671 5.844 5.122 1.00 0.00 C ATOM 752 C LEU A 50 9.780 6.290 6.595 1.00 0.00 C ATOM 753 O LEU A 50 10.868 6.168 7.173 1.00 0.00 O ATOM 754 CB LEU A 50 10.035 4.365 4.918 1.00 0.00 C ATOM 755 CG LEU A 50 8.953 3.326 5.242 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.545 3.289 6.705 1.00 0.00 C ATOM 757 CD2 LEU A 50 7.706 3.507 4.374 1.00 0.00 C ATOM 0 H LEU A 50 11.380 6.069 3.963 1.00 0.00 H new ATOM 0 HA LEU A 50 8.629 6.005 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.332 4.230 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.909 4.145 5.530 1.00 0.00 H new ATOM 0 HG LEU A 50 9.423 2.369 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.777 2.529 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.413 3.049 7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.152 4.262 6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.967 2.751 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.286 4.499 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.976 3.401 3.323 1.00 0.00 H new ATOM 769 N PRO A 51 8.722 6.837 7.226 1.00 0.00 N ATOM 770 CA PRO A 51 8.780 7.264 8.629 1.00 0.00 C ATOM 771 C PRO A 51 9.011 6.085 9.587 1.00 0.00 C ATOM 772 O PRO A 51 8.669 4.946 9.266 1.00 0.00 O ATOM 773 CB PRO A 51 7.434 7.929 8.932 1.00 0.00 C ATOM 774 CG PRO A 51 6.750 8.107 7.575 1.00 0.00 C ATOM 775 CD PRO A 51 7.395 7.059 6.670 1.00 0.00 C ATOM 0 HA PRO A 51 9.618 7.945 8.776 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.831 7.310 9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.574 8.889 9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.674 7.954 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.902 9.113 7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.814 6.137 6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.454 7.411 5.640 1.00 0.00 H new ATOM 783 N ALA A 52 9.476 6.350 10.808 1.00 0.00 N ATOM 784 CA ALA A 52 9.744 5.318 11.811 1.00 0.00 C ATOM 785 C ALA A 52 8.515 4.504 12.247 1.00 0.00 C ATOM 786 O ALA A 52 8.663 3.343 12.639 1.00 0.00 O ATOM 787 CB ALA A 52 10.331 5.988 13.049 1.00 0.00 C ATOM 0 H ALA A 52 9.679 7.296 11.132 1.00 0.00 H new ATOM 0 HA ALA A 52 10.429 4.613 11.341 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.537 5.233 13.808 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.257 6.497 12.783 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.619 6.713 13.443 1.00 0.00 H new ATOM 793 N LYS A 53 7.301 5.062 12.206 1.00 0.00 N ATOM 794 CA LYS A 53 6.075 4.392 12.613 1.00 0.00 C ATOM 795 C LYS A 53 5.906 3.047 11.917 1.00 0.00 C ATOM 796 O LYS A 53 5.882 2.005 12.575 1.00 0.00 O ATOM 797 CB LYS A 53 4.906 5.356 12.345 1.00 0.00 C ATOM 798 CG LYS A 53 3.532 4.758 12.633 1.00 0.00 C ATOM 799 CD LYS A 53 2.437 5.773 12.288 1.00 0.00 C ATOM 800 CE LYS A 53 1.012 5.250 12.494 1.00 0.00 C ATOM 801 NZ LYS A 53 0.667 5.038 13.915 1.00 0.00 N ATOM 0 H LYS A 53 7.146 6.016 11.880 1.00 0.00 H new ATOM 0 HA LYS A 53 6.108 4.154 13.676 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.038 6.249 12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.942 5.674 11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.393 3.848 12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.461 4.477 13.684 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.577 6.664 12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.554 6.078 11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.306 5.957 12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.896 4.310 11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.308 4.684 13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.319 4.342 14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.747 5.938 14.430 1.00 0.00 H new ATOM 815 N LEU A 54 5.791 3.063 10.596 1.00 0.00 N ATOM 816 CA LEU A 54 5.587 1.890 9.763 1.00 0.00 C ATOM 817 C LEU A 54 6.924 1.323 9.274 1.00 0.00 C ATOM 818 O LEU A 54 6.948 0.664 8.241 1.00 0.00 O ATOM 819 CB LEU A 54 4.780 2.370 8.518 1.00 0.00 C ATOM 820 CG LEU A 54 3.572 3.308 8.767 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.202 4.085 7.505 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.338 2.611 9.338 1.00 0.00 C ATOM 0 H LEU A 54 5.839 3.927 10.057 1.00 0.00 H new ATOM 0 HA LEU A 54 5.071 1.115 10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.470 2.881 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.418 1.487 7.991 1.00 0.00 H new ATOM 0 HG LEU A 54 3.911 4.002 9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.351 4.734 7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.051 4.691 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.939 3.386 6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.541 3.341 9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.003 1.839 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.588 2.155 10.296 1.00 0.00 H new ATOM 834 N ARG A 55 7.994 1.371 10.080 1.00 0.00 N ATOM 835 CA ARG A 55 9.303 0.837 9.663 1.00 0.00 C ATOM 836 C ARG A 55 9.440 -0.683 9.820 1.00 0.00 C ATOM 837 O ARG A 55 10.539 -1.190 9.607 1.00 0.00 O ATOM 838 CB ARG A 55 10.451 1.581 10.374 1.00 0.00 C ATOM 839 CG ARG A 55 10.767 1.074 11.799 1.00 0.00 C ATOM 840 CD ARG A 55 12.184 0.479 11.872 1.00 0.00 C ATOM 841 NE ARG A 55 12.522 -0.014 13.219 1.00 0.00 N ATOM 842 CZ ARG A 55 13.562 -0.800 13.538 1.00 0.00 C ATOM 843 NH1 ARG A 55 14.378 -1.327 12.636 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.817 -1.084 14.801 1.00 0.00 N ATOM 0 H ARG A 55 7.982 1.771 11.018 1.00 0.00 H new ATOM 0 HA ARG A 55 9.372 1.022 8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.351 1.497 9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.200 2.640 10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.677 1.896 12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.037 0.319 12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.268 -0.340 11.158 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.908 1.237 11.574 1.00 0.00 H new ATOM 0 HE ARG A 55 11.907 0.269 13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.230 -1.141 11.644 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.154 -1.918 12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.223 -0.706 15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.608 -1.682 15.040 1.00 0.00 H new ATOM 858 N HIS A 56 8.368 -1.361 10.237 1.00 0.00 N ATOM 859 CA HIS A 56 8.264 -2.798 10.479 1.00 0.00 C ATOM 860 C HIS A 56 9.043 -3.649 9.470 1.00 0.00 C ATOM 861 O HIS A 56 9.199 -3.273 8.314 1.00 0.00 O ATOM 862 CB HIS A 56 6.786 -3.225 10.547 1.00 0.00 C ATOM 863 CG HIS A 56 6.558 -4.302 11.579 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.371 -5.650 11.354 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.535 -4.103 12.932 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.218 -6.245 12.548 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.306 -5.342 13.543 1.00 0.00 N ATOM 0 H HIS A 56 7.487 -0.883 10.428 1.00 0.00 H new ATOM 0 HA HIS A 56 8.735 -2.985 11.444 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.168 -2.359 10.784 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.467 -3.586 9.569 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.669 -3.159 13.439 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.048 -7.302 12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.222 -5.524 14.543 1.00 0.00 H new ATOM 875 N GLU A 57 9.456 -4.843 9.897 1.00 0.00 N ATOM 876 CA GLU A 57 10.236 -5.822 9.139 1.00 0.00 C ATOM 877 C GLU A 57 9.766 -6.092 7.714 1.00 0.00 C ATOM 878 O GLU A 57 10.581 -6.432 6.850 1.00 0.00 O ATOM 879 CB GLU A 57 10.319 -7.123 9.963 1.00 0.00 C ATOM 880 CG GLU A 57 11.702 -7.297 10.591 1.00 0.00 C ATOM 881 CD GLU A 57 12.217 -6.010 11.242 1.00 0.00 C ATOM 882 OE1 GLU A 57 11.593 -5.498 12.198 1.00 0.00 O ATOM 883 OE2 GLU A 57 13.195 -5.454 10.680 1.00 0.00 O ATOM 0 H GLU A 57 9.242 -5.172 10.838 1.00 0.00 H new ATOM 0 HA GLU A 57 11.222 -5.382 8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.561 -7.109 10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.099 -7.976 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.660 -8.088 11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.407 -7.620 9.825 1.00 0.00 H new ATOM 890 N GLN A 58 8.473 -5.984 7.457 1.00 0.00 N ATOM 891 CA GLN A 58 7.896 -6.184 6.150 1.00 0.00 C ATOM 892 C GLN A 58 6.871 -5.087 5.988 1.00 0.00 C ATOM 893 O GLN A 58 6.147 -4.739 6.925 1.00 0.00 O ATOM 894 CB GLN A 58 7.260 -7.571 6.025 1.00 0.00 C ATOM 895 CG GLN A 58 8.294 -8.705 6.089 1.00 0.00 C ATOM 896 CD GLN A 58 7.620 -10.059 5.912 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.611 -10.343 6.553 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.110 -10.905 5.026 1.00 0.00 N ATOM 0 H GLN A 58 7.785 -5.749 8.172 1.00 0.00 H new ATOM 0 HA GLN A 58 8.654 -6.139 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.530 -7.705 6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.716 -7.633 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.045 -8.563 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.815 -8.675 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.948 -10.662 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.651 -11.802 4.869 1.00 0.00 H new ATOM 907 N ILE A 59 6.850 -4.521 4.795 1.00 0.00 N ATOM 908 CA ILE A 59 5.938 -3.471 4.426 1.00 0.00 C ATOM 909 C ILE A 59 5.385 -3.845 3.038 1.00 0.00 C ATOM 910 O ILE A 59 5.579 -4.968 2.564 1.00 0.00 O ATOM 911 CB ILE A 59 6.611 -2.083 4.571 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.588 -1.796 3.441 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.347 -1.748 5.887 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.313 -0.403 2.910 1.00 0.00 C ATOM 0 H ILE A 59 7.484 -4.790 4.043 1.00 0.00 H new ATOM 0 HA ILE A 59 5.080 -3.378 5.092 1.00 0.00 H new ATOM 0 HB ILE A 59 5.725 -1.448 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.615 -1.869 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.475 -2.533 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.761 -0.741 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.646 -1.803 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.154 -2.463 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.005 -0.180 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.289 -0.351 2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.446 0.324 3.711 1.00 0.00 H new ATOM 926 N ILE A 60 4.628 -2.955 2.410 1.00 0.00 N ATOM 927 CA ILE A 60 4.001 -3.129 1.100 1.00 0.00 C ATOM 928 C ILE A 60 3.767 -1.723 0.527 1.00 0.00 C ATOM 929 O ILE A 60 3.748 -0.735 1.253 1.00 0.00 O ATOM 930 CB ILE A 60 2.644 -3.903 1.171 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.574 -5.105 2.141 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.167 -4.384 -0.226 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.190 -5.762 2.142 1.00 0.00 C ATOM 0 H ILE A 60 4.422 -2.044 2.819 1.00 0.00 H new ATOM 0 HA ILE A 60 4.658 -3.728 0.469 1.00 0.00 H new ATOM 0 HB ILE A 60 1.981 -3.141 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.325 -5.843 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.818 -4.772 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.221 -4.916 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.031 -3.523 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.914 -5.051 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.186 -6.602 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.441 -5.032 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.957 -6.120 1.139 1.00 0.00 H new ATOM 945 N PHE A 61 3.545 -1.637 -0.776 1.00 0.00 N ATOM 946 CA PHE A 61 3.282 -0.454 -1.576 1.00 0.00 C ATOM 947 C PHE A 61 2.106 -0.724 -2.524 1.00 0.00 C ATOM 948 O PHE A 61 1.905 -1.863 -2.954 1.00 0.00 O ATOM 949 CB PHE A 61 4.544 -0.172 -2.411 1.00 0.00 C ATOM 950 CG PHE A 61 5.508 0.808 -1.782 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.718 2.066 -2.370 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.198 0.477 -0.605 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.627 2.974 -1.803 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.066 1.411 -0.027 1.00 0.00 C ATOM 955 CZ PHE A 61 7.307 2.649 -0.626 1.00 0.00 C ATOM 0 H PHE A 61 3.545 -2.477 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 61 3.036 0.394 -0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.066 -1.113 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.241 0.211 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.177 2.337 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.060 -0.492 -0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.801 3.928 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.560 1.169 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.007 3.344 -0.187 1.00 0.00 H new ATOM 965 N HIS A 62 1.343 0.315 -2.867 1.00 0.00 N ATOM 966 CA HIS A 62 0.210 0.277 -3.791 1.00 0.00 C ATOM 967 C HIS A 62 0.037 1.687 -4.364 1.00 0.00 C ATOM 968 O HIS A 62 0.529 2.643 -3.765 1.00 0.00 O ATOM 969 CB HIS A 62 -1.100 -0.191 -3.123 1.00 0.00 C ATOM 970 CG HIS A 62 -2.044 0.937 -2.764 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.823 1.923 -1.837 1.00 0.00 N flip ATOM 972 CD2 HIS A 62 -3.227 1.238 -3.407 1.00 0.00 C flip ATOM 973 CE1 HIS A 62 -2.885 2.828 -1.922 1.00 0.00 C flip ATOM 974 NE2 HIS A 62 -3.717 2.357 -2.858 1.00 0.00 N flip ATOM 0 H HIS A 62 1.506 1.249 -2.490 1.00 0.00 H new ATOM 0 HA HIS A 62 0.422 -0.452 -4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.612 -0.880 -3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.856 -0.749 -2.219 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.677 0.672 -4.209 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.010 3.732 -1.344 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -4.603 2.791 -3.118 1.00 0.00 H new ATOM 982 N CYS A 63 -0.685 1.822 -5.479 1.00 0.00 N ATOM 983 CA CYS A 63 -0.946 3.108 -6.121 1.00 0.00 C ATOM 984 C CYS A 63 -2.436 3.254 -6.470 1.00 0.00 C ATOM 985 O CYS A 63 -3.251 2.419 -6.087 1.00 0.00 O ATOM 986 CB CYS A 63 -0.046 3.282 -7.343 1.00 0.00 C ATOM 987 SG CYS A 63 1.707 3.215 -6.907 1.00 0.00 S ATOM 0 H CYS A 63 -1.108 1.031 -5.965 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.706 3.908 -5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.269 2.502 -8.071 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.265 4.237 -7.821 1.00 0.00 H new ATOM 0 HG CYS A 63 2.427 3.366 -7.979 1.00 0.00 H new ATOM 1073 N THR A 69 3.890 -0.620 -10.230 1.00 0.00 N ATOM 1074 CA THR A 69 4.429 -0.577 -8.868 1.00 0.00 C ATOM 1075 C THR A 69 5.801 -1.269 -8.894 1.00 0.00 C ATOM 1076 O THR A 69 6.810 -0.629 -8.588 1.00 0.00 O ATOM 1077 CB THR A 69 3.446 -1.188 -7.843 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.163 -1.427 -8.405 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.219 -0.243 -6.660 1.00 0.00 C ATOM 0 HA THR A 69 4.560 0.452 -8.535 1.00 0.00 H new ATOM 0 HB THR A 69 3.906 -2.124 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.187 -1.239 -9.366 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.523 -0.701 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.168 -0.052 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.804 0.698 -7.021 1.00 0.00 H new ATOM 1087 N SER A 70 5.868 -2.541 -9.309 1.00 0.00 N ATOM 1088 CA SER A 70 7.121 -3.296 -9.392 1.00 0.00 C ATOM 1089 C SER A 70 8.101 -2.627 -10.362 1.00 0.00 C ATOM 1090 O SER A 70 9.306 -2.575 -10.104 1.00 0.00 O ATOM 1091 CB SER A 70 6.844 -4.752 -9.804 1.00 0.00 C ATOM 1092 OG SER A 70 5.823 -4.832 -10.781 1.00 0.00 O ATOM 0 H SER A 70 5.049 -3.076 -9.598 1.00 0.00 H new ATOM 0 HA SER A 70 7.584 -3.302 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.758 -5.200 -10.194 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.555 -5.330 -8.926 1.00 0.00 H new ATOM 0 HG SER A 70 5.673 -5.770 -11.022 1.00 0.00 H new ATOM 1098 N ASN A 71 7.576 -2.019 -11.430 1.00 0.00 N ATOM 1099 CA ASN A 71 8.381 -1.354 -12.458 1.00 0.00 C ATOM 1100 C ASN A 71 9.114 -0.106 -11.983 1.00 0.00 C ATOM 1101 O ASN A 71 9.913 0.453 -12.739 1.00 0.00 O ATOM 1102 CB ASN A 71 7.555 -1.088 -13.713 1.00 0.00 C ATOM 1103 CG ASN A 71 7.159 -2.403 -14.373 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.217 -3.057 -13.934 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.856 -2.840 -15.403 1.00 0.00 N ATOM 0 H ASN A 71 6.572 -1.974 -11.606 1.00 0.00 H new ATOM 0 HA ASN A 71 9.175 -2.058 -12.707 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.662 -0.519 -13.455 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.129 -0.480 -14.413 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.614 -3.728 -15.842 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.637 -2.290 -15.761 1.00 0.00 H new ATOM 1112 N ASN A 72 8.856 0.354 -10.758 1.00 0.00 N ATOM 1113 CA ASN A 72 9.490 1.524 -10.145 1.00 0.00 C ATOM 1114 C ASN A 72 9.952 1.188 -8.730 1.00 0.00 C ATOM 1115 O ASN A 72 10.445 2.064 -8.019 1.00 0.00 O ATOM 1116 CB ASN A 72 8.500 2.699 -10.059 1.00 0.00 C ATOM 1117 CG ASN A 72 7.899 3.167 -11.372 1.00 0.00 C ATOM 1118 OD1 ASN A 72 6.835 3.782 -11.386 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.534 2.885 -12.491 1.00 0.00 N ATOM 0 H ASN A 72 8.176 -0.093 -10.143 1.00 0.00 H new ATOM 0 HA ASN A 72 10.341 1.805 -10.766 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.686 2.413 -9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.010 3.543 -9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.144 3.178 -13.387 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.416 2.374 -12.462 1.00 0.00 H new ATOM 1126 N ALA A 73 9.786 -0.072 -8.314 1.00 0.00 N ATOM 1127 CA ALA A 73 10.126 -0.554 -6.988 1.00 0.00 C ATOM 1128 C ALA A 73 11.586 -0.400 -6.585 1.00 0.00 C ATOM 1129 O ALA A 73 11.865 -0.539 -5.401 1.00 0.00 O ATOM 1130 CB ALA A 73 9.646 -1.991 -6.809 1.00 0.00 C ATOM 0 H ALA A 73 9.399 -0.800 -8.915 1.00 0.00 H new ATOM 0 HA ALA A 73 9.595 0.104 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.907 -2.340 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.564 -2.032 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.123 -2.629 -7.553 1.00 0.00 H new ATOM 1136 N ASP A 74 12.498 -0.100 -7.509 1.00 0.00 N ATOM 1137 CA ASP A 74 13.919 0.080 -7.211 1.00 0.00 C ATOM 1138 C ASP A 74 14.075 1.152 -6.130 1.00 0.00 C ATOM 1139 O ASP A 74 14.664 0.925 -5.073 1.00 0.00 O ATOM 1140 CB ASP A 74 14.667 0.463 -8.501 1.00 0.00 C ATOM 1141 CG ASP A 74 15.877 -0.429 -8.707 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.665 -1.599 -9.092 1.00 0.00 O ATOM 1143 OD2 ASP A 74 17.025 0.013 -8.480 1.00 0.00 O ATOM 0 H ASP A 74 12.269 0.026 -8.495 1.00 0.00 H new ATOM 0 HA ASP A 74 14.350 -0.848 -6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.996 0.376 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.982 1.505 -8.448 1.00 0.00 H new ATOM 1148 N LYS A 75 13.483 2.323 -6.381 1.00 0.00 N ATOM 1149 CA LYS A 75 13.515 3.449 -5.457 1.00 0.00 C ATOM 1150 C LYS A 75 12.769 3.095 -4.176 1.00 0.00 C ATOM 1151 O LYS A 75 13.291 3.274 -3.082 1.00 0.00 O ATOM 1152 CB LYS A 75 12.866 4.687 -6.117 1.00 0.00 C ATOM 1153 CG LYS A 75 13.864 5.767 -6.553 1.00 0.00 C ATOM 1154 CD LYS A 75 14.607 6.373 -5.353 1.00 0.00 C ATOM 1155 CE LYS A 75 15.168 7.746 -5.722 1.00 0.00 C ATOM 1156 NZ LYS A 75 15.986 8.306 -4.634 1.00 0.00 N ATOM 0 H LYS A 75 12.965 2.513 -7.239 1.00 0.00 H new ATOM 0 HA LYS A 75 14.552 3.676 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.296 4.363 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.156 5.127 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.585 5.337 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.336 6.555 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.929 6.464 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.417 5.712 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.771 7.662 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.347 8.426 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.351 9.238 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.403 8.408 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.783 7.668 -4.435 1.00 0.00 H new ATOM 1170 N LEU A 76 11.538 2.604 -4.325 1.00 0.00 N ATOM 1171 CA LEU A 76 10.626 2.231 -3.240 1.00 0.00 C ATOM 1172 C LEU A 76 11.273 1.269 -2.238 1.00 0.00 C ATOM 1173 O LEU A 76 11.079 1.417 -1.031 1.00 0.00 O ATOM 1174 CB LEU A 76 9.302 1.666 -3.802 1.00 0.00 C ATOM 1175 CG LEU A 76 8.734 2.426 -5.023 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.457 1.771 -5.572 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.480 3.918 -4.781 1.00 0.00 C ATOM 0 H LEU A 76 11.130 2.448 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 76 10.395 3.141 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.459 0.624 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.555 1.674 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 76 9.527 2.356 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.095 2.340 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.676 0.749 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.692 1.758 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.083 4.371 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.761 4.038 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.416 4.407 -4.511 1.00 0.00 H new ATOM 1189 N ALA A 77 12.046 0.301 -2.732 1.00 0.00 N ATOM 1190 CA ALA A 77 12.743 -0.697 -1.937 1.00 0.00 C ATOM 1191 C ALA A 77 13.749 -0.018 -1.021 1.00 0.00 C ATOM 1192 O ALA A 77 13.756 -0.273 0.182 1.00 0.00 O ATOM 1193 CB ALA A 77 13.463 -1.696 -2.852 1.00 0.00 C ATOM 0 H ALA A 77 12.206 0.191 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 77 12.014 -1.236 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.981 -2.438 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.734 -2.195 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.186 -1.166 -3.472 1.00 0.00 H new ATOM 1199 N ALA A 78 14.620 0.816 -1.592 1.00 0.00 N ATOM 1200 CA ALA A 78 15.642 1.530 -0.845 1.00 0.00 C ATOM 1201 C ALA A 78 15.009 2.527 0.136 1.00 0.00 C ATOM 1202 O ALA A 78 15.471 2.656 1.271 1.00 0.00 O ATOM 1203 CB ALA A 78 16.576 2.224 -1.835 1.00 0.00 C ATOM 0 H ALA A 78 14.631 1.012 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 78 16.220 0.827 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.349 2.764 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.041 1.479 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.005 2.925 -2.444 1.00 0.00 H new ATOM 1209 N ILE A 79 13.928 3.187 -0.281 1.00 0.00 N ATOM 1210 CA ILE A 79 13.170 4.176 0.478 1.00 0.00 C ATOM 1211 C ILE A 79 12.651 3.605 1.803 1.00 0.00 C ATOM 1212 O ILE A 79 12.746 4.288 2.828 1.00 0.00 O ATOM 1213 CB ILE A 79 12.054 4.741 -0.441 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.643 5.907 -1.267 1.00 0.00 C ATOM 1215 CG2 ILE A 79 10.771 5.171 0.285 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.727 6.414 -2.385 1.00 0.00 C ATOM 0 H ILE A 79 13.538 3.035 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 79 13.817 5.001 0.776 1.00 0.00 H new ATOM 0 HB ILE A 79 11.732 3.924 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.869 6.735 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.588 5.585 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.052 5.551 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.343 4.314 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.006 5.953 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.217 7.231 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.521 5.602 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.791 6.770 -1.955 1.00 0.00 H new ATOM 1228 N ALA A 80 12.135 2.372 1.797 1.00 0.00 N ATOM 1229 CA ALA A 80 11.572 1.703 2.968 1.00 0.00 C ATOM 1230 C ALA A 80 12.460 0.616 3.585 1.00 0.00 C ATOM 1231 O ALA A 80 12.009 -0.104 4.476 1.00 0.00 O ATOM 1232 CB ALA A 80 10.178 1.260 2.570 1.00 0.00 C ATOM 0 H ALA A 80 12.098 1.799 0.954 1.00 0.00 H new ATOM 0 HA ALA A 80 11.515 2.394 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.704 0.751 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.585 2.131 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.241 0.579 1.721 1.00 0.00 H new ATOM 1238 N ALA A 81 13.712 0.500 3.142 1.00 0.00 N ATOM 1239 CA ALA A 81 14.661 -0.474 3.664 1.00 0.00 C ATOM 1240 C ALA A 81 14.929 -0.193 5.164 1.00 0.00 C ATOM 1241 O ALA A 81 14.693 0.925 5.640 1.00 0.00 O ATOM 1242 CB ALA A 81 15.958 -0.321 2.847 1.00 0.00 C ATOM 0 H ALA A 81 14.097 1.088 2.402 1.00 0.00 H new ATOM 0 HA ALA A 81 14.273 -1.489 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.700 -1.034 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.750 -0.512 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.343 0.692 2.962 1.00 0.00 H new ATOM 1248 N PRO A 82 15.482 -1.152 5.929 1.00 0.00 N ATOM 1249 CA PRO A 82 15.877 -2.495 5.516 1.00 0.00 C ATOM 1250 C PRO A 82 14.704 -3.465 5.330 1.00 0.00 C ATOM 1251 O PRO A 82 14.958 -4.618 4.986 1.00 0.00 O ATOM 1252 CB PRO A 82 16.825 -2.971 6.616 1.00 0.00 C ATOM 1253 CG PRO A 82 16.282 -2.299 7.871 1.00 0.00 C ATOM 1254 CD PRO A 82 15.842 -0.942 7.327 1.00 0.00 C ATOM 0 HA PRO A 82 16.341 -2.468 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.819 -4.057 6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 82 17.854 -2.674 6.415 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.452 -2.855 8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.042 -2.203 8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.994 -0.554 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 82 16.645 -0.210 7.415 1.00 0.00 H new ATOM 1262 N ALA A 83 13.452 -3.045 5.549 1.00 0.00 N ATOM 1263 CA ALA A 83 12.285 -3.901 5.394 1.00 0.00 C ATOM 1264 C ALA A 83 12.134 -4.427 3.973 1.00 0.00 C ATOM 1265 O ALA A 83 12.655 -3.862 3.009 1.00 0.00 O ATOM 1266 CB ALA A 83 11.009 -3.130 5.745 1.00 0.00 C ATOM 0 H ALA A 83 13.226 -2.094 5.840 1.00 0.00 H new ATOM 0 HA ALA A 83 12.432 -4.744 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.145 -3.783 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.064 -2.787 6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.909 -2.270 5.082 1.00 0.00 H new ATOM 1272 N GLU A 84 11.401 -5.526 3.862 1.00 0.00 N ATOM 1273 CA GLU A 84 11.094 -6.171 2.594 1.00 0.00 C ATOM 1274 C GLU A 84 9.895 -5.437 2.002 1.00 0.00 C ATOM 1275 O GLU A 84 8.871 -5.296 2.680 1.00 0.00 O ATOM 1276 CB GLU A 84 10.652 -7.623 2.765 1.00 0.00 C ATOM 1277 CG GLU A 84 11.747 -8.629 3.086 1.00 0.00 C ATOM 1278 CD GLU A 84 11.220 -10.031 2.780 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.535 -10.634 3.639 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.387 -10.493 1.629 1.00 0.00 O ATOM 0 H GLU A 84 10.995 -6.003 4.667 1.00 0.00 H new ATOM 0 HA GLU A 84 11.992 -6.144 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.908 -7.662 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.155 -7.939 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.638 -8.421 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.036 -8.553 4.134 1.00 0.00 H new ATOM 1287 N ILE A 85 9.998 -4.994 0.747 1.00 0.00 N ATOM 1288 CA ILE A 85 8.911 -4.288 0.075 1.00 0.00 C ATOM 1289 C ILE A 85 8.204 -5.280 -0.829 1.00 0.00 C ATOM 1290 O ILE A 85 8.838 -6.108 -1.481 1.00 0.00 O ATOM 1291 CB ILE A 85 9.443 -3.017 -0.655 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.521 -1.817 0.305 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.571 -2.549 -1.840 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.239 -2.141 1.614 1.00 0.00 C ATOM 0 H ILE A 85 10.833 -5.115 0.173 1.00 0.00 H new ATOM 0 HA ILE A 85 8.179 -3.907 0.788 1.00 0.00 H new ATOM 0 HB ILE A 85 10.421 -3.323 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.037 -0.995 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.511 -1.471 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.014 -1.660 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.514 -3.342 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.568 -2.314 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.260 -1.254 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.710 -2.942 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.260 -2.459 1.400 1.00 0.00 H new ATOM 1306 N PHE A 86 6.881 -5.186 -0.851 1.00 0.00 N ATOM 1307 CA PHE A 86 5.974 -5.990 -1.644 1.00 0.00 C ATOM 1308 C PHE A 86 5.039 -5.008 -2.336 1.00 0.00 C ATOM 1309 O PHE A 86 4.955 -3.844 -1.936 1.00 0.00 O ATOM 1310 CB PHE A 86 5.193 -6.984 -0.767 1.00 0.00 C ATOM 1311 CG PHE A 86 6.002 -8.048 -0.048 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.784 -7.702 1.069 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.905 -9.401 -0.428 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.460 -8.690 1.797 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.591 -10.392 0.298 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.369 -10.038 1.414 1.00 0.00 C ATOM 0 H PHE A 86 6.387 -4.502 -0.278 1.00 0.00 H new ATOM 0 HA PHE A 86 6.516 -6.596 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.640 -6.415 -0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.456 -7.485 -1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.864 -6.667 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.302 -9.679 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.053 -8.414 2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.520 -11.427 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.894 -10.798 1.974 1.00 0.00 H new ATOM 1326 N LEU A 87 4.336 -5.463 -3.365 1.00 0.00 N ATOM 1327 CA LEU A 87 3.413 -4.647 -4.129 1.00 0.00 C ATOM 1328 C LEU A 87 2.067 -5.350 -4.112 1.00 0.00 C ATOM 1329 O LEU A 87 1.975 -6.446 -4.658 1.00 0.00 O ATOM 1330 CB LEU A 87 3.879 -4.467 -5.588 1.00 0.00 C ATOM 1331 CG LEU A 87 5.228 -3.785 -5.879 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.492 -2.521 -5.057 1.00 0.00 C ATOM 1333 CD2 LEU A 87 6.428 -4.718 -5.806 1.00 0.00 C ATOM 0 H LEU A 87 4.395 -6.427 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 87 3.356 -3.654 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.909 -5.456 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.108 -3.899 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 87 5.114 -3.476 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.464 -2.108 -5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.715 -1.785 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.486 -2.769 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.338 -4.158 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.496 -5.146 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.311 -5.519 -6.536 1.00 0.00 H new ATOM 1345 N LEU A 88 1.053 -4.761 -3.474 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.282 -5.341 -3.435 1.00 0.00 C ATOM 1347 C LEU A 88 -0.843 -5.322 -4.865 1.00 0.00 C ATOM 1348 O LEU A 88 -1.320 -4.273 -5.312 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.181 -4.551 -2.463 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.598 -5.148 -2.344 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.566 -6.517 -1.670 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.505 -4.232 -1.519 1.00 0.00 C ATOM 0 H LEU A 88 1.138 -3.875 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.247 -6.368 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.715 -4.532 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.254 -3.517 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.987 -5.247 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.579 -6.912 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.951 -7.198 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.145 -6.420 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.499 -4.673 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.089 -4.113 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.574 -3.257 -2.002 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.770 -6.463 -5.558 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.211 -6.780 -6.920 1.00 0.00 C ATOM 1366 C GLU A 89 -1.165 -5.587 -7.897 1.00 0.00 C ATOM 1367 O GLU A 89 -0.160 -5.401 -8.588 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.566 -7.507 -6.805 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.311 -7.833 -8.109 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.455 -8.624 -9.092 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -2.158 -8.107 -10.196 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -2.065 -9.769 -8.781 1.00 0.00 O ATOM 0 H GLU A 89 -0.349 -7.285 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.500 -7.452 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.401 -8.442 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.223 -6.897 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.211 -8.403 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.634 -6.905 -8.580 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.233 -4.790 -7.999 1.00 0.00 N ATOM 1380 CA ASP A 90 -2.322 -3.626 -8.880 1.00 0.00 C ATOM 1381 C ASP A 90 -3.079 -2.525 -8.146 1.00 0.00 C ATOM 1382 O ASP A 90 -3.906 -2.847 -7.287 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.999 -3.996 -10.203 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.384 -3.192 -11.342 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -1.465 -3.735 -11.992 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -2.811 -2.044 -11.597 1.00 0.00 O ATOM 0 H ASP A 90 -3.082 -4.943 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.324 -3.267 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.883 -5.063 -10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.069 -3.797 -10.142 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.792 -1.258 -8.465 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.347 -0.027 -7.890 1.00 0.00 C ATOM 1393 C GLY A 91 -4.782 -0.141 -7.369 1.00 0.00 C ATOM 1394 O GLY A 91 -5.730 0.127 -8.100 1.00 0.00 O ATOM 0 H GLY A 91 -2.108 -1.050 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.704 0.294 -7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.313 0.756 -8.647 1.00 0.00 H new ATOM 1398 N ILE A 92 -4.916 -0.505 -6.088 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.106 -0.759 -5.256 1.00 0.00 C ATOM 1400 C ILE A 92 -7.037 -1.843 -5.822 1.00 0.00 C ATOM 1401 O ILE A 92 -7.758 -2.514 -5.079 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.816 0.510 -4.734 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.681 0.098 -3.523 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.680 1.243 -5.770 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.072 1.267 -2.632 1.00 0.00 C ATOM 0 H ILE A 92 -4.074 -0.649 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.710 -1.202 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.039 1.226 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.585 -0.393 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.135 -0.635 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.136 2.119 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.057 1.557 -6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.462 0.574 -6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.678 0.905 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.173 1.745 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.646 1.990 -3.212 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.984 -2.076 -7.132 1.00 0.00 N ATOM 1418 CA ASP A 93 -7.740 -3.077 -7.858 1.00 0.00 C ATOM 1419 C ASP A 93 -7.441 -4.441 -7.233 1.00 0.00 C ATOM 1420 O ASP A 93 -8.321 -5.299 -7.177 1.00 0.00 O ATOM 1421 CB ASP A 93 -7.334 -3.010 -9.331 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.023 -4.105 -10.133 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -9.137 -3.883 -10.662 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -7.460 -5.210 -10.257 1.00 0.00 O ATOM 0 H ASP A 93 -6.374 -1.535 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.815 -2.905 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.595 -2.034 -9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.253 -3.114 -9.420 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.220 -4.585 -6.703 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.702 -5.746 -6.021 1.00 0.00 C ATOM 1431 C GLY A 94 -6.580 -6.071 -4.823 1.00 0.00 C ATOM 1432 O GLY A 94 -7.203 -7.118 -4.831 1.00 0.00 O ATOM 0 H GLY A 94 -5.532 -3.834 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.671 -6.596 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.679 -5.561 -5.695 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.670 -5.198 -3.809 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.494 -5.430 -2.613 1.00 0.00 C ATOM 1438 C TRP A 95 -8.887 -5.949 -3.004 1.00 0.00 C ATOM 1439 O TRP A 95 -9.326 -7.017 -2.573 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.662 -4.140 -1.812 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.640 -4.241 -0.673 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.684 -3.406 -0.487 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.702 -5.196 0.441 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.330 -3.738 0.684 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.714 -4.768 1.345 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -7.970 -6.337 0.830 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.937 -5.372 2.592 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.164 -6.948 2.083 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.144 -6.466 2.971 1.00 0.00 C ATOM 0 H TRP A 95 -6.172 -4.308 -3.795 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.983 -6.175 -2.004 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.691 -3.843 -1.416 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -7.988 -3.348 -2.486 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.968 -2.604 -1.152 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.171 -3.270 1.021 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.242 -6.753 0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.708 -5.000 3.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.555 -7.794 2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.284 -6.933 3.934 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.576 -5.194 -3.868 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.919 -5.541 -4.317 1.00 0.00 C ATOM 1462 C LYS A 96 -10.962 -6.812 -5.184 1.00 0.00 C ATOM 1463 O LYS A 96 -12.053 -7.340 -5.403 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.564 -4.311 -4.978 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.102 -4.391 -5.034 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.674 -3.366 -6.019 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.126 -3.705 -6.368 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.635 -2.832 -7.444 1.00 0.00 N ATOM 0 H LYS A 96 -9.215 -4.329 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.520 -5.810 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.273 -3.416 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.175 -4.204 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.406 -5.395 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.515 -4.214 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.622 -2.368 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.071 -3.350 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.194 -4.747 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.751 -3.596 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.621 -3.085 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.591 -1.840 -7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.052 -2.956 -8.296 1.00 0.00 H new ATOM 1482 N LYS A 97 -9.847 -7.343 -5.700 1.00 0.00 N ATOM 1483 CA LYS A 97 -9.854 -8.575 -6.501 1.00 0.00 C ATOM 1484 C LYS A 97 -10.338 -9.721 -5.615 1.00 0.00 C ATOM 1485 O LYS A 97 -11.068 -10.588 -6.093 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.458 -8.875 -7.084 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.476 -9.627 -8.423 1.00 0.00 C ATOM 1488 CD LYS A 97 -8.463 -8.684 -9.632 1.00 0.00 C ATOM 1489 CE LYS A 97 -9.730 -7.831 -9.667 1.00 0.00 C ATOM 1490 NZ LYS A 97 -9.670 -6.800 -10.710 1.00 0.00 N ATOM 0 H LYS A 97 -8.920 -6.935 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.527 -8.454 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.924 -7.934 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.894 -9.462 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.612 -10.289 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.364 -10.258 -8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.586 -8.039 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.384 -9.265 -10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.594 -8.472 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.875 -7.357 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.295 -6.009 -10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.693 -6.454 -10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.979 -7.205 -11.617 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.992 -9.680 -4.322 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.399 -10.664 -3.329 1.00 0.00 C ATOM 1506 C ALA A 98 -11.872 -10.452 -2.924 1.00 0.00 C ATOM 1507 O ALA A 98 -12.373 -11.135 -2.036 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.470 -10.559 -2.111 1.00 0.00 C ATOM 0 H ALA A 98 -9.406 -8.940 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.319 -11.665 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.768 -11.293 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.442 -10.752 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.539 -9.558 -1.686 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.566 -9.471 -3.518 1.00 0.00 N ATOM 1515 CA GLY A 99 -13.959 -9.148 -3.252 1.00 0.00 C ATOM 1516 C GLY A 99 -14.154 -8.353 -1.963 1.00 0.00 C ATOM 1517 O GLY A 99 -15.297 -8.103 -1.569 1.00 0.00 O ATOM 0 H GLY A 99 -12.149 -8.863 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.359 -8.576 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.535 -10.071 -3.193 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.080 -7.916 -1.302 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.146 -7.177 -0.050 1.00 0.00 C ATOM 1523 C LEU A 100 -13.338 -5.674 -0.290 1.00 0.00 C ATOM 1524 O LEU A 100 -12.711 -5.118 -1.197 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.844 -7.420 0.722 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.652 -8.892 1.145 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.174 -9.230 1.331 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.419 -9.184 2.440 1.00 0.00 C ATOM 0 H LEU A 100 -12.127 -8.071 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.005 -7.527 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.000 -7.114 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.833 -6.789 1.611 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.048 -9.518 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.074 -10.274 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.643 -9.068 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.749 -8.590 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.272 -10.226 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.050 -8.537 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.481 -8.997 2.284 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.184 -4.993 0.502 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.410 -3.564 0.361 1.00 0.00 C ATOM 1542 C PRO A 101 -13.342 -2.789 1.143 1.00 0.00 C ATOM 1543 O PRO A 101 -12.745 -3.297 2.091 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.789 -3.337 0.983 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.806 -4.343 2.136 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.994 -5.524 1.594 1.00 0.00 C ATOM 0 HA PRO A 101 -14.359 -3.227 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.910 -2.313 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.591 -3.525 0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.356 -3.927 3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.822 -4.640 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.364 -5.954 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.651 -6.319 1.241 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.063 -1.550 0.763 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.118 -0.648 1.400 1.00 0.00 C ATOM 1556 C VAL A 102 -12.796 -0.050 2.647 1.00 0.00 C ATOM 1557 O VAL A 102 -14.016 -0.159 2.799 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.821 0.469 0.377 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.847 -0.001 -0.703 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.101 0.947 -0.336 1.00 0.00 C ATOM 0 H VAL A 102 -13.517 -1.124 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.198 -1.151 1.698 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.384 1.286 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.662 0.812 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.907 -0.301 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.276 -0.850 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.849 1.733 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.556 0.110 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.804 1.336 0.401 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.047 0.668 3.491 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.585 1.290 4.700 1.00 0.00 C ATOM 1572 C ALA A 103 -13.322 2.593 4.341 1.00 0.00 C ATOM 1573 O ALA A 103 -12.927 3.677 4.763 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.433 1.561 5.678 1.00 0.00 C ATOM 0 H ALA A 103 -11.050 0.833 3.353 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.302 0.620 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.825 2.025 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.945 0.621 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.710 2.230 5.212 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.424 2.518 3.597 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.180 3.703 3.186 1.00 0.00 C ATOM 1582 C VAL A 104 -16.034 4.208 4.353 1.00 0.00 C ATOM 1583 O VAL A 104 -16.200 3.519 5.362 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.141 3.344 2.025 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.405 3.337 0.689 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.890 2.016 2.218 1.00 0.00 C ATOM 0 H VAL A 104 -14.818 1.639 3.262 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.469 4.467 2.871 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.898 4.128 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.102 3.082 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.983 4.324 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.603 2.600 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.541 1.838 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.171 1.201 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.490 2.065 3.127 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.575 5.417 4.212 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.440 6.068 5.182 1.00 0.00 C ATOM 1598 C ASN A 105 -18.843 5.958 4.603 1.00 0.00 C ATOM 1599 O ASN A 105 -19.429 6.933 4.128 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.004 7.515 5.435 1.00 0.00 C ATOM 1601 CG ASN A 105 -15.801 7.544 6.358 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -15.952 7.440 7.576 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -14.601 7.663 5.829 1.00 0.00 N ATOM 0 H ASN A 105 -16.413 5.989 3.383 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.393 5.596 6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.759 7.999 4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.825 8.078 5.878 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.777 7.670 6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -14.495 7.748 4.818 1.00 0.00 H new