USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 605 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.8!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.2) USER MOD Single : A 30 ASN : amide:sc= -1.46 K(o=-1.5,f=-5!) USER MOD Single : A 34 THR OG1 : rot 126:sc= 1.07 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -155:sc= -0.17 (180deg=-0.822) USER MOD Single : A 42 THR OG1 : rot -166:sc= 0.00917 USER MOD Single : A 44 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.9!) USER MOD Single : A 50 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.5!) USER MOD Single : A 60 SER OG : rot 180:sc= -1.29 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -91:sc= -2.1! USER MOD Single : A 71 ASN : amide:sc= -2.31 K(o=-2.3,f=-3.6!) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.0132 (180deg=-0.45) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 81 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.066 -14.162 6.282 1.00 0.00 N ATOM 24 CA GLU A 4 3.802 -13.002 6.755 1.00 0.00 C ATOM 25 C GLU A 4 4.574 -12.356 5.602 1.00 0.00 C ATOM 26 O GLU A 4 4.880 -11.166 5.644 1.00 0.00 O ATOM 27 CB GLU A 4 4.744 -13.379 7.901 1.00 0.00 C ATOM 28 CG GLU A 4 6.174 -13.569 7.395 1.00 0.00 C ATOM 29 CD GLU A 4 6.952 -14.531 8.296 1.00 0.00 C ATOM 30 OE1 GLU A 4 7.106 -14.190 9.489 1.00 0.00 O ATOM 31 OE2 GLU A 4 7.375 -15.584 7.772 1.00 0.00 O ATOM 0 HA GLU A 4 3.086 -12.276 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.725 -12.600 8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.397 -14.297 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.155 -13.955 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.682 -12.605 7.361 1.00 0.00 H new ATOM 38 N ALA A 5 4.865 -13.170 4.598 1.00 0.00 N ATOM 39 CA ALA A 5 5.595 -12.694 3.436 1.00 0.00 C ATOM 40 C ALA A 5 4.690 -11.774 2.612 1.00 0.00 C ATOM 41 O ALA A 5 5.146 -11.131 1.669 1.00 0.00 O ATOM 42 CB ALA A 5 6.103 -13.889 2.626 1.00 0.00 C ATOM 0 H ALA A 5 4.608 -14.157 4.565 1.00 0.00 H new ATOM 0 HA ALA A 5 6.466 -12.114 3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.651 -13.531 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.764 -14.495 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.257 -14.494 2.300 1.00 0.00 H new ATOM 48 N ILE A 6 3.424 -11.741 3.001 1.00 0.00 N ATOM 49 CA ILE A 6 2.451 -10.912 2.311 1.00 0.00 C ATOM 50 C ILE A 6 2.360 -9.553 3.009 1.00 0.00 C ATOM 51 O ILE A 6 2.397 -8.512 2.354 1.00 0.00 O ATOM 52 CB ILE A 6 1.109 -11.637 2.202 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.931 -12.257 0.813 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.049 -10.706 2.567 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.520 -12.682 0.585 1.00 0.00 C ATOM 0 H ILE A 6 3.050 -12.275 3.785 1.00 0.00 H new ATOM 0 HA ILE A 6 2.770 -10.725 1.286 1.00 0.00 H new ATOM 0 HB ILE A 6 1.104 -12.455 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.228 -11.538 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.587 -13.121 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.992 -11.247 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.076 -10.355 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.057 -9.853 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.619 -13.119 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.806 -13.419 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.171 -11.811 0.665 1.00 0.00 H new ATOM 67 N LYS A 7 2.244 -9.606 4.327 1.00 0.00 N ATOM 68 CA LYS A 7 2.147 -8.393 5.121 1.00 0.00 C ATOM 69 C LYS A 7 3.468 -7.626 5.033 1.00 0.00 C ATOM 70 O LYS A 7 3.471 -6.400 4.926 1.00 0.00 O ATOM 71 CB LYS A 7 1.722 -8.722 6.553 1.00 0.00 C ATOM 72 CG LYS A 7 0.853 -7.606 7.136 1.00 0.00 C ATOM 73 CD LYS A 7 1.255 -7.295 8.579 1.00 0.00 C ATOM 74 CE LYS A 7 0.167 -7.738 9.560 1.00 0.00 C ATOM 75 NZ LYS A 7 0.761 -8.085 10.870 1.00 0.00 N ATOM 0 H LYS A 7 2.215 -10.471 4.866 1.00 0.00 H new ATOM 0 HA LYS A 7 1.370 -7.739 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.170 -9.662 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.606 -8.863 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.951 -6.708 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.196 -7.902 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.191 -7.800 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.434 -6.225 8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.565 -6.940 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.366 -8.599 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.009 -8.383 11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.442 -8.861 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.250 -7.254 11.261 1.00 0.00 H new ATOM 89 N ASN A 8 4.557 -8.378 5.080 1.00 0.00 N ATOM 90 CA ASN A 8 5.881 -7.784 5.006 1.00 0.00 C ATOM 91 C ASN A 8 6.103 -7.214 3.603 1.00 0.00 C ATOM 92 O ASN A 8 6.460 -6.046 3.452 1.00 0.00 O ATOM 93 CB ASN A 8 6.969 -8.826 5.270 1.00 0.00 C ATOM 94 CG ASN A 8 8.015 -8.292 6.250 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.097 -7.106 6.525 1.00 0.00 O ATOM 96 ND2 ASN A 8 8.807 -9.229 6.761 1.00 0.00 N ATOM 0 H ASN A 8 4.550 -9.394 5.168 1.00 0.00 H new ATOM 0 HA ASN A 8 5.941 -7.001 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.518 -9.733 5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.451 -9.099 4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.537 -8.973 7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.685 -10.204 6.488 1.00 0.00 H new ATOM 103 N GLY A 9 5.883 -8.065 2.612 1.00 0.00 N ATOM 104 CA GLY A 9 6.053 -7.662 1.227 1.00 0.00 C ATOM 105 C GLY A 9 5.278 -6.377 0.930 1.00 0.00 C ATOM 106 O GLY A 9 5.829 -5.430 0.372 1.00 0.00 O ATOM 0 H GLY A 9 5.588 -9.033 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.112 -7.509 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.709 -8.459 0.568 1.00 0.00 H new ATOM 110 N VAL A 10 4.011 -6.385 1.318 1.00 0.00 N ATOM 111 CA VAL A 10 3.154 -5.232 1.101 1.00 0.00 C ATOM 112 C VAL A 10 3.832 -3.984 1.670 1.00 0.00 C ATOM 113 O VAL A 10 3.914 -2.956 0.999 1.00 0.00 O ATOM 114 CB VAL A 10 1.770 -5.487 1.701 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.072 -4.172 2.049 1.00 0.00 C ATOM 116 CG2 VAL A 10 0.911 -6.332 0.759 1.00 0.00 C ATOM 0 H VAL A 10 3.557 -7.172 1.782 1.00 0.00 H new ATOM 0 HA VAL A 10 3.004 -5.063 0.035 1.00 0.00 H new ATOM 0 HB VAL A 10 1.904 -6.049 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.090 -4.382 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.671 -3.623 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.956 -3.572 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.067 -6.498 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.789 -5.809 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.398 -7.291 0.585 1.00 0.00 H new ATOM 126 N LEU A 11 4.300 -4.114 2.903 1.00 0.00 N ATOM 127 CA LEU A 11 4.967 -3.011 3.571 1.00 0.00 C ATOM 128 C LEU A 11 6.288 -2.712 2.859 1.00 0.00 C ATOM 129 O LEU A 11 6.572 -1.563 2.525 1.00 0.00 O ATOM 130 CB LEU A 11 5.127 -3.305 5.064 1.00 0.00 C ATOM 131 CG LEU A 11 4.766 -2.161 6.015 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.507 -2.302 7.346 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.019 -0.802 5.360 1.00 0.00 C ATOM 0 H LEU A 11 4.230 -4.968 3.457 1.00 0.00 H new ATOM 0 HA LEU A 11 4.360 -2.108 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.508 -4.167 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.162 -3.592 5.249 1.00 0.00 H new ATOM 0 HG LEU A 11 3.699 -2.220 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.233 -1.477 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.234 -3.247 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.582 -2.283 7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.754 -0.007 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.073 -0.716 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.410 -0.713 4.460 1.00 0.00 H new ATOM 145 N ASP A 12 7.060 -3.768 2.645 1.00 0.00 N ATOM 146 CA ASP A 12 8.344 -3.634 1.978 1.00 0.00 C ATOM 147 C ASP A 12 8.145 -2.923 0.637 1.00 0.00 C ATOM 148 O ASP A 12 8.740 -1.874 0.393 1.00 0.00 O ATOM 149 CB ASP A 12 8.965 -5.003 1.700 1.00 0.00 C ATOM 150 CG ASP A 12 10.490 -5.058 1.821 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.150 -4.799 0.792 1.00 0.00 O ATOM 152 OD2 ASP A 12 10.959 -5.359 2.939 1.00 0.00 O ATOM 0 H ASP A 12 6.821 -4.720 2.922 1.00 0.00 H new ATOM 0 HA ASP A 12 9.006 -3.064 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.534 -5.728 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.684 -5.315 0.694 1.00 0.00 H new ATOM 157 N ILE A 13 7.307 -3.522 -0.195 1.00 0.00 N ATOM 158 CA ILE A 13 7.022 -2.960 -1.504 1.00 0.00 C ATOM 159 C ILE A 13 6.562 -1.509 -1.343 1.00 0.00 C ATOM 160 O ILE A 13 6.638 -0.721 -2.284 1.00 0.00 O ATOM 161 CB ILE A 13 6.025 -3.840 -2.261 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.752 -4.862 -3.138 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.043 -2.989 -3.067 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.020 -6.205 -3.138 1.00 0.00 C ATOM 0 H ILE A 13 6.816 -4.392 0.012 1.00 0.00 H new ATOM 0 HA ILE A 13 7.925 -2.943 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 13 5.441 -4.400 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.826 -4.484 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.770 -4.999 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.346 -3.640 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.490 -2.335 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.593 -2.384 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.558 -6.913 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.969 -6.592 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.010 -6.069 -3.525 1.00 0.00 H new ATOM 176 N LEU A 14 6.095 -1.201 -0.142 1.00 0.00 N ATOM 177 CA LEU A 14 5.622 0.141 0.155 1.00 0.00 C ATOM 178 C LEU A 14 6.812 1.024 0.535 1.00 0.00 C ATOM 179 O LEU A 14 7.069 2.037 -0.114 1.00 0.00 O ATOM 180 CB LEU A 14 4.523 0.099 1.220 1.00 0.00 C ATOM 181 CG LEU A 14 3.097 0.345 0.722 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.806 -0.476 -0.535 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.076 0.078 1.830 1.00 0.00 C ATOM 0 H LEU A 14 6.034 -1.857 0.637 1.00 0.00 H new ATOM 0 HA LEU A 14 5.162 0.586 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.554 -0.876 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.754 0.843 1.982 1.00 0.00 H new ATOM 0 HG LEU A 14 3.007 1.396 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.786 -0.283 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.505 -0.195 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.920 -1.537 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.071 0.260 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.158 -0.958 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.271 0.742 2.672 1.00 0.00 H new ATOM 195 N ALA A 15 7.507 0.607 1.583 1.00 0.00 N ATOM 196 CA ALA A 15 8.664 1.348 2.057 1.00 0.00 C ATOM 197 C ALA A 15 9.644 1.548 0.899 1.00 0.00 C ATOM 198 O ALA A 15 10.331 2.566 0.832 1.00 0.00 O ATOM 199 CB ALA A 15 9.297 0.606 3.235 1.00 0.00 C ATOM 0 H ALA A 15 7.291 -0.235 2.117 1.00 0.00 H new ATOM 0 HA ALA A 15 8.369 2.335 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.165 1.161 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.569 0.515 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.609 -0.388 2.914 1.00 0.00 H new ATOM 205 N ASP A 16 9.677 0.560 0.016 1.00 0.00 N ATOM 206 CA ASP A 16 10.562 0.616 -1.135 1.00 0.00 C ATOM 207 C ASP A 16 10.055 1.679 -2.112 1.00 0.00 C ATOM 208 O ASP A 16 10.845 2.424 -2.689 1.00 0.00 O ATOM 209 CB ASP A 16 10.593 -0.725 -1.870 1.00 0.00 C ATOM 210 CG ASP A 16 11.978 -1.172 -2.341 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.348 -0.781 -3.469 1.00 0.00 O ATOM 212 OD2 ASP A 16 12.637 -1.895 -1.562 1.00 0.00 O ATOM 0 H ASP A 16 9.106 -0.283 0.075 1.00 0.00 H new ATOM 0 HA ASP A 16 11.564 0.856 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.184 -1.492 -1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.934 -0.663 -2.736 1.00 0.00 H new ATOM 217 N LEU A 17 8.740 1.715 -2.267 1.00 0.00 N ATOM 218 CA LEU A 17 8.119 2.674 -3.164 1.00 0.00 C ATOM 219 C LEU A 17 8.444 4.093 -2.692 1.00 0.00 C ATOM 220 O LEU A 17 8.963 4.902 -3.458 1.00 0.00 O ATOM 221 CB LEU A 17 6.619 2.397 -3.289 1.00 0.00 C ATOM 222 CG LEU A 17 6.088 2.209 -4.712 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.941 0.725 -5.051 1.00 0.00 C ATOM 224 CD2 LEU A 17 4.781 2.977 -4.915 1.00 0.00 C ATOM 0 H LEU A 17 8.087 1.096 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 17 8.525 2.571 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.386 1.501 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.077 3.222 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 17 6.817 2.626 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.562 0.620 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.912 0.236 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.244 0.260 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.425 2.827 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.032 2.613 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.953 4.040 -4.744 1.00 0.00 H new ATOM 236 N THR A 18 8.124 4.350 -1.432 1.00 0.00 N ATOM 237 CA THR A 18 8.376 5.657 -0.848 1.00 0.00 C ATOM 238 C THR A 18 9.878 5.871 -0.648 1.00 0.00 C ATOM 239 O THR A 18 10.357 7.003 -0.678 1.00 0.00 O ATOM 240 CB THR A 18 7.569 5.759 0.447 1.00 0.00 C ATOM 241 OG1 THR A 18 8.267 4.914 1.358 1.00 0.00 O ATOM 242 CG2 THR A 18 6.185 5.119 0.328 1.00 0.00 C ATOM 0 H THR A 18 7.693 3.676 -0.800 1.00 0.00 H new ATOM 0 HA THR A 18 8.052 6.457 -1.513 1.00 0.00 H new ATOM 0 HB THR A 18 7.460 6.807 0.725 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.812 4.922 2.226 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.655 5.220 1.275 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.620 5.618 -0.459 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.293 4.062 0.083 1.00 0.00 H new ATOM 250 N GLY A 19 10.579 4.765 -0.447 1.00 0.00 N ATOM 251 CA GLY A 19 12.016 4.818 -0.242 1.00 0.00 C ATOM 252 C GLY A 19 12.351 5.241 1.190 1.00 0.00 C ATOM 253 O GLY A 19 13.489 5.603 1.485 1.00 0.00 O ATOM 0 H GLY A 19 10.179 3.827 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.452 3.841 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.462 5.521 -0.946 1.00 0.00 H new ATOM 257 N SER A 20 11.338 5.180 2.043 1.00 0.00 N ATOM 258 CA SER A 20 11.510 5.554 3.437 1.00 0.00 C ATOM 259 C SER A 20 11.164 4.369 4.342 1.00 0.00 C ATOM 260 O SER A 20 10.274 3.580 4.024 1.00 0.00 O ATOM 261 CB SER A 20 10.645 6.764 3.793 1.00 0.00 C ATOM 262 OG SER A 20 11.320 7.995 3.543 1.00 0.00 O ATOM 0 H SER A 20 10.396 4.877 1.796 1.00 0.00 H new ATOM 0 HA SER A 20 12.553 5.829 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.722 6.733 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.364 6.712 4.845 1.00 0.00 H new ATOM 0 HG SER A 20 10.734 8.744 3.781 1.00 0.00 H new ATOM 268 N ASP A 21 11.885 4.282 5.450 1.00 0.00 N ATOM 269 CA ASP A 21 11.665 3.207 6.403 1.00 0.00 C ATOM 270 C ASP A 21 10.728 3.696 7.509 1.00 0.00 C ATOM 271 O ASP A 21 10.685 3.116 8.592 1.00 0.00 O ATOM 272 CB ASP A 21 12.979 2.773 7.055 1.00 0.00 C ATOM 273 CG ASP A 21 14.157 3.722 6.831 1.00 0.00 C ATOM 274 OD1 ASP A 21 14.689 3.710 5.698 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.502 4.438 7.795 1.00 0.00 O ATOM 0 H ASP A 21 12.622 4.938 5.709 1.00 0.00 H new ATOM 0 HA ASP A 21 11.232 2.363 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.817 2.666 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.248 1.788 6.674 1.00 0.00 H new ATOM 280 N ASP A 22 9.999 4.757 7.197 1.00 0.00 N ATOM 281 CA ASP A 22 9.064 5.330 8.150 1.00 0.00 C ATOM 282 C ASP A 22 7.761 4.529 8.126 1.00 0.00 C ATOM 283 O ASP A 22 7.108 4.367 9.155 1.00 0.00 O ATOM 284 CB ASP A 22 8.734 6.781 7.794 1.00 0.00 C ATOM 285 CG ASP A 22 9.111 7.811 8.861 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.461 7.786 9.929 1.00 0.00 O ATOM 287 OD2 ASP A 22 10.039 8.600 8.585 1.00 0.00 O ATOM 0 H ASP A 22 10.037 5.235 6.297 1.00 0.00 H new ATOM 0 HA ASP A 22 9.526 5.297 9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.246 7.037 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.664 6.857 7.599 1.00 0.00 H new ATOM 292 N VAL A 23 7.422 4.049 6.938 1.00 0.00 N ATOM 293 CA VAL A 23 6.208 3.268 6.766 1.00 0.00 C ATOM 294 C VAL A 23 6.443 1.849 7.286 1.00 0.00 C ATOM 295 O VAL A 23 5.546 1.242 7.871 1.00 0.00 O ATOM 296 CB VAL A 23 5.767 3.304 5.302 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.822 2.666 4.395 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.407 2.625 5.123 1.00 0.00 C ATOM 0 H VAL A 23 7.966 4.186 6.086 1.00 0.00 H new ATOM 0 HA VAL A 23 5.391 3.696 7.348 1.00 0.00 H new ATOM 0 HB VAL A 23 5.662 4.349 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.483 2.705 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.761 3.211 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.974 1.627 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.116 2.664 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.475 1.585 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.660 3.142 5.726 1.00 0.00 H new ATOM 308 N LYS A 24 7.652 1.359 7.053 1.00 0.00 N ATOM 309 CA LYS A 24 8.014 0.022 7.490 1.00 0.00 C ATOM 310 C LYS A 24 7.685 -0.131 8.976 1.00 0.00 C ATOM 311 O LYS A 24 7.520 -1.247 9.467 1.00 0.00 O ATOM 312 CB LYS A 24 9.476 -0.275 7.150 1.00 0.00 C ATOM 313 CG LYS A 24 9.833 -1.725 7.481 1.00 0.00 C ATOM 314 CD LYS A 24 11.016 -1.790 8.450 1.00 0.00 C ATOM 315 CE LYS A 24 12.272 -2.313 7.749 1.00 0.00 C ATOM 316 NZ LYS A 24 13.088 -3.121 8.683 1.00 0.00 N ATOM 0 H LYS A 24 8.393 1.864 6.567 1.00 0.00 H new ATOM 0 HA LYS A 24 7.428 -0.725 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.652 -0.086 6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.127 0.399 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.970 -2.225 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.079 -2.261 6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.210 -0.799 8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.767 -2.439 9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.990 -2.917 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.861 -1.476 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.936 -3.468 8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.373 -2.534 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.529 -3.930 9.022 1.00 0.00 H new ATOM 330 N LYS A 25 7.602 1.006 9.651 1.00 0.00 N ATOM 331 CA LYS A 25 7.296 1.013 11.072 1.00 0.00 C ATOM 332 C LYS A 25 5.857 1.491 11.277 1.00 0.00 C ATOM 333 O LYS A 25 4.970 0.691 11.572 1.00 0.00 O ATOM 334 CB LYS A 25 8.333 1.835 11.839 1.00 0.00 C ATOM 335 CG LYS A 25 8.098 1.744 13.348 1.00 0.00 C ATOM 336 CD LYS A 25 7.321 2.960 13.856 1.00 0.00 C ATOM 337 CE LYS A 25 8.024 3.597 15.057 1.00 0.00 C ATOM 338 NZ LYS A 25 8.655 4.878 14.670 1.00 0.00 N ATOM 0 H LYS A 25 7.741 1.929 9.240 1.00 0.00 H new ATOM 0 HA LYS A 25 7.358 0.004 11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.335 1.477 11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.283 2.877 11.522 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.546 0.833 13.579 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.055 1.677 13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.223 3.694 13.056 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.312 2.660 14.138 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.305 3.767 15.858 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.780 2.916 15.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.127 5.296 15.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.356 4.707 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.926 5.532 14.320 1.00 0.00 H new ATOM 352 N ASN A 26 5.670 2.792 11.113 1.00 0.00 N ATOM 353 CA ASN A 26 4.355 3.385 11.277 1.00 0.00 C ATOM 354 C ASN A 26 3.347 2.628 10.409 1.00 0.00 C ATOM 355 O ASN A 26 3.626 2.323 9.251 1.00 0.00 O ATOM 356 CB ASN A 26 4.353 4.851 10.836 1.00 0.00 C ATOM 357 CG ASN A 26 4.238 5.786 12.040 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.073 5.799 12.930 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.160 6.565 12.021 1.00 0.00 N ATOM 0 H ASN A 26 6.408 3.452 10.868 1.00 0.00 H new ATOM 0 HA ASN A 26 4.087 3.326 12.332 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.269 5.070 10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.522 5.028 10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.993 7.224 12.782 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.500 6.504 11.246 1.00 0.00 H new ATOM 366 N LEU A 27 2.196 2.349 11.002 1.00 0.00 N ATOM 367 CA LEU A 27 1.145 1.634 10.297 1.00 0.00 C ATOM 368 C LEU A 27 0.009 2.603 9.965 1.00 0.00 C ATOM 369 O LEU A 27 -1.158 2.214 9.943 1.00 0.00 O ATOM 370 CB LEU A 27 0.695 0.413 11.103 1.00 0.00 C ATOM 371 CG LEU A 27 1.717 -0.718 11.231 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.661 -1.352 12.623 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.531 -1.754 10.121 1.00 0.00 C ATOM 0 H LEU A 27 1.968 2.605 11.963 1.00 0.00 H new ATOM 0 HA LEU A 27 1.519 1.244 9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.421 0.744 12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.207 0.011 10.643 1.00 0.00 H new ATOM 0 HG LEU A 27 2.714 -0.293 11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.397 -2.153 12.688 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.881 -0.596 13.376 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.665 -1.759 12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.270 -2.547 10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.530 -2.180 10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.661 -1.275 9.151 1.00 0.00 H new ATOM 385 N ASP A 28 0.390 3.848 9.714 1.00 0.00 N ATOM 386 CA ASP A 28 -0.582 4.876 9.384 1.00 0.00 C ATOM 387 C ASP A 28 0.140 6.078 8.772 1.00 0.00 C ATOM 388 O ASP A 28 -0.302 7.216 8.922 1.00 0.00 O ATOM 389 CB ASP A 28 -1.322 5.356 10.634 1.00 0.00 C ATOM 390 CG ASP A 28 -2.845 5.209 10.580 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.315 4.079 10.835 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.504 6.229 10.287 1.00 0.00 O ATOM 0 H ASP A 28 1.359 4.167 9.733 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.298 4.449 8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.949 4.801 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.079 6.405 10.801 1.00 0.00 H new ATOM 397 N LEU A 29 1.242 5.783 8.096 1.00 0.00 N ATOM 398 CA LEU A 29 2.030 6.826 7.460 1.00 0.00 C ATOM 399 C LEU A 29 1.400 7.186 6.113 1.00 0.00 C ATOM 400 O LEU A 29 1.672 6.537 5.104 1.00 0.00 O ATOM 401 CB LEU A 29 3.496 6.403 7.360 1.00 0.00 C ATOM 402 CG LEU A 29 4.453 7.432 6.756 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.847 8.488 7.790 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.675 6.750 6.138 1.00 0.00 C ATOM 0 H LEU A 29 1.607 4.838 7.975 1.00 0.00 H new ATOM 0 HA LEU A 29 2.024 7.732 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.849 6.151 8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.550 5.492 6.764 1.00 0.00 H new ATOM 0 HG LEU A 29 3.933 7.949 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.528 9.207 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.954 9.005 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.341 8.005 8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.338 7.505 5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.206 6.189 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.352 6.069 5.350 1.00 0.00 H new ATOM 416 N ASN A 30 0.571 8.219 6.141 1.00 0.00 N ATOM 417 CA ASN A 30 -0.098 8.673 4.934 1.00 0.00 C ATOM 418 C ASN A 30 0.869 8.579 3.752 1.00 0.00 C ATOM 419 O ASN A 30 1.930 9.200 3.763 1.00 0.00 O ATOM 420 CB ASN A 30 -0.543 10.131 5.066 1.00 0.00 C ATOM 421 CG ASN A 30 -2.067 10.237 5.128 1.00 0.00 C ATOM 422 OD1 ASN A 30 -2.712 10.810 4.266 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.607 9.651 6.194 1.00 0.00 N ATOM 0 H ASN A 30 0.347 8.754 6.980 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.972 8.042 4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.108 10.567 5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.169 10.707 4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.618 9.665 6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.010 9.188 6.879 1.00 0.00 H new ATOM 430 N LEU A 31 0.468 7.796 2.761 1.00 0.00 N ATOM 431 CA LEU A 31 1.285 7.613 1.574 1.00 0.00 C ATOM 432 C LEU A 31 0.905 8.663 0.530 1.00 0.00 C ATOM 433 O LEU A 31 1.352 8.597 -0.614 1.00 0.00 O ATOM 434 CB LEU A 31 1.178 6.173 1.067 1.00 0.00 C ATOM 435 CG LEU A 31 1.502 5.077 2.084 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.965 3.722 1.620 1.00 0.00 C ATOM 437 CD2 LEU A 31 3.004 5.028 2.377 1.00 0.00 C ATOM 0 H LEU A 31 -0.412 7.281 2.756 1.00 0.00 H new ATOM 0 HA LEU A 31 2.338 7.766 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.164 6.012 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.847 6.059 0.214 1.00 0.00 H new ATOM 0 HG LEU A 31 0.998 5.320 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.209 2.961 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.117 3.780 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.420 3.458 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.208 4.241 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.548 4.821 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.327 5.987 2.782 1.00 0.00 H new ATOM 449 N PHE A 32 0.082 9.609 0.961 1.00 0.00 N ATOM 450 CA PHE A 32 -0.363 10.672 0.076 1.00 0.00 C ATOM 451 C PHE A 32 -0.145 12.045 0.716 1.00 0.00 C ATOM 452 O PHE A 32 0.474 12.921 0.115 1.00 0.00 O ATOM 453 CB PHE A 32 -1.862 10.463 -0.154 1.00 0.00 C ATOM 454 CG PHE A 32 -2.193 9.716 -1.448 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.743 8.447 -1.636 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.940 10.322 -2.410 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.051 7.754 -2.837 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.248 9.629 -3.611 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.797 8.360 -3.799 1.00 0.00 C ATOM 0 H PHE A 32 -0.288 9.661 1.910 1.00 0.00 H new ATOM 0 HA PHE A 32 0.201 10.641 -0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.275 9.910 0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.356 11.435 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.151 7.966 -0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.299 11.330 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.693 6.746 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.841 10.110 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.031 7.833 -4.712 1.00 0.00 H new ATOM 469 N GLU A 33 -0.666 12.188 1.926 1.00 0.00 N ATOM 470 CA GLU A 33 -0.536 13.439 2.653 1.00 0.00 C ATOM 471 C GLU A 33 0.923 13.671 3.052 1.00 0.00 C ATOM 472 O GLU A 33 1.292 14.773 3.455 1.00 0.00 O ATOM 473 CB GLU A 33 -1.450 13.458 3.880 1.00 0.00 C ATOM 474 CG GLU A 33 -1.824 14.891 4.264 1.00 0.00 C ATOM 475 CD GLU A 33 -2.613 14.920 5.574 1.00 0.00 C ATOM 476 OE1 GLU A 33 -3.828 14.634 5.512 1.00 0.00 O ATOM 477 OE2 GLU A 33 -1.981 15.225 6.609 1.00 0.00 O ATOM 0 H GLU A 33 -1.179 11.458 2.421 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.847 14.252 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.354 12.886 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.950 12.972 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.920 15.491 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.417 15.341 3.468 1.00 0.00 H new ATOM 484 N THR A 34 1.713 12.615 2.927 1.00 0.00 N ATOM 485 CA THR A 34 3.123 12.691 3.269 1.00 0.00 C ATOM 486 C THR A 34 3.950 13.080 2.042 1.00 0.00 C ATOM 487 O THR A 34 5.093 13.514 2.171 1.00 0.00 O ATOM 488 CB THR A 34 3.534 11.349 3.877 1.00 0.00 C ATOM 489 OG1 THR A 34 2.615 11.156 4.949 1.00 0.00 O ATOM 490 CG2 THR A 34 4.899 11.410 4.564 1.00 0.00 C ATOM 0 H THR A 34 1.403 11.702 2.594 1.00 0.00 H new ATOM 0 HA THR A 34 3.309 13.471 4.008 1.00 0.00 H new ATOM 0 HB THR A 34 3.554 10.589 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.170 10.289 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.142 10.431 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.660 11.696 3.837 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.870 12.147 5.367 1.00 0.00 H new ATOM 498 N GLY A 35 3.338 12.912 0.878 1.00 0.00 N ATOM 499 CA GLY A 35 4.004 13.241 -0.371 1.00 0.00 C ATOM 500 C GLY A 35 4.840 12.063 -0.873 1.00 0.00 C ATOM 501 O GLY A 35 5.530 12.173 -1.886 1.00 0.00 O ATOM 0 H GLY A 35 2.389 12.553 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.262 13.512 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.645 14.111 -0.228 1.00 0.00 H new ATOM 505 N LEU A 36 4.753 10.962 -0.141 1.00 0.00 N ATOM 506 CA LEU A 36 5.494 9.764 -0.499 1.00 0.00 C ATOM 507 C LEU A 36 4.972 9.227 -1.834 1.00 0.00 C ATOM 508 O LEU A 36 5.755 8.877 -2.716 1.00 0.00 O ATOM 509 CB LEU A 36 5.442 8.742 0.637 1.00 0.00 C ATOM 510 CG LEU A 36 6.228 9.102 1.899 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.794 8.233 3.082 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.734 9.020 1.650 1.00 0.00 C ATOM 0 H LEU A 36 4.181 10.874 0.699 1.00 0.00 H new ATOM 0 HA LEU A 36 6.550 9.997 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.399 8.589 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.815 7.790 0.260 1.00 0.00 H new ATOM 0 HG LEU A 36 6.001 10.136 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.368 8.509 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.732 8.386 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.972 7.184 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.269 9.281 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.999 8.006 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.010 9.715 0.857 1.00 0.00 H new ATOM 524 N LEU A 37 3.652 9.180 -1.941 1.00 0.00 N ATOM 525 CA LEU A 37 3.017 8.692 -3.153 1.00 0.00 C ATOM 526 C LEU A 37 2.129 9.793 -3.737 1.00 0.00 C ATOM 527 O LEU A 37 1.935 10.835 -3.113 1.00 0.00 O ATOM 528 CB LEU A 37 2.274 7.383 -2.880 1.00 0.00 C ATOM 529 CG LEU A 37 2.320 6.339 -3.997 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.805 4.989 -3.466 1.00 0.00 C ATOM 531 CD2 LEU A 37 0.964 6.227 -4.697 1.00 0.00 C ATOM 0 H LEU A 37 3.005 9.472 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 37 3.768 8.454 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.687 6.936 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.230 7.618 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 37 3.042 6.668 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.828 4.265 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.806 5.100 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.126 4.639 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.023 5.478 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.204 5.932 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.697 7.191 -5.130 1.00 0.00 H new ATOM 543 N ASP A 38 1.612 9.523 -4.927 1.00 0.00 N ATOM 544 CA ASP A 38 0.749 10.477 -5.602 1.00 0.00 C ATOM 545 C ASP A 38 -0.413 9.731 -6.260 1.00 0.00 C ATOM 546 O ASP A 38 -1.576 10.029 -5.996 1.00 0.00 O ATOM 547 CB ASP A 38 1.509 11.229 -6.697 1.00 0.00 C ATOM 548 CG ASP A 38 1.329 12.749 -6.681 1.00 0.00 C ATOM 549 OD1 ASP A 38 0.350 13.198 -6.049 1.00 0.00 O ATOM 550 OD2 ASP A 38 2.177 13.426 -7.302 1.00 0.00 O ATOM 0 H ASP A 38 1.774 8.657 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 38 0.388 11.189 -4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.571 11.003 -6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.188 10.850 -7.667 1.00 0.00 H new ATOM 555 N SER A 39 -0.057 8.775 -7.105 1.00 0.00 N ATOM 556 CA SER A 39 -1.055 7.982 -7.804 1.00 0.00 C ATOM 557 C SER A 39 -0.372 6.905 -8.647 1.00 0.00 C ATOM 558 O SER A 39 -0.633 5.715 -8.472 1.00 0.00 O ATOM 559 CB SER A 39 -1.940 8.866 -8.685 1.00 0.00 C ATOM 560 OG SER A 39 -2.694 8.100 -9.621 1.00 0.00 O ATOM 0 H SER A 39 0.909 8.531 -7.322 1.00 0.00 H new ATOM 0 HA SER A 39 -1.692 7.501 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.619 9.441 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.318 9.583 -9.221 1.00 0.00 H new ATOM 0 HG SER A 39 -3.247 8.699 -10.164 1.00 0.00 H new ATOM 566 N MET A 40 0.489 7.360 -9.546 1.00 0.00 N ATOM 567 CA MET A 40 1.211 6.449 -10.418 1.00 0.00 C ATOM 568 C MET A 40 1.822 5.296 -9.621 1.00 0.00 C ATOM 569 O MET A 40 1.985 4.193 -10.142 1.00 0.00 O ATOM 570 CB MET A 40 2.321 7.212 -11.144 1.00 0.00 C ATOM 571 CG MET A 40 2.111 7.173 -12.660 1.00 0.00 C ATOM 572 SD MET A 40 0.800 8.294 -13.123 1.00 0.00 S ATOM 573 CE MET A 40 -0.474 7.120 -13.553 1.00 0.00 C ATOM 0 H MET A 40 0.703 8.347 -9.689 1.00 0.00 H new ATOM 0 HA MET A 40 0.509 6.034 -11.141 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.340 8.247 -10.802 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.289 6.777 -10.896 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.034 7.449 -13.171 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.863 6.160 -12.975 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.169 7.578 -14.257 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.020 6.242 -14.012 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.013 6.822 -12.654 1.00 0.00 H new ATOM 583 N GLY A 41 2.144 5.587 -8.369 1.00 0.00 N ATOM 584 CA GLY A 41 2.733 4.588 -7.494 1.00 0.00 C ATOM 585 C GLY A 41 1.782 3.405 -7.295 1.00 0.00 C ATOM 586 O GLY A 41 2.175 2.253 -7.472 1.00 0.00 O ATOM 0 H GLY A 41 2.008 6.502 -7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.673 4.236 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.967 5.037 -6.529 1.00 0.00 H new ATOM 590 N THR A 42 0.552 3.732 -6.930 1.00 0.00 N ATOM 591 CA THR A 42 -0.457 2.711 -6.704 1.00 0.00 C ATOM 592 C THR A 42 -0.436 1.681 -7.835 1.00 0.00 C ATOM 593 O THR A 42 -0.506 0.478 -7.585 1.00 0.00 O ATOM 594 CB THR A 42 -1.809 3.410 -6.544 1.00 0.00 C ATOM 595 OG1 THR A 42 -2.525 2.577 -5.636 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.645 3.368 -7.825 1.00 0.00 C ATOM 0 H THR A 42 0.231 4.689 -6.785 1.00 0.00 H new ATOM 0 HA THR A 42 -0.255 2.150 -5.792 1.00 0.00 H new ATOM 0 HB THR A 42 -1.649 4.447 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.473 2.824 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.594 3.878 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.103 3.865 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.834 2.331 -8.102 1.00 0.00 H new ATOM 604 N VAL A 43 -0.337 2.189 -9.054 1.00 0.00 N ATOM 605 CA VAL A 43 -0.305 1.329 -10.223 1.00 0.00 C ATOM 606 C VAL A 43 0.760 0.248 -10.028 1.00 0.00 C ATOM 607 O VAL A 43 0.560 -0.904 -10.412 1.00 0.00 O ATOM 608 CB VAL A 43 -0.082 2.166 -11.484 1.00 0.00 C ATOM 609 CG1 VAL A 43 0.186 1.272 -12.697 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.268 3.098 -11.740 1.00 0.00 C ATOM 0 H VAL A 43 -0.278 3.187 -9.257 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.262 0.823 -10.350 1.00 0.00 H new ATOM 0 HB VAL A 43 0.801 2.784 -11.323 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.341 1.893 -13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.077 0.670 -12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.668 0.615 -12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.084 3.682 -12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.174 2.506 -11.869 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.392 3.771 -10.891 1.00 0.00 H new ATOM 620 N GLN A 44 1.869 0.658 -9.430 1.00 0.00 N ATOM 621 CA GLN A 44 2.967 -0.261 -9.178 1.00 0.00 C ATOM 622 C GLN A 44 2.533 -1.347 -8.191 1.00 0.00 C ATOM 623 O GLN A 44 2.360 -2.504 -8.573 1.00 0.00 O ATOM 624 CB GLN A 44 4.199 0.486 -8.665 1.00 0.00 C ATOM 625 CG GLN A 44 5.358 -0.481 -8.408 1.00 0.00 C ATOM 626 CD GLN A 44 6.683 0.114 -8.889 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.732 1.149 -9.532 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.753 -0.597 -8.543 1.00 0.00 N ATOM 0 H GLN A 44 2.031 1.614 -9.113 1.00 0.00 H new ATOM 0 HA GLN A 44 3.239 -0.740 -10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.502 1.238 -9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.951 1.015 -7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.421 -0.705 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.171 -1.424 -8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.642 -1.456 -8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.684 -0.284 -8.817 1.00 0.00 H new ATOM 637 N LEU A 45 2.372 -0.937 -6.942 1.00 0.00 N ATOM 638 CA LEU A 45 1.961 -1.861 -5.898 1.00 0.00 C ATOM 639 C LEU A 45 0.868 -2.784 -6.439 1.00 0.00 C ATOM 640 O LEU A 45 0.941 -4.001 -6.277 1.00 0.00 O ATOM 641 CB LEU A 45 1.553 -1.098 -4.636 1.00 0.00 C ATOM 642 CG LEU A 45 1.166 0.369 -4.836 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.032 0.770 -3.892 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.385 1.282 -4.688 1.00 0.00 C ATOM 0 H LEU A 45 2.519 0.023 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 45 2.796 -2.496 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.711 -1.616 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.379 -1.142 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 45 0.795 0.489 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.224 1.817 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.842 0.148 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.352 0.631 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.083 2.319 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.808 1.165 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.134 1.013 -5.433 1.00 0.00 H new ATOM 656 N LEU A 46 -0.119 -2.169 -7.073 1.00 0.00 N ATOM 657 CA LEU A 46 -1.227 -2.920 -7.640 1.00 0.00 C ATOM 658 C LEU A 46 -0.677 -4.076 -8.478 1.00 0.00 C ATOM 659 O LEU A 46 -1.166 -5.202 -8.385 1.00 0.00 O ATOM 660 CB LEU A 46 -2.164 -1.991 -8.413 1.00 0.00 C ATOM 661 CG LEU A 46 -3.479 -1.633 -7.717 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.402 -0.853 -8.655 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.158 -2.882 -7.153 1.00 0.00 C ATOM 0 H LEU A 46 -0.175 -1.159 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.834 -3.360 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.628 -1.067 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.398 -2.458 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.252 -0.981 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.329 -0.611 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.910 0.068 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.626 -1.459 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.090 -2.600 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.370 -3.578 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.498 -3.359 -6.429 1.00 0.00 H new ATOM 675 N LEU A 47 0.330 -3.758 -9.277 1.00 0.00 N ATOM 676 CA LEU A 47 0.951 -4.757 -10.131 1.00 0.00 C ATOM 677 C LEU A 47 1.730 -5.749 -9.265 1.00 0.00 C ATOM 678 O LEU A 47 1.956 -6.888 -9.671 1.00 0.00 O ATOM 679 CB LEU A 47 1.800 -4.084 -11.211 1.00 0.00 C ATOM 680 CG LEU A 47 1.653 -4.646 -12.627 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.019 -6.131 -12.667 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.250 -4.386 -13.178 1.00 0.00 C ATOM 0 H LEU A 47 0.732 -2.823 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 47 0.191 -5.328 -10.665 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.549 -3.024 -11.234 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.848 -4.157 -10.919 1.00 0.00 H new ATOM 0 HG LEU A 47 2.355 -4.123 -13.277 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.906 -6.506 -13.684 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.052 -6.260 -12.345 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.359 -6.686 -12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.173 -4.796 -14.185 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.488 -4.864 -12.534 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.064 -3.312 -13.208 1.00 0.00 H new ATOM 694 N GLU A 48 2.120 -5.280 -8.089 1.00 0.00 N ATOM 695 CA GLU A 48 2.870 -6.111 -7.163 1.00 0.00 C ATOM 696 C GLU A 48 1.916 -6.856 -6.227 1.00 0.00 C ATOM 697 O GLU A 48 2.321 -7.787 -5.534 1.00 0.00 O ATOM 698 CB GLU A 48 3.878 -5.278 -6.369 1.00 0.00 C ATOM 699 CG GLU A 48 5.214 -6.011 -6.239 1.00 0.00 C ATOM 700 CD GLU A 48 5.785 -6.360 -7.614 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.033 -5.406 -8.384 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.962 -7.571 -7.865 1.00 0.00 O ATOM 0 H GLU A 48 1.931 -4.335 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 48 3.432 -6.846 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.032 -4.319 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.478 -5.065 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.923 -5.388 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.078 -6.922 -5.656 1.00 0.00 H new ATOM 709 N LEU A 49 0.665 -6.416 -6.236 1.00 0.00 N ATOM 710 CA LEU A 49 -0.350 -7.029 -5.397 1.00 0.00 C ATOM 711 C LEU A 49 -1.181 -8.001 -6.236 1.00 0.00 C ATOM 712 O LEU A 49 -1.925 -8.816 -5.694 1.00 0.00 O ATOM 713 CB LEU A 49 -1.183 -5.956 -4.693 1.00 0.00 C ATOM 714 CG LEU A 49 -0.525 -5.280 -3.488 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.541 -4.444 -2.706 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.179 -6.307 -2.600 1.00 0.00 C ATOM 0 H LEU A 49 0.332 -5.642 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 49 0.115 -7.612 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.439 -5.187 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.119 -6.408 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 49 0.240 -4.595 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.048 -3.974 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.955 -3.673 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.345 -5.088 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.638 -5.800 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.548 -7.034 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.949 -6.819 -3.177 1.00 0.00 H new ATOM 728 N GLN A 50 -1.027 -7.882 -7.547 1.00 0.00 N ATOM 729 CA GLN A 50 -1.754 -8.740 -8.468 1.00 0.00 C ATOM 730 C GLN A 50 -0.834 -9.833 -9.014 1.00 0.00 C ATOM 731 O GLN A 50 -1.136 -10.451 -10.033 1.00 0.00 O ATOM 732 CB GLN A 50 -2.372 -7.924 -9.605 1.00 0.00 C ATOM 733 CG GLN A 50 -3.224 -8.811 -10.515 1.00 0.00 C ATOM 734 CD GLN A 50 -4.399 -8.025 -11.102 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.518 -6.822 -10.939 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.258 -8.771 -11.791 1.00 0.00 N ATOM 0 H GLN A 50 -0.409 -7.204 -7.993 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.569 -9.217 -7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.987 -7.124 -9.191 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.583 -7.450 -10.188 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.608 -9.208 -11.322 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.599 -9.665 -9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.098 -9.774 -11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.076 -8.340 -12.222 1.00 0.00 H new ATOM 745 N SER A 51 0.269 -10.039 -8.309 1.00 0.00 N ATOM 746 CA SER A 51 1.235 -11.049 -8.711 1.00 0.00 C ATOM 747 C SER A 51 1.630 -11.904 -7.505 1.00 0.00 C ATOM 748 O SER A 51 1.439 -13.119 -7.512 1.00 0.00 O ATOM 749 CB SER A 51 2.475 -10.406 -9.335 1.00 0.00 C ATOM 750 OG SER A 51 2.700 -10.863 -10.666 1.00 0.00 O ATOM 0 H SER A 51 0.515 -9.525 -7.463 1.00 0.00 H new ATOM 0 HA SER A 51 0.771 -11.686 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.359 -9.322 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.348 -10.631 -8.722 1.00 0.00 H new ATOM 0 HG SER A 51 3.499 -10.428 -11.030 1.00 0.00 H new ATOM 756 N GLN A 52 2.172 -11.236 -6.498 1.00 0.00 N ATOM 757 CA GLN A 52 2.595 -11.919 -5.288 1.00 0.00 C ATOM 758 C GLN A 52 1.382 -12.273 -4.426 1.00 0.00 C ATOM 759 O GLN A 52 1.449 -13.176 -3.594 1.00 0.00 O ATOM 760 CB GLN A 52 3.599 -11.073 -4.502 1.00 0.00 C ATOM 761 CG GLN A 52 4.886 -10.864 -5.304 1.00 0.00 C ATOM 762 CD GLN A 52 5.842 -12.044 -5.124 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.579 -13.159 -5.546 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.964 -11.739 -4.477 1.00 0.00 N ATOM 0 H GLN A 52 2.328 -10.228 -6.495 1.00 0.00 H new ATOM 0 HA GLN A 52 3.095 -12.844 -5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.156 -10.107 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.831 -11.563 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.645 -10.745 -6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.374 -9.944 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.121 -10.786 -4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.667 -12.459 -4.308 1.00 0.00 H new ATOM 773 N PHE A 53 0.301 -11.541 -4.654 1.00 0.00 N ATOM 774 CA PHE A 53 -0.925 -11.765 -3.908 1.00 0.00 C ATOM 775 C PHE A 53 -2.093 -12.064 -4.850 1.00 0.00 C ATOM 776 O PHE A 53 -2.964 -12.872 -4.528 1.00 0.00 O ATOM 777 CB PHE A 53 -1.224 -10.476 -3.139 1.00 0.00 C ATOM 778 CG PHE A 53 0.000 -9.861 -2.458 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.010 -9.346 -3.210 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.079 -9.828 -1.101 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.146 -8.775 -2.578 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.214 -9.256 -0.468 1.00 0.00 C ATOM 783 CZ PHE A 53 2.224 -8.741 -1.221 1.00 0.00 C ATOM 0 H PHE A 53 0.249 -10.792 -5.345 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.803 -12.618 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.650 -9.745 -3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.982 -10.683 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.948 -9.371 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.722 -10.237 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.948 -8.368 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.276 -9.230 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.088 -8.305 -0.741 1.00 0.00 H new ATOM 793 N GLY A 54 -2.074 -11.399 -5.996 1.00 0.00 N ATOM 794 CA GLY A 54 -3.120 -11.584 -6.987 1.00 0.00 C ATOM 795 C GLY A 54 -4.389 -10.827 -6.592 1.00 0.00 C ATOM 796 O GLY A 54 -5.490 -11.370 -6.671 1.00 0.00 O ATOM 0 H GLY A 54 -1.350 -10.731 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.771 -11.234 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.343 -12.646 -7.092 1.00 0.00 H new ATOM 800 N VAL A 55 -4.194 -9.585 -6.174 1.00 0.00 N ATOM 801 CA VAL A 55 -5.309 -8.748 -5.767 1.00 0.00 C ATOM 802 C VAL A 55 -5.837 -7.982 -6.981 1.00 0.00 C ATOM 803 O VAL A 55 -5.189 -7.946 -8.026 1.00 0.00 O ATOM 804 CB VAL A 55 -4.882 -7.830 -4.619 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.392 -6.481 -5.150 1.00 0.00 C ATOM 806 CG2 VAL A 55 -6.021 -7.642 -3.615 1.00 0.00 C ATOM 0 H VAL A 55 -3.279 -9.138 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.128 -9.360 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.052 -8.308 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.095 -5.847 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.538 -6.638 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.194 -5.996 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.691 -6.986 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.879 -7.196 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.305 -8.610 -3.201 1.00 0.00 H new ATOM 816 N ASP A 56 -7.007 -7.388 -6.803 1.00 0.00 N ATOM 817 CA ASP A 56 -7.630 -6.625 -7.871 1.00 0.00 C ATOM 818 C ASP A 56 -8.215 -5.333 -7.296 1.00 0.00 C ATOM 819 O ASP A 56 -8.942 -5.364 -6.305 1.00 0.00 O ATOM 820 CB ASP A 56 -8.770 -7.412 -8.519 1.00 0.00 C ATOM 821 CG ASP A 56 -9.283 -6.838 -9.842 1.00 0.00 C ATOM 822 OD1 ASP A 56 -8.551 -6.981 -10.844 1.00 0.00 O ATOM 823 OD2 ASP A 56 -10.396 -6.269 -9.820 1.00 0.00 O ATOM 0 H ASP A 56 -7.541 -7.420 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.868 -6.412 -8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.434 -8.435 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.601 -7.463 -7.816 1.00 0.00 H new ATOM 828 N ALA A 57 -7.874 -4.228 -7.942 1.00 0.00 N ATOM 829 CA ALA A 57 -8.356 -2.927 -7.507 1.00 0.00 C ATOM 830 C ALA A 57 -8.412 -1.981 -8.708 1.00 0.00 C ATOM 831 O ALA A 57 -7.410 -1.777 -9.390 1.00 0.00 O ATOM 832 CB ALA A 57 -7.456 -2.398 -6.388 1.00 0.00 C ATOM 0 H ALA A 57 -7.270 -4.206 -8.763 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.365 -3.006 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.817 -1.423 -6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.474 -3.092 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.435 -2.302 -6.757 1.00 0.00 H new ATOM 838 N PRO A 58 -9.627 -1.414 -8.935 1.00 0.00 N ATOM 839 CA PRO A 58 -9.828 -0.494 -10.043 1.00 0.00 C ATOM 840 C PRO A 58 -9.209 0.871 -9.739 1.00 0.00 C ATOM 841 O PRO A 58 -9.696 1.599 -8.876 1.00 0.00 O ATOM 842 CB PRO A 58 -11.335 -0.434 -10.235 1.00 0.00 C ATOM 843 CG PRO A 58 -11.942 -0.952 -8.941 1.00 0.00 C ATOM 844 CD PRO A 58 -10.838 -1.633 -8.149 1.00 0.00 C ATOM 0 HA PRO A 58 -9.336 -0.822 -10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.662 0.585 -10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.645 -1.044 -11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.374 -0.132 -8.367 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.749 -1.654 -9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.745 -1.205 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.040 -2.696 -8.022 1.00 0.00 H new ATOM 852 N VAL A 59 -8.144 1.177 -10.466 1.00 0.00 N ATOM 853 CA VAL A 59 -7.454 2.443 -10.286 1.00 0.00 C ATOM 854 C VAL A 59 -8.326 3.577 -10.828 1.00 0.00 C ATOM 855 O VAL A 59 -7.998 4.750 -10.662 1.00 0.00 O ATOM 856 CB VAL A 59 -6.073 2.383 -10.944 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.245 3.621 -10.591 1.00 0.00 C ATOM 858 CG2 VAL A 59 -5.336 1.100 -10.557 1.00 0.00 C ATOM 0 H VAL A 59 -7.742 0.570 -11.181 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.287 2.640 -9.227 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.216 2.372 -12.025 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.268 3.554 -11.070 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.761 4.515 -10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.115 3.676 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.358 1.083 -11.038 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.209 1.066 -9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.915 0.236 -10.882 1.00 0.00 H new ATOM 868 N SER A 60 -9.420 3.187 -11.465 1.00 0.00 N ATOM 869 CA SER A 60 -10.342 4.156 -12.033 1.00 0.00 C ATOM 870 C SER A 60 -10.654 5.245 -11.004 1.00 0.00 C ATOM 871 O SER A 60 -10.628 6.432 -11.324 1.00 0.00 O ATOM 872 CB SER A 60 -11.633 3.481 -12.499 1.00 0.00 C ATOM 873 OG SER A 60 -11.953 2.339 -11.708 1.00 0.00 O ATOM 0 H SER A 60 -9.689 2.212 -11.601 1.00 0.00 H new ATOM 0 HA SER A 60 -9.868 4.611 -12.903 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.454 4.197 -12.452 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.530 3.182 -13.542 1.00 0.00 H new ATOM 0 HG SER A 60 -12.784 1.937 -12.036 1.00 0.00 H new ATOM 879 N GLU A 61 -10.941 4.802 -9.789 1.00 0.00 N ATOM 880 CA GLU A 61 -11.258 5.724 -8.712 1.00 0.00 C ATOM 881 C GLU A 61 -11.647 4.953 -7.449 1.00 0.00 C ATOM 882 O GLU A 61 -12.773 5.066 -6.970 1.00 0.00 O ATOM 883 CB GLU A 61 -12.369 6.692 -9.126 1.00 0.00 C ATOM 884 CG GLU A 61 -11.990 8.136 -8.796 1.00 0.00 C ATOM 885 CD GLU A 61 -12.498 9.097 -9.873 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.732 9.131 -10.066 1.00 0.00 O ATOM 887 OE2 GLU A 61 -11.639 9.775 -10.479 1.00 0.00 O ATOM 0 H GLU A 61 -10.961 3.817 -9.527 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.368 6.315 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.559 6.597 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.295 6.429 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.409 8.414 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.907 8.221 -8.710 1.00 0.00 H new ATOM 894 N PHE A 62 -10.692 4.185 -6.946 1.00 0.00 N ATOM 895 CA PHE A 62 -10.919 3.394 -5.749 1.00 0.00 C ATOM 896 C PHE A 62 -10.865 4.270 -4.495 1.00 0.00 C ATOM 897 O PHE A 62 -10.833 5.495 -4.591 1.00 0.00 O ATOM 898 CB PHE A 62 -9.800 2.355 -5.679 1.00 0.00 C ATOM 899 CG PHE A 62 -8.396 2.939 -5.853 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.942 3.889 -4.992 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.601 2.509 -6.870 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.640 4.431 -5.153 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.299 3.051 -7.032 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.846 4.001 -6.170 1.00 0.00 C ATOM 0 H PHE A 62 -9.758 4.094 -7.346 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.903 2.928 -5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.853 1.843 -4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.968 1.603 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.573 4.231 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.961 1.755 -7.554 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.280 5.185 -4.468 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.668 2.709 -7.839 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.856 4.414 -6.293 1.00 0.00 H new ATOM 914 N ASP A 63 -10.857 3.606 -3.348 1.00 0.00 N ATOM 915 CA ASP A 63 -10.807 4.309 -2.078 1.00 0.00 C ATOM 916 C ASP A 63 -9.348 4.585 -1.709 1.00 0.00 C ATOM 917 O ASP A 63 -8.751 3.849 -0.926 1.00 0.00 O ATOM 918 CB ASP A 63 -11.425 3.469 -0.959 1.00 0.00 C ATOM 919 CG ASP A 63 -11.352 4.094 0.436 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.265 4.611 0.769 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.386 4.039 1.137 1.00 0.00 O ATOM 0 H ASP A 63 -10.884 2.589 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.368 5.237 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.471 3.281 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.925 2.501 -0.933 1.00 0.00 H new ATOM 926 N ARG A 64 -8.815 5.649 -2.292 1.00 0.00 N ATOM 927 CA ARG A 64 -7.438 6.032 -2.036 1.00 0.00 C ATOM 928 C ARG A 64 -7.151 6.009 -0.533 1.00 0.00 C ATOM 929 O ARG A 64 -6.052 5.651 -0.112 1.00 0.00 O ATOM 930 CB ARG A 64 -7.143 7.431 -2.583 1.00 0.00 C ATOM 931 CG ARG A 64 -8.250 8.414 -2.197 1.00 0.00 C ATOM 932 CD ARG A 64 -7.780 9.364 -1.094 1.00 0.00 C ATOM 933 NE ARG A 64 -8.943 9.858 -0.323 1.00 0.00 N ATOM 934 CZ ARG A 64 -9.693 10.907 -0.684 1.00 0.00 C ATOM 935 NH1 ARG A 64 -9.408 11.578 -1.808 1.00 0.00 N ATOM 936 NH2 ARG A 64 -10.729 11.285 0.077 1.00 0.00 N ATOM 0 H ARG A 64 -9.313 6.258 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.795 5.313 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.187 7.783 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.051 7.389 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.552 8.989 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.128 7.864 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.085 8.849 -0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.240 10.204 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.189 9.369 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.620 11.290 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.979 12.377 -2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.947 10.774 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.300 12.084 -0.199 1.00 0.00 H new ATOM 950 N LYS A 65 -8.159 6.397 0.235 1.00 0.00 N ATOM 951 CA LYS A 65 -8.030 6.425 1.682 1.00 0.00 C ATOM 952 C LYS A 65 -7.555 5.055 2.174 1.00 0.00 C ATOM 953 O LYS A 65 -6.873 4.961 3.193 1.00 0.00 O ATOM 954 CB LYS A 65 -9.336 6.891 2.328 1.00 0.00 C ATOM 955 CG LYS A 65 -9.484 6.320 3.739 1.00 0.00 C ATOM 956 CD LYS A 65 -10.187 7.316 4.663 1.00 0.00 C ATOM 957 CE LYS A 65 -9.179 8.034 5.564 1.00 0.00 C ATOM 958 NZ LYS A 65 -9.241 9.497 5.349 1.00 0.00 N ATOM 0 H LYS A 65 -9.069 6.695 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.276 7.152 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.357 7.980 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.181 6.578 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.052 5.390 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.501 6.077 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.733 8.047 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.921 6.793 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.389 7.805 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.172 7.672 5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.551 9.968 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.019 9.712 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.197 9.840 5.572 1.00 0.00 H new ATOM 972 N GLU A 66 -7.935 4.029 1.427 1.00 0.00 N ATOM 973 CA GLU A 66 -7.556 2.670 1.774 1.00 0.00 C ATOM 974 C GLU A 66 -6.158 2.356 1.241 1.00 0.00 C ATOM 975 O GLU A 66 -5.452 1.516 1.797 1.00 0.00 O ATOM 976 CB GLU A 66 -8.583 1.665 1.249 1.00 0.00 C ATOM 977 CG GLU A 66 -8.084 0.229 1.426 1.00 0.00 C ATOM 978 CD GLU A 66 -9.228 -0.774 1.260 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.731 -0.877 0.120 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.573 -1.414 2.276 1.00 0.00 O ATOM 0 H GLU A 66 -8.501 4.112 0.583 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.535 2.585 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.527 1.794 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.780 1.858 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.303 0.019 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.636 0.115 2.413 1.00 0.00 H new ATOM 987 N TRP A 67 -5.799 3.047 0.169 1.00 0.00 N ATOM 988 CA TRP A 67 -4.497 2.852 -0.446 1.00 0.00 C ATOM 989 C TRP A 67 -3.611 4.040 -0.066 1.00 0.00 C ATOM 990 O TRP A 67 -2.620 4.320 -0.737 1.00 0.00 O ATOM 991 CB TRP A 67 -4.627 2.662 -1.958 1.00 0.00 C ATOM 992 CG TRP A 67 -5.781 1.748 -2.374 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.026 2.097 -2.725 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.744 0.308 -2.469 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.792 0.992 -3.038 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.988 -0.129 -2.878 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.696 -0.595 -2.220 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.299 -1.480 -3.071 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -5.023 -1.940 -2.418 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.270 -2.397 -2.828 1.00 0.00 C ATOM 0 H TRP A 67 -6.387 3.743 -0.289 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.030 1.938 -0.078 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.763 3.637 -2.426 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.694 2.251 -2.344 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.385 3.115 -2.759 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.769 0.998 -3.333 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.715 -0.275 -1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.281 -1.798 -3.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.252 -2.675 -2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.444 -3.455 -2.958 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.002 4.708 1.011 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.256 5.859 1.488 1.00 0.00 C ATOM 1013 C ASP A 68 -2.297 5.418 2.595 1.00 0.00 C ATOM 1014 O ASP A 68 -1.193 5.947 2.711 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.193 6.920 2.070 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.575 7.803 3.156 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.423 8.237 2.947 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.271 8.024 4.171 1.00 0.00 O ATOM 0 H ASP A 68 -4.825 4.473 1.566 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.712 6.281 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.543 7.559 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.070 6.421 2.483 1.00 0.00 H new ATOM 1023 N THR A 69 -2.754 4.453 3.380 1.00 0.00 N ATOM 1024 CA THR A 69 -1.950 3.934 4.473 1.00 0.00 C ATOM 1025 C THR A 69 -1.559 2.479 4.203 1.00 0.00 C ATOM 1026 O THR A 69 -2.154 1.821 3.352 1.00 0.00 O ATOM 1027 CB THR A 69 -2.739 4.121 5.770 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.098 3.950 5.377 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.679 5.559 6.289 1.00 0.00 C ATOM 0 H THR A 69 -3.671 4.017 3.281 1.00 0.00 H new ATOM 0 HA THR A 69 -1.010 4.478 4.566 1.00 0.00 H new ATOM 0 HB THR A 69 -2.352 3.444 6.531 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.480 4.819 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.255 5.637 7.211 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.642 5.832 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.097 6.233 5.542 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.536 2.009 4.966 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.059 0.644 4.818 1.00 0.00 C ATOM 1039 C PRO A 70 -1.034 -0.350 5.453 1.00 0.00 C ATOM 1040 O PRO A 70 -1.271 -1.426 4.907 1.00 0.00 O ATOM 1041 CB PRO A 70 1.312 0.633 5.475 1.00 0.00 C ATOM 1042 CG PRO A 70 1.354 1.861 6.371 1.00 0.00 C ATOM 1043 CD PRO A 70 0.191 2.760 5.985 1.00 0.00 C ATOM 0 HA PRO A 70 0.011 0.334 3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.460 -0.278 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.104 0.668 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.281 1.571 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.300 2.389 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.443 2.978 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.542 3.716 5.597 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.573 0.047 6.596 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.517 -0.795 7.311 1.00 0.00 C ATOM 1053 C ASN A 71 -3.759 -1.012 6.443 1.00 0.00 C ATOM 1054 O ASN A 71 -4.134 -2.149 6.163 1.00 0.00 O ATOM 1055 CB ASN A 71 -2.963 -0.135 8.618 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.461 -0.925 9.829 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.089 -2.084 9.736 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.470 -0.236 10.966 1.00 0.00 N ATOM 0 H ASN A 71 -1.374 0.941 7.045 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.024 -1.741 7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.584 0.886 8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.051 -0.072 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.153 -0.675 11.831 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.794 0.731 10.974 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.362 0.097 6.042 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.553 0.043 5.212 1.00 0.00 C ATOM 1067 C LYS A 72 -5.302 -0.892 4.026 1.00 0.00 C ATOM 1068 O LYS A 72 -6.210 -1.589 3.578 1.00 0.00 O ATOM 1069 CB LYS A 72 -5.986 1.452 4.802 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.133 1.951 5.682 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.017 3.456 5.934 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.397 4.118 5.948 1.00 0.00 C ATOM 1073 NZ LYS A 72 -9.322 3.367 6.826 1.00 0.00 N ATOM 0 H LYS A 72 -4.048 1.039 6.277 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.389 -0.372 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.139 2.134 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.298 1.451 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.086 1.732 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.125 1.418 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.516 3.631 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.399 3.911 5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.310 5.147 6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.798 4.157 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.062 4.007 7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.762 2.594 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.794 2.971 7.630 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.064 -0.876 3.554 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.682 -1.714 2.430 1.00 0.00 C ATOM 1089 C ILE A 73 -3.466 -3.148 2.918 1.00 0.00 C ATOM 1090 O ILE A 73 -4.078 -4.082 2.401 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.470 -1.122 1.709 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.881 0.055 0.820 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.720 -2.199 0.923 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.687 0.582 0.022 1.00 0.00 C ATOM 0 H ILE A 73 -3.313 -0.296 3.929 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.481 -1.746 1.690 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.782 -0.733 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.670 -0.259 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.293 0.854 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.863 -1.752 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.375 -2.975 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.387 -2.639 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.006 1.417 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.910 0.918 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.293 -0.213 -0.611 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.597 -3.277 3.908 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.293 -4.582 4.472 1.00 0.00 C ATOM 1108 C ILE A 74 -3.597 -5.347 4.708 1.00 0.00 C ATOM 1109 O ILE A 74 -3.611 -6.577 4.694 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.430 -4.437 5.727 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.059 -4.497 5.379 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.815 -5.476 6.781 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.920 -4.118 6.586 1.00 0.00 C ATOM 0 H ILE A 74 -2.093 -2.500 4.335 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.699 -5.170 3.772 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.620 -3.455 6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.318 -5.502 5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.270 -3.821 4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.186 -5.350 7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.860 -5.342 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.673 -6.477 6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.974 -4.169 6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.676 -3.104 6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.724 -4.811 7.404 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.661 -4.587 4.920 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.967 -5.177 5.160 1.00 0.00 C ATOM 1127 C ALA A 75 -6.576 -5.613 3.825 1.00 0.00 C ATOM 1128 O ALA A 75 -7.095 -6.723 3.708 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.852 -4.176 5.905 1.00 0.00 C ATOM 0 H ALA A 75 -4.645 -3.567 4.931 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.878 -6.063 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.831 -4.619 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.389 -3.920 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.967 -3.274 5.304 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.495 -4.717 2.853 1.00 0.00 N ATOM 1136 CA LYS A 76 -7.032 -4.995 1.532 1.00 0.00 C ATOM 1137 C LYS A 76 -6.286 -6.185 0.923 1.00 0.00 C ATOM 1138 O LYS A 76 -6.883 -7.004 0.225 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.995 -3.737 0.662 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.995 -3.837 -0.490 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.435 -3.808 0.027 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.405 -3.377 -1.074 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.361 -4.465 -1.377 1.00 0.00 N ATOM 0 H LYS A 76 -6.065 -3.797 2.954 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.083 -5.277 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.223 -2.862 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.990 -3.595 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.838 -3.012 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.823 -4.759 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.713 -4.796 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.508 -3.121 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.947 -2.485 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.849 -3.112 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.012 -4.156 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.840 -5.306 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.904 -4.699 -0.521 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.995 -6.243 1.211 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.162 -7.319 0.700 1.00 0.00 C ATOM 1159 C VAL A 77 -4.416 -8.587 1.518 1.00 0.00 C ATOM 1160 O VAL A 77 -4.246 -9.697 1.018 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.693 -6.890 0.703 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.771 -8.095 0.506 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.433 -5.820 -0.359 1.00 0.00 C ATOM 0 H VAL A 77 -4.505 -5.563 1.792 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.419 -7.543 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.472 -6.455 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.733 -7.763 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.928 -8.810 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.994 -8.572 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.382 -5.532 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.679 -6.217 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.053 -4.947 -0.155 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.820 -8.378 2.763 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.099 -9.491 3.655 1.00 0.00 C ATOM 1175 C GLU A 78 -6.526 -9.999 3.439 1.00 0.00 C ATOM 1176 O GLU A 78 -6.838 -11.143 3.767 1.00 0.00 O ATOM 1177 CB GLU A 78 -4.874 -9.092 5.115 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.382 -9.058 5.450 1.00 0.00 C ATOM 1179 CD GLU A 78 -2.936 -10.368 6.103 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -2.540 -11.276 5.340 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.001 -10.431 7.349 1.00 0.00 O ATOM 0 H GLU A 78 -4.961 -7.455 3.175 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.407 -10.301 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.314 -8.112 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.382 -9.799 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.806 -8.886 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.175 -8.224 6.121 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.355 -9.124 2.890 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.742 -9.469 2.626 1.00 0.00 C ATOM 1190 C GLN A 79 -8.884 -10.059 1.222 1.00 0.00 C ATOM 1191 O GLN A 79 -9.986 -10.117 0.678 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.654 -8.254 2.806 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.572 -8.430 4.016 1.00 0.00 C ATOM 1194 CD GLN A 79 -9.790 -8.287 5.323 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -9.262 -9.242 5.869 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -9.745 -7.043 5.793 1.00 0.00 N ATOM 0 H GLN A 79 -7.093 -8.176 2.620 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.052 -10.224 3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.049 -7.356 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.254 -8.110 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.370 -7.688 3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.047 -9.411 3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.209 -6.289 5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.247 -6.843 6.660 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.754 -10.482 0.675 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.739 -11.066 -0.655 1.00 0.00 C ATOM 1207 C ALA A 80 -7.435 -12.561 -0.549 1.00 0.00 C ATOM 1208 O ALA A 80 -8.096 -13.380 -1.185 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.722 -10.325 -1.526 1.00 0.00 C ATOM 0 H ALA A 80 -6.842 -10.432 1.129 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.714 -10.962 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.710 -10.763 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.999 -9.273 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.731 -10.411 -1.081 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.434 -12.873 0.262 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.035 -14.255 0.461 1.00 0.00 C ATOM 1217 C GLN A 81 -7.256 -15.120 0.784 1.00 0.00 C ATOM 1218 O GLN A 81 -7.980 -14.844 1.739 1.00 0.00 O ATOM 1219 CB GLN A 81 -4.977 -14.368 1.561 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.746 -13.525 1.224 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.383 -13.651 -0.256 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.922 -14.678 -0.724 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.616 -12.550 -0.966 1.00 0.00 N ATOM 0 H GLN A 81 -5.888 -12.191 0.789 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.590 -14.620 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.398 -14.040 2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.686 -15.411 1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.939 -12.480 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.903 -13.844 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.004 -11.723 -0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.407 -12.533 -1.964 1.00 0.00 H new