USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot 180:sc= -1.05 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.0185 X(o=-1.1,f=-1.3) USER MOD Set 2.1: A 62 HIS : no HE2:sc= -3.51! C(o=-3.5!,f=-13!) USER MOD Set 2.2: A 69 THR OG1 : rot 90:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.454 X(o=-0.45,f=-0.24) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0798 USER MOD Single : A 47 GLN : amide:sc= -0.018 K(o=-0.018,f=-0.89) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= 0.547 K(o=0.55,f=-2.9!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00445 USER MOD Single : A 71 ASN : amide:sc= -0.0917 X(o=-0.092,f=-0.35) USER MOD Single : A 72 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.12) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.167) USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.118) USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= 1.09 (180deg=0.492) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.152 -7.029 -2.060 1.00 0.00 N ATOM 2 CA ALA A 1 13.984 -6.726 -1.223 1.00 0.00 C ATOM 3 C ALA A 1 12.811 -6.258 -2.080 1.00 0.00 C ATOM 4 O ALA A 1 12.395 -5.108 -1.953 1.00 0.00 O ATOM 5 CB ALA A 1 14.357 -5.725 -0.117 1.00 0.00 C ATOM 0 H1 ALA A 1 15.938 -7.345 -1.457 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.909 -7.781 -2.736 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.437 -6.175 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 1 13.657 -7.638 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.479 -5.513 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.140 -6.151 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.717 -4.801 -0.569 1.00 0.00 H new ATOM 11 N LEU A 2 12.289 -7.109 -2.976 1.00 0.00 N ATOM 12 CA LEU A 2 11.161 -6.791 -3.853 1.00 0.00 C ATOM 13 C LEU A 2 10.427 -8.080 -4.207 1.00 0.00 C ATOM 14 O LEU A 2 11.009 -8.939 -4.868 1.00 0.00 O ATOM 15 CB LEU A 2 11.622 -6.142 -5.177 1.00 0.00 C ATOM 16 CG LEU A 2 12.062 -4.671 -5.103 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.415 -4.174 -6.504 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.959 -3.768 -4.553 1.00 0.00 C ATOM 0 H LEU A 2 12.648 -8.054 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 2 10.520 -6.090 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.452 -6.727 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.807 -6.218 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 2 12.921 -4.626 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.727 -3.131 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.228 -4.776 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.542 -4.260 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.315 -2.738 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.083 -3.828 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.691 -4.093 -3.548 1.00 0.00 H new ATOM 30 N THR A 3 9.150 -8.194 -3.855 1.00 0.00 N ATOM 31 CA THR A 3 8.329 -9.371 -4.144 1.00 0.00 C ATOM 32 C THR A 3 6.911 -8.951 -4.572 1.00 0.00 C ATOM 33 O THR A 3 6.452 -7.856 -4.249 1.00 0.00 O ATOM 34 CB THR A 3 8.336 -10.262 -2.885 1.00 0.00 C ATOM 35 OG1 THR A 3 9.658 -10.683 -2.588 1.00 0.00 O ATOM 36 CG2 THR A 3 7.444 -11.501 -3.012 1.00 0.00 C ATOM 0 H THR A 3 8.647 -7.462 -3.354 1.00 0.00 H new ATOM 0 HA THR A 3 8.734 -9.939 -4.981 1.00 0.00 H new ATOM 0 HB THR A 3 7.934 -9.646 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.650 -11.246 -1.786 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.496 -12.083 -2.092 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.414 -11.191 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.787 -12.112 -3.847 1.00 0.00 H new ATOM 44 N THR A 4 6.208 -9.818 -5.301 1.00 0.00 N ATOM 45 CA THR A 4 4.842 -9.637 -5.787 1.00 0.00 C ATOM 46 C THR A 4 3.983 -10.667 -5.035 1.00 0.00 C ATOM 47 O THR A 4 4.284 -11.869 -5.044 1.00 0.00 O ATOM 48 CB THR A 4 4.747 -9.747 -7.333 1.00 0.00 C ATOM 49 OG1 THR A 4 5.914 -10.279 -7.947 1.00 0.00 O ATOM 50 CG2 THR A 4 4.502 -8.366 -7.950 1.00 0.00 C ATOM 0 H THR A 4 6.600 -10.716 -5.584 1.00 0.00 H new ATOM 0 HA THR A 4 4.475 -8.631 -5.585 1.00 0.00 H new ATOM 0 HB THR A 4 3.920 -10.432 -7.518 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.783 -10.321 -8.917 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.438 -8.458 -9.034 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.569 -7.956 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.325 -7.700 -7.691 1.00 0.00 H new ATOM 58 N ILE A 5 2.988 -10.192 -4.291 1.00 0.00 N ATOM 59 CA ILE A 5 2.064 -10.988 -3.495 1.00 0.00 C ATOM 60 C ILE A 5 0.674 -10.816 -4.103 1.00 0.00 C ATOM 61 O ILE A 5 0.312 -9.708 -4.509 1.00 0.00 O ATOM 62 CB ILE A 5 2.168 -10.586 -2.004 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.115 -11.314 -1.155 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.102 -9.062 -1.769 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.348 -11.091 0.338 1.00 0.00 C ATOM 0 H ILE A 5 2.797 -9.192 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 5 2.305 -12.051 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 5 3.160 -10.902 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.120 -10.961 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.145 -12.381 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.181 -8.855 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.924 -8.577 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.154 -8.677 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.585 -11.620 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.333 -11.468 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.293 -10.025 0.560 1.00 0.00 H new ATOM 77 N SER A 6 -0.085 -11.902 -4.236 1.00 0.00 N ATOM 78 CA SER A 6 -1.425 -11.821 -4.793 1.00 0.00 C ATOM 79 C SER A 6 -2.334 -11.094 -3.789 1.00 0.00 C ATOM 80 O SER A 6 -2.188 -11.308 -2.577 1.00 0.00 O ATOM 81 CB SER A 6 -1.977 -13.226 -5.060 1.00 0.00 C ATOM 82 OG SER A 6 -1.072 -14.042 -5.787 1.00 0.00 O ATOM 0 H SER A 6 0.207 -12.841 -3.966 1.00 0.00 H new ATOM 0 HA SER A 6 -1.393 -11.275 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.210 -13.707 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.912 -13.145 -5.614 1.00 0.00 H new ATOM 0 HG SER A 6 -1.470 -14.926 -5.929 1.00 0.00 H new ATOM 88 N PRO A 7 -3.306 -10.285 -4.247 1.00 0.00 N ATOM 89 CA PRO A 7 -4.238 -9.569 -3.388 1.00 0.00 C ATOM 90 C PRO A 7 -5.309 -10.555 -2.902 1.00 0.00 C ATOM 91 O PRO A 7 -6.489 -10.454 -3.233 1.00 0.00 O ATOM 92 CB PRO A 7 -4.784 -8.436 -4.259 1.00 0.00 C ATOM 93 CG PRO A 7 -4.814 -9.074 -5.643 1.00 0.00 C ATOM 94 CD PRO A 7 -3.565 -9.952 -5.638 1.00 0.00 C ATOM 0 HA PRO A 7 -3.794 -9.148 -2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.775 -8.117 -3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.141 -7.556 -4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.720 -9.660 -5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.779 -8.325 -6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.721 -10.853 -6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.717 -9.425 -6.076 1.00 0.00 H new ATOM 102 N HIS A 8 -4.861 -11.518 -2.109 1.00 0.00 N ATOM 103 CA HIS A 8 -5.589 -12.607 -1.488 1.00 0.00 C ATOM 104 C HIS A 8 -4.865 -13.042 -0.210 1.00 0.00 C ATOM 105 O HIS A 8 -5.479 -13.643 0.669 1.00 0.00 O ATOM 106 CB HIS A 8 -5.643 -13.742 -2.512 1.00 0.00 C ATOM 107 CG HIS A 8 -6.313 -15.012 -2.054 1.00 0.00 C ATOM 108 ND1 HIS A 8 -7.669 -15.230 -1.963 1.00 0.00 N ATOM 109 CD2 HIS A 8 -5.681 -16.175 -1.707 1.00 0.00 C ATOM 110 CE1 HIS A 8 -7.856 -16.491 -1.544 1.00 0.00 C ATOM 111 NE2 HIS A 8 -6.672 -17.117 -1.399 1.00 0.00 N ATOM 0 H HIS A 8 -3.872 -11.556 -1.861 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.599 -12.312 -1.205 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.162 -13.380 -3.399 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.623 -13.981 -2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.614 -16.337 -1.676 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.819 -16.940 -1.351 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.525 -18.087 -1.120 1.00 0.00 H new ATOM 119 N ASP A 9 -3.569 -12.743 -0.071 1.00 0.00 N ATOM 120 CA ASP A 9 -2.773 -13.097 1.111 1.00 0.00 C ATOM 121 C ASP A 9 -2.494 -11.877 1.971 1.00 0.00 C ATOM 122 O ASP A 9 -2.445 -11.998 3.191 1.00 0.00 O ATOM 123 CB ASP A 9 -1.450 -13.779 0.720 1.00 0.00 C ATOM 124 CG ASP A 9 -1.580 -15.289 0.884 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.204 -15.908 0.000 1.00 0.00 O ATOM 126 OD2 ASP A 9 -1.147 -15.855 1.922 1.00 0.00 O ATOM 0 H ASP A 9 -3.037 -12.243 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.364 -13.806 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.196 -13.536 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.639 -13.405 1.344 1.00 0.00 H new ATOM 131 N ALA A 10 -2.375 -10.686 1.374 1.00 0.00 N ATOM 132 CA ALA A 10 -2.085 -9.466 2.119 1.00 0.00 C ATOM 133 C ALA A 10 -3.069 -9.191 3.249 1.00 0.00 C ATOM 134 O ALA A 10 -2.650 -8.649 4.268 1.00 0.00 O ATOM 135 CB ALA A 10 -1.979 -8.282 1.161 1.00 0.00 C ATOM 0 H ALA A 10 -2.477 -10.546 0.369 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.124 -9.614 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.762 -7.375 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.177 -8.464 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.922 -8.160 0.627 1.00 0.00 H new ATOM 141 N GLN A 11 -4.340 -9.584 3.116 1.00 0.00 N ATOM 142 CA GLN A 11 -5.340 -9.389 4.159 1.00 0.00 C ATOM 143 C GLN A 11 -4.877 -10.030 5.479 1.00 0.00 C ATOM 144 O GLN A 11 -5.304 -9.604 6.556 1.00 0.00 O ATOM 145 CB GLN A 11 -6.641 -10.075 3.693 1.00 0.00 C ATOM 146 CG GLN A 11 -7.872 -9.886 4.595 1.00 0.00 C ATOM 147 CD GLN A 11 -8.687 -11.180 4.721 1.00 0.00 C ATOM 148 OE1 GLN A 11 -9.423 -11.552 3.810 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.543 -11.923 5.806 1.00 0.00 N ATOM 0 H GLN A 11 -4.700 -10.046 2.281 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.494 -8.323 4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.886 -9.704 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.449 -11.144 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.552 -9.560 5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.504 -9.096 4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.931 -11.611 6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.044 -12.808 5.888 1.00 0.00 H new ATOM 158 N GLU A 12 -4.046 -11.070 5.406 1.00 0.00 N ATOM 159 CA GLU A 12 -3.535 -11.815 6.524 1.00 0.00 C ATOM 160 C GLU A 12 -2.391 -11.069 7.198 1.00 0.00 C ATOM 161 O GLU A 12 -2.556 -10.609 8.325 1.00 0.00 O ATOM 162 CB GLU A 12 -3.115 -13.194 5.981 1.00 0.00 C ATOM 163 CG GLU A 12 -3.008 -14.253 7.076 1.00 0.00 C ATOM 164 CD GLU A 12 -1.733 -15.101 6.976 1.00 0.00 C ATOM 165 OE1 GLU A 12 -1.345 -15.502 5.852 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.119 -15.352 8.036 1.00 0.00 O ATOM 0 H GLU A 12 -3.702 -11.422 4.513 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.289 -11.942 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.839 -13.521 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.154 -13.103 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.035 -13.763 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.877 -14.909 7.024 1.00 0.00 H new ATOM 173 N LEU A 13 -1.257 -10.927 6.509 1.00 0.00 N ATOM 174 CA LEU A 13 -0.045 -10.277 6.996 1.00 0.00 C ATOM 175 C LEU A 13 -0.238 -8.853 7.514 1.00 0.00 C ATOM 176 O LEU A 13 0.365 -8.522 8.533 1.00 0.00 O ATOM 177 CB LEU A 13 1.096 -10.365 5.966 1.00 0.00 C ATOM 178 CG LEU A 13 0.709 -10.088 4.510 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.716 -9.210 3.770 1.00 0.00 C ATOM 180 CD2 LEU A 13 0.559 -11.427 3.779 1.00 0.00 C ATOM 0 H LEU A 13 -1.157 -11.278 5.556 1.00 0.00 H new ATOM 0 HA LEU A 13 0.242 -10.848 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.875 -9.659 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.533 -11.362 6.022 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.230 -9.535 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.379 -9.055 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.799 -8.247 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.689 -9.701 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.283 -11.246 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.504 -11.969 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.217 -12.020 4.262 1.00 0.00 H new ATOM 192 N ILE A 14 -1.070 -8.018 6.886 1.00 0.00 N ATOM 193 CA ILE A 14 -1.316 -6.633 7.324 1.00 0.00 C ATOM 194 C ILE A 14 -1.791 -6.620 8.782 1.00 0.00 C ATOM 195 O ILE A 14 -1.330 -5.842 9.616 1.00 0.00 O ATOM 196 CB ILE A 14 -2.292 -5.964 6.311 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.553 -4.947 5.409 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.617 -5.409 6.869 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.892 -5.171 3.932 1.00 0.00 C ATOM 0 H ILE A 14 -1.597 -8.281 6.054 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.403 -6.037 7.320 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.639 -6.798 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.828 -3.933 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.477 -5.040 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.199 -4.972 6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.185 -6.218 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.405 -4.644 7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.359 -4.442 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.594 -6.178 3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.965 -5.053 3.783 1.00 0.00 H new ATOM 211 N ALA A 15 -2.701 -7.536 9.109 1.00 0.00 N ATOM 212 CA ALA A 15 -3.267 -7.676 10.437 1.00 0.00 C ATOM 213 C ALA A 15 -2.378 -8.524 11.354 1.00 0.00 C ATOM 214 O ALA A 15 -2.813 -8.862 12.455 1.00 0.00 O ATOM 215 CB ALA A 15 -4.660 -8.300 10.280 1.00 0.00 C ATOM 0 H ALA A 15 -3.069 -8.212 8.440 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.338 -6.698 10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.117 -8.421 11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.283 -7.649 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.570 -9.274 9.799 1.00 0.00 H new ATOM 221 N ARG A 16 -1.162 -8.904 10.940 1.00 0.00 N ATOM 222 CA ARG A 16 -0.266 -9.748 11.744 1.00 0.00 C ATOM 223 C ARG A 16 1.173 -9.245 11.872 1.00 0.00 C ATOM 224 O ARG A 16 1.982 -9.959 12.470 1.00 0.00 O ATOM 225 CB ARG A 16 -0.291 -11.175 11.174 1.00 0.00 C ATOM 226 CG ARG A 16 -1.699 -11.787 11.137 1.00 0.00 C ATOM 227 CD ARG A 16 -1.719 -13.089 10.328 1.00 0.00 C ATOM 228 NE ARG A 16 -1.092 -14.236 10.999 1.00 0.00 N ATOM 229 CZ ARG A 16 0.154 -14.700 10.850 1.00 0.00 C ATOM 230 NH1 ARG A 16 1.087 -14.024 10.182 1.00 0.00 N ATOM 231 NH2 ARG A 16 0.451 -15.862 11.408 1.00 0.00 N ATOM 0 H ARG A 16 -0.771 -8.635 10.037 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.651 -9.717 12.763 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.120 -11.163 10.164 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.359 -11.811 11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.040 -11.983 12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.397 -11.073 10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.754 -13.342 10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.212 -12.919 9.378 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.680 -14.742 11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.862 -13.121 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.027 -14.409 10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.260 -16.373 11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.391 -16.247 11.315 1.00 0.00 H new ATOM 245 N GLY A 17 1.531 -8.097 11.300 1.00 0.00 N ATOM 246 CA GLY A 17 2.880 -7.551 11.401 1.00 0.00 C ATOM 247 C GLY A 17 3.293 -6.695 10.210 1.00 0.00 C ATOM 248 O GLY A 17 4.161 -5.835 10.366 1.00 0.00 O ATOM 0 H GLY A 17 0.892 -7.520 10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.951 -6.951 12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.587 -8.374 11.506 1.00 0.00 H new ATOM 252 N ALA A 18 2.717 -6.907 9.022 1.00 0.00 N ATOM 253 CA ALA A 18 3.066 -6.111 7.848 1.00 0.00 C ATOM 254 C ALA A 18 2.436 -4.719 7.932 1.00 0.00 C ATOM 255 O ALA A 18 1.604 -4.441 8.798 1.00 0.00 O ATOM 256 CB ALA A 18 2.634 -6.825 6.568 1.00 0.00 C ATOM 0 H ALA A 18 2.009 -7.622 8.852 1.00 0.00 H new ATOM 0 HA ALA A 18 4.149 -5.992 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.902 -6.217 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.136 -7.790 6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.555 -6.978 6.583 1.00 0.00 H new ATOM 262 N LYS A 19 2.814 -3.840 7.005 1.00 0.00 N ATOM 263 CA LYS A 19 2.349 -2.463 6.896 1.00 0.00 C ATOM 264 C LYS A 19 2.378 -2.085 5.411 1.00 0.00 C ATOM 265 O LYS A 19 3.342 -2.440 4.737 1.00 0.00 O ATOM 266 CB LYS A 19 3.335 -1.585 7.693 1.00 0.00 C ATOM 267 CG LYS A 19 3.015 -1.361 9.185 1.00 0.00 C ATOM 268 CD LYS A 19 1.718 -0.569 9.440 1.00 0.00 C ATOM 269 CE LYS A 19 0.526 -1.408 9.901 1.00 0.00 C ATOM 270 NZ LYS A 19 0.606 -1.827 11.310 1.00 0.00 N ATOM 0 H LYS A 19 3.485 -4.083 6.276 1.00 0.00 H new ATOM 0 HA LYS A 19 1.340 -2.330 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.325 -2.035 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.392 -0.611 7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.939 -2.330 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.848 -0.832 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.918 0.194 10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.443 -0.048 8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.389 -0.835 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.452 -2.295 9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.234 -2.391 11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.462 -2.401 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.646 -0.986 11.921 1.00 0.00 H new ATOM 284 N LEU A 20 1.383 -1.368 4.883 1.00 0.00 N ATOM 285 CA LEU A 20 1.335 -0.958 3.475 1.00 0.00 C ATOM 286 C LEU A 20 1.436 0.566 3.398 1.00 0.00 C ATOM 287 O LEU A 20 0.924 1.270 4.267 1.00 0.00 O ATOM 288 CB LEU A 20 0.068 -1.543 2.825 1.00 0.00 C ATOM 289 CG LEU A 20 -0.374 -0.897 1.501 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.529 -1.190 0.315 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.783 -1.367 1.171 1.00 0.00 C ATOM 0 H LEU A 20 0.579 -1.052 5.426 1.00 0.00 H new ATOM 0 HA LEU A 20 2.179 -1.351 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.232 -2.606 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.753 -1.460 3.538 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.322 0.180 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.137 -0.693 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.534 -0.822 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.565 -2.266 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.107 -0.915 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.791 -2.452 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.462 -1.071 1.971 1.00 0.00 H new ATOM 303 N ILE A 21 2.075 1.094 2.351 1.00 0.00 N ATOM 304 CA ILE A 21 2.253 2.524 2.122 1.00 0.00 C ATOM 305 C ILE A 21 1.545 2.878 0.820 1.00 0.00 C ATOM 306 O ILE A 21 1.804 2.262 -0.222 1.00 0.00 O ATOM 307 CB ILE A 21 3.744 2.924 2.041 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.682 2.201 3.022 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.884 4.446 2.202 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.372 2.456 4.492 1.00 0.00 C ATOM 0 H ILE A 21 2.494 0.519 1.620 1.00 0.00 H new ATOM 0 HA ILE A 21 1.829 3.072 2.963 1.00 0.00 H new ATOM 0 HB ILE A 21 4.071 2.599 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.630 1.129 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.707 2.510 2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.937 4.723 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.333 4.948 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.482 4.748 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.081 1.909 5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.454 3.523 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.359 2.119 4.714 1.00 0.00 H new ATOM 322 N ASP A 22 0.637 3.850 0.890 1.00 0.00 N ATOM 323 CA ASP A 22 -0.119 4.327 -0.260 1.00 0.00 C ATOM 324 C ASP A 22 0.738 5.420 -0.890 1.00 0.00 C ATOM 325 O ASP A 22 0.580 6.605 -0.587 1.00 0.00 O ATOM 326 CB ASP A 22 -1.516 4.837 0.152 1.00 0.00 C ATOM 327 CG ASP A 22 -2.655 3.952 -0.351 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.643 3.840 0.410 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.588 3.490 -1.510 1.00 0.00 O ATOM 0 H ASP A 22 0.405 4.332 1.758 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.314 3.528 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.566 4.899 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.654 5.848 -0.232 1.00 0.00 H new ATOM 334 N ILE A 23 1.693 5.040 -1.743 1.00 0.00 N ATOM 335 CA ILE A 23 2.583 5.996 -2.408 1.00 0.00 C ATOM 336 C ILE A 23 1.887 6.609 -3.641 1.00 0.00 C ATOM 337 O ILE A 23 2.505 6.871 -4.671 1.00 0.00 O ATOM 338 CB ILE A 23 3.979 5.374 -2.666 1.00 0.00 C ATOM 339 CG1 ILE A 23 4.044 4.103 -3.552 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.620 5.018 -1.317 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.300 4.426 -5.022 1.00 0.00 C ATOM 0 H ILE A 23 1.871 4.067 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 23 2.786 6.840 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 23 4.503 6.146 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.834 3.448 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.107 3.553 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.603 4.579 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.724 5.920 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.988 4.302 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.336 3.501 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.497 5.058 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.250 4.951 -5.119 1.00 0.00 H new ATOM 353 N ARG A 24 0.585 6.875 -3.524 1.00 0.00 N ATOM 354 CA ARG A 24 -0.267 7.438 -4.565 1.00 0.00 C ATOM 355 C ARG A 24 -0.302 8.954 -4.435 1.00 0.00 C ATOM 356 O ARG A 24 0.650 9.618 -4.847 1.00 0.00 O ATOM 357 CB ARG A 24 -1.652 6.736 -4.609 1.00 0.00 C ATOM 358 CG ARG A 24 -2.225 6.364 -3.232 1.00 0.00 C ATOM 359 CD ARG A 24 -3.709 5.948 -3.272 1.00 0.00 C ATOM 360 NE ARG A 24 -4.340 6.186 -1.963 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.440 5.601 -1.445 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.256 4.830 -2.164 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.771 5.835 -0.183 1.00 0.00 N ATOM 0 H ARG A 24 0.075 6.694 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 24 0.155 7.236 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.360 7.390 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.567 5.830 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.639 5.547 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.113 7.214 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.232 6.513 -4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.792 4.894 -3.537 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.887 6.883 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.060 4.661 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.076 4.409 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.196 6.453 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.601 5.397 0.216 1.00 0.00 H new ATOM 377 N ASP A 25 -1.378 9.496 -3.872 1.00 0.00 N ATOM 378 CA ASP A 25 -1.615 10.919 -3.668 1.00 0.00 C ATOM 379 C ASP A 25 -2.518 11.090 -2.437 1.00 0.00 C ATOM 380 O ASP A 25 -2.639 10.122 -1.683 1.00 0.00 O ATOM 381 CB ASP A 25 -2.227 11.501 -4.938 1.00 0.00 C ATOM 382 CG ASP A 25 -1.875 12.979 -5.014 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.716 13.318 -5.348 1.00 0.00 O ATOM 384 OD2 ASP A 25 -2.708 13.818 -4.621 1.00 0.00 O ATOM 0 H ASP A 25 -2.148 8.923 -3.528 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.689 11.461 -3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.848 10.976 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.309 11.370 -4.931 1.00 0.00 H new ATOM 389 N ALA A 26 -3.173 12.242 -2.224 1.00 0.00 N ATOM 390 CA ALA A 26 -4.047 12.505 -1.066 1.00 0.00 C ATOM 391 C ALA A 26 -5.542 12.664 -1.393 1.00 0.00 C ATOM 392 O ALA A 26 -6.358 12.795 -0.477 1.00 0.00 O ATOM 393 CB ALA A 26 -3.536 13.763 -0.356 1.00 0.00 C ATOM 0 H ALA A 26 -3.110 13.034 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.993 11.620 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.169 13.977 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.511 13.601 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.564 14.607 -1.045 1.00 0.00 H new ATOM 399 N ASP A 27 -5.913 12.641 -2.672 1.00 0.00 N ATOM 400 CA ASP A 27 -7.286 12.795 -3.155 1.00 0.00 C ATOM 401 C ASP A 27 -8.051 11.469 -3.246 1.00 0.00 C ATOM 402 O ASP A 27 -9.272 11.486 -3.399 1.00 0.00 O ATOM 403 CB ASP A 27 -7.252 13.431 -4.556 1.00 0.00 C ATOM 404 CG ASP A 27 -7.016 14.942 -4.558 1.00 0.00 C ATOM 405 OD1 ASP A 27 -7.925 15.668 -4.092 1.00 0.00 O ATOM 406 OD2 ASP A 27 -5.989 15.392 -5.115 1.00 0.00 O ATOM 0 H ASP A 27 -5.242 12.510 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.807 13.424 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.466 12.952 -5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.196 13.222 -5.060 1.00 0.00 H new ATOM 411 N GLU A 28 -7.387 10.311 -3.199 1.00 0.00 N ATOM 412 CA GLU A 28 -8.067 9.012 -3.292 1.00 0.00 C ATOM 413 C GLU A 28 -8.585 8.582 -1.920 1.00 0.00 C ATOM 414 O GLU A 28 -9.714 8.101 -1.805 1.00 0.00 O ATOM 415 CB GLU A 28 -7.151 7.949 -3.913 1.00 0.00 C ATOM 416 CG GLU A 28 -6.450 8.374 -5.213 1.00 0.00 C ATOM 417 CD GLU A 28 -7.321 9.115 -6.246 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.750 9.962 -6.971 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.557 8.897 -6.349 1.00 0.00 O ATOM 0 H GLU A 28 -6.374 10.245 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.926 9.119 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.391 7.674 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.741 7.054 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.607 9.014 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.039 7.483 -5.688 1.00 0.00 H new ATOM 426 N TYR A 29 -7.780 8.830 -0.879 1.00 0.00 N ATOM 427 CA TYR A 29 -8.059 8.547 0.529 1.00 0.00 C ATOM 428 C TYR A 29 -9.376 9.225 0.953 1.00 0.00 C ATOM 429 O TYR A 29 -10.027 8.856 1.934 1.00 0.00 O ATOM 430 CB TYR A 29 -6.864 9.048 1.363 1.00 0.00 C ATOM 431 CG TYR A 29 -7.135 9.130 2.853 1.00 0.00 C ATOM 432 CD1 TYR A 29 -7.254 7.954 3.617 1.00 0.00 C ATOM 433 CD2 TYR A 29 -7.358 10.384 3.453 1.00 0.00 C ATOM 434 CE1 TYR A 29 -7.639 8.027 4.968 1.00 0.00 C ATOM 435 CE2 TYR A 29 -7.735 10.465 4.804 1.00 0.00 C ATOM 436 CZ TYR A 29 -7.900 9.284 5.560 1.00 0.00 C ATOM 437 OH TYR A 29 -8.321 9.371 6.849 1.00 0.00 O ATOM 0 H TYR A 29 -6.864 9.259 -1.008 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.183 7.476 0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.015 8.385 1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.573 10.035 1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.049 6.994 3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.239 11.287 2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.735 7.124 5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.898 11.429 5.263 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.449 10.313 7.088 1.00 0.00 H new ATOM 447 N LEU A 30 -9.776 10.244 0.196 1.00 0.00 N ATOM 448 CA LEU A 30 -10.962 11.028 0.368 1.00 0.00 C ATOM 449 C LEU A 30 -12.218 10.164 0.254 1.00 0.00 C ATOM 450 O LEU A 30 -13.037 10.149 1.171 1.00 0.00 O ATOM 451 CB LEU A 30 -10.929 12.097 -0.738 1.00 0.00 C ATOM 452 CG LEU A 30 -11.628 13.401 -0.380 1.00 0.00 C ATOM 453 CD1 LEU A 30 -13.066 13.205 0.104 1.00 0.00 C ATOM 454 CD2 LEU A 30 -10.796 14.139 0.667 1.00 0.00 C ATOM 0 H LEU A 30 -9.229 10.553 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.992 11.481 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.890 12.313 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.392 11.687 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.704 13.996 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.505 14.174 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.651 12.724 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.068 12.577 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.289 15.075 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.698 13.518 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.807 14.351 0.262 1.00 0.00 H new ATOM 466 N ARG A 31 -12.389 9.447 -0.863 1.00 0.00 N ATOM 467 CA ARG A 31 -13.574 8.617 -1.095 1.00 0.00 C ATOM 468 C ARG A 31 -13.390 7.138 -0.797 1.00 0.00 C ATOM 469 O ARG A 31 -14.390 6.477 -0.517 1.00 0.00 O ATOM 470 CB ARG A 31 -14.063 8.808 -2.543 1.00 0.00 C ATOM 471 CG ARG A 31 -14.792 10.148 -2.760 1.00 0.00 C ATOM 472 CD ARG A 31 -16.167 10.227 -2.072 1.00 0.00 C ATOM 473 NE ARG A 31 -17.124 9.238 -2.615 1.00 0.00 N ATOM 474 CZ ARG A 31 -18.025 9.454 -3.584 1.00 0.00 C ATOM 475 NH1 ARG A 31 -18.265 10.670 -4.048 1.00 0.00 N ATOM 476 NH2 ARG A 31 -18.689 8.436 -4.109 1.00 0.00 N ATOM 0 H ARG A 31 -11.713 9.426 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.321 8.962 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.210 8.751 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.733 7.989 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.163 10.957 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.922 10.311 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.045 10.062 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.575 11.230 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.096 8.301 -2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.759 11.470 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.956 10.807 -4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.515 7.488 -3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.375 8.600 -4.846 1.00 0.00 H new ATOM 490 N GLU A 32 -12.181 6.596 -0.861 1.00 0.00 N ATOM 491 CA GLU A 32 -11.906 5.183 -0.608 1.00 0.00 C ATOM 492 C GLU A 32 -10.605 5.092 0.199 1.00 0.00 C ATOM 493 O GLU A 32 -10.123 6.112 0.680 1.00 0.00 O ATOM 494 CB GLU A 32 -11.870 4.439 -1.971 1.00 0.00 C ATOM 495 CG GLU A 32 -13.287 4.360 -2.586 1.00 0.00 C ATOM 496 CD GLU A 32 -13.448 3.454 -3.810 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.487 2.206 -3.669 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.752 3.954 -4.916 1.00 0.00 O ATOM 0 H GLU A 32 -11.347 7.134 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.680 4.698 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.199 4.957 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.471 3.434 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.976 4.017 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.596 5.368 -2.864 1.00 0.00 H new ATOM 505 N HIS A 33 -10.094 3.894 0.498 1.00 0.00 N ATOM 506 CA HIS A 33 -8.829 3.753 1.220 1.00 0.00 C ATOM 507 C HIS A 33 -8.088 2.623 0.526 1.00 0.00 C ATOM 508 O HIS A 33 -7.800 2.825 -0.645 1.00 0.00 O ATOM 509 CB HIS A 33 -9.015 3.595 2.725 1.00 0.00 C ATOM 510 CG HIS A 33 -7.750 3.778 3.539 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.686 4.360 4.790 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.463 3.472 3.163 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.387 4.417 5.136 1.00 0.00 C ATOM 514 NE2 HIS A 33 -5.615 3.874 4.188 1.00 0.00 N ATOM 0 H HIS A 33 -10.538 3.009 0.251 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.227 4.660 1.175 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.757 4.318 3.064 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.420 2.603 2.926 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.476 4.686 5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.165 3.003 2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.017 4.844 6.056 1.00 0.00 H new ATOM 522 N ILE A 34 -7.858 1.473 1.184 1.00 0.00 N ATOM 523 CA ILE A 34 -7.184 0.251 0.744 1.00 0.00 C ATOM 524 C ILE A 34 -6.982 -0.650 1.998 1.00 0.00 C ATOM 525 O ILE A 34 -7.297 -0.174 3.094 1.00 0.00 O ATOM 526 CB ILE A 34 -5.815 0.626 0.072 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.672 -0.013 -1.332 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.621 0.515 1.036 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.288 -0.501 -1.761 1.00 0.00 C ATOM 0 H ILE A 34 -8.179 1.373 2.147 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.774 -0.290 0.004 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.810 1.694 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.356 -0.860 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.011 0.717 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.704 0.787 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.771 1.189 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.541 -0.509 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.346 -0.923 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.590 0.336 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.940 -1.265 -1.066 1.00 0.00 H new ATOM 541 N PRO A 35 -6.494 -1.908 1.874 1.00 0.00 N ATOM 542 CA PRO A 35 -6.198 -2.808 2.988 1.00 0.00 C ATOM 543 C PRO A 35 -5.011 -2.248 3.781 1.00 0.00 C ATOM 544 O PRO A 35 -3.859 -2.551 3.490 1.00 0.00 O ATOM 545 CB PRO A 35 -5.936 -4.193 2.381 1.00 0.00 C ATOM 546 CG PRO A 35 -5.655 -3.965 0.896 1.00 0.00 C ATOM 547 CD PRO A 35 -6.127 -2.551 0.622 1.00 0.00 C ATOM 0 HA PRO A 35 -7.021 -2.895 3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.089 -4.677 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.797 -4.847 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.594 -4.077 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.189 -4.687 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.339 -1.983 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.981 -2.567 -0.055 1.00 0.00 H new ATOM 555 N GLU A 36 -5.341 -1.417 4.770 1.00 0.00 N ATOM 556 CA GLU A 36 -4.494 -0.734 5.736 1.00 0.00 C ATOM 557 C GLU A 36 -3.256 -0.005 5.205 1.00 0.00 C ATOM 558 O GLU A 36 -2.157 -0.557 5.182 1.00 0.00 O ATOM 559 CB GLU A 36 -4.094 -1.774 6.775 1.00 0.00 C ATOM 560 CG GLU A 36 -3.440 -1.120 7.998 1.00 0.00 C ATOM 561 CD GLU A 36 -2.829 -2.144 8.936 1.00 0.00 C ATOM 562 OE1 GLU A 36 -3.406 -2.369 10.025 1.00 0.00 O ATOM 563 OE2 GLU A 36 -1.741 -2.672 8.651 1.00 0.00 O ATOM 0 H GLU A 36 -6.321 -1.183 4.927 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.088 0.088 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.974 -2.335 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.402 -2.489 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.667 -0.426 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.185 -0.535 8.537 1.00 0.00 H new ATOM 570 N ALA A 37 -3.395 1.269 4.847 1.00 0.00 N ATOM 571 CA ALA A 37 -2.280 2.066 4.365 1.00 0.00 C ATOM 572 C ALA A 37 -2.175 3.350 5.181 1.00 0.00 C ATOM 573 O ALA A 37 -2.946 3.598 6.117 1.00 0.00 O ATOM 574 CB ALA A 37 -2.414 2.324 2.870 1.00 0.00 C ATOM 0 H ALA A 37 -4.281 1.772 4.884 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.348 1.518 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.570 2.922 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.426 1.374 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.342 2.861 2.675 1.00 0.00 H new ATOM 580 N ASP A 38 -1.171 4.156 4.866 1.00 0.00 N ATOM 581 CA ASP A 38 -0.920 5.429 5.510 1.00 0.00 C ATOM 582 C ASP A 38 -0.636 6.413 4.394 1.00 0.00 C ATOM 583 O ASP A 38 0.041 6.055 3.424 1.00 0.00 O ATOM 584 CB ASP A 38 0.246 5.311 6.481 1.00 0.00 C ATOM 585 CG ASP A 38 0.083 6.316 7.615 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.610 5.962 8.599 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.687 7.408 7.567 1.00 0.00 O ATOM 0 H ASP A 38 -0.494 3.933 4.137 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.771 5.764 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.293 4.299 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.185 5.490 5.958 1.00 0.00 H new ATOM 592 N LEU A 39 -1.174 7.626 4.516 1.00 0.00 N ATOM 593 CA LEU A 39 -1.009 8.667 3.518 1.00 0.00 C ATOM 594 C LEU A 39 0.443 9.132 3.471 1.00 0.00 C ATOM 595 O LEU A 39 0.861 9.970 4.274 1.00 0.00 O ATOM 596 CB LEU A 39 -1.987 9.823 3.796 1.00 0.00 C ATOM 597 CG LEU A 39 -1.848 10.993 2.803 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.102 10.561 1.358 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.831 12.107 3.171 1.00 0.00 C ATOM 0 H LEU A 39 -1.739 7.910 5.317 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.248 8.268 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.008 9.443 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.822 10.193 4.808 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.821 11.352 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.992 11.420 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.383 9.792 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.113 10.162 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.728 12.931 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.850 11.721 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.617 12.463 4.179 1.00 0.00 H new ATOM 611 N ALA A 40 1.221 8.582 2.547 1.00 0.00 N ATOM 612 CA ALA A 40 2.617 8.919 2.348 1.00 0.00 C ATOM 613 C ALA A 40 2.900 8.788 0.846 1.00 0.00 C ATOM 614 O ALA A 40 3.534 7.822 0.433 1.00 0.00 O ATOM 615 CB ALA A 40 3.495 8.020 3.228 1.00 0.00 C ATOM 0 H ALA A 40 0.885 7.870 1.899 1.00 0.00 H new ATOM 0 HA ALA A 40 2.850 9.940 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.544 8.275 3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.233 8.169 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.333 6.976 2.958 1.00 0.00 H new ATOM 621 N PRO A 41 2.413 9.729 0.020 1.00 0.00 N ATOM 622 CA PRO A 41 2.624 9.693 -1.418 1.00 0.00 C ATOM 623 C PRO A 41 4.094 9.944 -1.780 1.00 0.00 C ATOM 624 O PRO A 41 4.925 10.250 -0.919 1.00 0.00 O ATOM 625 CB PRO A 41 1.665 10.738 -1.982 1.00 0.00 C ATOM 626 CG PRO A 41 1.526 11.760 -0.862 1.00 0.00 C ATOM 627 CD PRO A 41 1.642 10.905 0.395 1.00 0.00 C ATOM 0 HA PRO A 41 2.417 8.713 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.061 11.193 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.702 10.297 -2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.307 12.519 -0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.571 12.283 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.137 11.455 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.657 10.622 0.765 1.00 0.00 H new ATOM 635 N LEU A 42 4.413 9.857 -3.075 1.00 0.00 N ATOM 636 CA LEU A 42 5.761 10.073 -3.610 1.00 0.00 C ATOM 637 C LEU A 42 6.337 11.400 -3.099 1.00 0.00 C ATOM 638 O LEU A 42 7.494 11.467 -2.685 1.00 0.00 O ATOM 639 CB LEU A 42 5.713 10.019 -5.145 1.00 0.00 C ATOM 640 CG LEU A 42 7.086 10.240 -5.815 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.074 9.109 -5.494 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.898 10.329 -7.330 1.00 0.00 C ATOM 0 H LEU A 42 3.728 9.630 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 42 6.427 9.283 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.319 9.051 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.016 10.776 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 42 7.503 11.168 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.026 9.307 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.227 9.055 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.671 8.161 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.865 10.485 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.457 9.402 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.238 11.163 -7.566 1.00 0.00 H new ATOM 654 N SER A 43 5.484 12.422 -3.017 1.00 0.00 N ATOM 655 CA SER A 43 5.735 13.781 -2.553 1.00 0.00 C ATOM 656 C SER A 43 6.252 13.846 -1.102 1.00 0.00 C ATOM 657 O SER A 43 6.650 14.911 -0.623 1.00 0.00 O ATOM 658 CB SER A 43 4.394 14.525 -2.657 1.00 0.00 C ATOM 659 OG SER A 43 3.750 14.214 -3.880 1.00 0.00 O ATOM 0 H SER A 43 4.511 12.305 -3.301 1.00 0.00 H new ATOM 0 HA SER A 43 6.517 14.229 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.752 14.249 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.561 15.600 -2.590 1.00 0.00 H new ATOM 0 HG SER A 43 2.897 14.693 -3.932 1.00 0.00 H new ATOM 665 N VAL A 44 6.253 12.722 -0.387 1.00 0.00 N ATOM 666 CA VAL A 44 6.684 12.572 0.993 1.00 0.00 C ATOM 667 C VAL A 44 7.852 11.580 1.062 1.00 0.00 C ATOM 668 O VAL A 44 8.814 11.807 1.801 1.00 0.00 O ATOM 669 CB VAL A 44 5.455 12.164 1.838 1.00 0.00 C ATOM 670 CG1 VAL A 44 5.783 12.128 3.327 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.274 13.131 1.645 1.00 0.00 C ATOM 0 H VAL A 44 5.932 11.840 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 44 7.065 13.505 1.407 1.00 0.00 H new ATOM 0 HB VAL A 44 5.178 11.169 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.895 11.837 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.579 11.405 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.110 13.116 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.433 12.805 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.573 14.135 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.977 13.138 0.596 1.00 0.00 H new ATOM 681 N LEU A 45 7.816 10.519 0.253 1.00 0.00 N ATOM 682 CA LEU A 45 8.851 9.487 0.195 1.00 0.00 C ATOM 683 C LEU A 45 10.162 10.073 -0.337 1.00 0.00 C ATOM 684 O LEU A 45 11.242 9.686 0.105 1.00 0.00 O ATOM 685 CB LEU A 45 8.374 8.332 -0.705 1.00 0.00 C ATOM 686 CG LEU A 45 7.247 7.414 -0.165 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.780 6.016 0.154 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.546 7.869 1.126 1.00 0.00 C ATOM 0 H LEU A 45 7.047 10.350 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 45 9.033 9.106 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.034 8.760 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.237 7.706 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 45 6.525 7.444 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.968 5.394 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.190 5.568 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.562 6.088 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.780 7.144 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.278 7.944 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.083 8.843 0.965 1.00 0.00 H new ATOM 700 N GLU A 46 10.075 11.020 -1.267 1.00 0.00 N ATOM 701 CA GLU A 46 11.208 11.692 -1.873 1.00 0.00 C ATOM 702 C GLU A 46 11.820 12.682 -0.879 1.00 0.00 C ATOM 703 O GLU A 46 13.031 12.896 -0.896 1.00 0.00 O ATOM 704 CB GLU A 46 10.702 12.411 -3.127 1.00 0.00 C ATOM 705 CG GLU A 46 10.638 11.485 -4.348 1.00 0.00 C ATOM 706 CD GLU A 46 11.977 11.420 -5.089 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.039 11.937 -6.227 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.966 10.872 -4.552 1.00 0.00 O ATOM 0 H GLU A 46 9.179 11.348 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 46 11.986 10.979 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.711 12.820 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.357 13.254 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.351 10.483 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.863 11.836 -5.029 1.00 0.00 H new ATOM 715 N GLN A 47 10.997 13.294 -0.017 1.00 0.00 N ATOM 716 CA GLN A 47 11.457 14.243 0.985 1.00 0.00 C ATOM 717 C GLN A 47 12.129 13.497 2.136 1.00 0.00 C ATOM 718 O GLN A 47 13.113 13.994 2.688 1.00 0.00 O ATOM 719 CB GLN A 47 10.269 15.052 1.542 1.00 0.00 C ATOM 720 CG GLN A 47 9.825 16.244 0.678 1.00 0.00 C ATOM 721 CD GLN A 47 10.822 17.406 0.641 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.890 17.381 1.255 1.00 0.00 O ATOM 723 NE2 GLN A 47 10.470 18.486 -0.029 1.00 0.00 N ATOM 0 H GLN A 47 9.989 13.138 -0.002 1.00 0.00 H new ATOM 0 HA GLN A 47 12.170 14.921 0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.420 14.380 1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.534 15.421 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.655 15.895 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.870 16.613 1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.586 18.505 -0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.082 19.302 -0.039 1.00 0.00 H new ATOM 732 N SER A 48 11.634 12.309 2.491 1.00 0.00 N ATOM 733 CA SER A 48 12.181 11.529 3.587 1.00 0.00 C ATOM 734 C SER A 48 12.321 10.069 3.172 1.00 0.00 C ATOM 735 O SER A 48 13.398 9.653 2.743 1.00 0.00 O ATOM 736 CB SER A 48 11.306 11.751 4.831 1.00 0.00 C ATOM 737 OG SER A 48 11.184 13.137 5.110 1.00 0.00 O ATOM 0 H SER A 48 10.843 11.867 2.023 1.00 0.00 H new ATOM 0 HA SER A 48 13.189 11.855 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.319 11.318 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.744 11.238 5.687 1.00 0.00 H new ATOM 0 HG SER A 48 10.623 13.263 5.904 1.00 0.00 H new ATOM 743 N GLY A 49 11.245 9.296 3.248 1.00 0.00 N ATOM 744 CA GLY A 49 11.228 7.891 2.904 1.00 0.00 C ATOM 745 C GLY A 49 10.192 7.215 3.783 1.00 0.00 C ATOM 746 O GLY A 49 9.224 7.866 4.192 1.00 0.00 O ATOM 0 H GLY A 49 10.338 9.644 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.982 7.758 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.211 7.447 3.060 1.00 0.00 H new ATOM 750 N LEU A 50 10.375 5.918 4.040 1.00 0.00 N ATOM 751 CA LEU A 50 9.484 5.117 4.872 1.00 0.00 C ATOM 752 C LEU A 50 9.340 5.748 6.264 1.00 0.00 C ATOM 753 O LEU A 50 10.338 5.818 6.986 1.00 0.00 O ATOM 754 CB LEU A 50 10.044 3.696 4.985 1.00 0.00 C ATOM 755 CG LEU A 50 9.168 2.733 5.810 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.908 2.377 5.019 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.949 1.453 6.119 1.00 0.00 C ATOM 0 H LEU A 50 11.163 5.388 3.667 1.00 0.00 H new ATOM 0 HA LEU A 50 8.496 5.081 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.169 3.286 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.035 3.743 5.436 1.00 0.00 H new ATOM 0 HG LEU A 50 8.888 3.220 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.291 1.696 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.344 3.285 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.190 1.896 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.324 0.777 6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.236 0.968 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.844 1.702 6.689 1.00 0.00 H new ATOM 769 N PRO A 51 8.144 6.209 6.662 1.00 0.00 N ATOM 770 CA PRO A 51 7.944 6.811 7.972 1.00 0.00 C ATOM 771 C PRO A 51 8.101 5.782 9.087 1.00 0.00 C ATOM 772 O PRO A 51 7.704 4.622 8.938 1.00 0.00 O ATOM 773 CB PRO A 51 6.510 7.341 7.980 1.00 0.00 C ATOM 774 CG PRO A 51 5.817 6.510 6.904 1.00 0.00 C ATOM 775 CD PRO A 51 6.906 6.190 5.900 1.00 0.00 C ATOM 0 HA PRO A 51 8.681 7.595 8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.039 7.210 8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.474 8.406 7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.386 5.601 7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.002 7.065 6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.742 5.216 5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.928 6.925 5.095 1.00 0.00 H new ATOM 783 N ALA A 52 8.536 6.256 10.260 1.00 0.00 N ATOM 784 CA ALA A 52 8.737 5.429 11.444 1.00 0.00 C ATOM 785 C ALA A 52 7.487 4.619 11.795 1.00 0.00 C ATOM 786 O ALA A 52 7.584 3.448 12.145 1.00 0.00 O ATOM 787 CB ALA A 52 9.138 6.301 12.634 1.00 0.00 C ATOM 0 H ALA A 52 8.760 7.240 10.410 1.00 0.00 H new ATOM 0 HA ALA A 52 9.538 4.725 11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.285 5.673 13.512 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.065 6.826 12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.350 7.027 12.835 1.00 0.00 H new ATOM 793 N LYS A 53 6.295 5.203 11.654 1.00 0.00 N ATOM 794 CA LYS A 53 5.051 4.508 11.974 1.00 0.00 C ATOM 795 C LYS A 53 4.829 3.221 11.160 1.00 0.00 C ATOM 796 O LYS A 53 4.094 2.356 11.631 1.00 0.00 O ATOM 797 CB LYS A 53 3.879 5.486 11.944 1.00 0.00 C ATOM 798 CG LYS A 53 3.515 5.870 10.517 1.00 0.00 C ATOM 799 CD LYS A 53 2.893 7.245 10.381 1.00 0.00 C ATOM 800 CE LYS A 53 1.483 7.256 10.958 1.00 0.00 C ATOM 801 NZ LYS A 53 0.948 8.624 11.008 1.00 0.00 N ATOM 0 H LYS A 53 6.167 6.158 11.319 1.00 0.00 H new ATOM 0 HA LYS A 53 5.131 4.135 12.995 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.015 5.037 12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.136 6.382 12.510 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.414 5.828 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.821 5.129 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.509 7.981 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.864 7.535 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.832 6.628 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.492 6.828 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.013 8.607 11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.559 9.214 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.919 9.021 10.047 1.00 0.00 H new ATOM 815 N LEU A 54 5.441 3.040 9.978 1.00 0.00 N ATOM 816 CA LEU A 54 5.307 1.829 9.168 1.00 0.00 C ATOM 817 C LEU A 54 6.710 1.276 8.869 1.00 0.00 C ATOM 818 O LEU A 54 6.921 0.615 7.860 1.00 0.00 O ATOM 819 CB LEU A 54 4.567 2.134 7.851 1.00 0.00 C ATOM 820 CG LEU A 54 3.150 2.711 8.049 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.184 4.198 7.743 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.061 2.112 7.167 1.00 0.00 C ATOM 0 H LEU A 54 6.049 3.743 9.557 1.00 0.00 H new ATOM 0 HA LEU A 54 4.725 1.090 9.718 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.158 2.841 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.497 1.218 7.265 1.00 0.00 H new ATOM 0 HG LEU A 54 2.893 2.470 9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.188 4.620 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.883 4.692 8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.505 4.350 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.108 2.591 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.312 2.274 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.984 1.042 7.360 1.00 0.00 H new ATOM 834 N ARG A 55 7.628 1.380 9.831 1.00 0.00 N ATOM 835 CA ARG A 55 9.028 0.925 9.728 1.00 0.00 C ATOM 836 C ARG A 55 9.290 -0.574 9.914 1.00 0.00 C ATOM 837 O ARG A 55 10.460 -0.950 10.004 1.00 0.00 O ATOM 838 CB ARG A 55 9.862 1.695 10.760 1.00 0.00 C ATOM 839 CG ARG A 55 9.566 1.218 12.186 1.00 0.00 C ATOM 840 CD ARG A 55 10.236 2.095 13.238 1.00 0.00 C ATOM 841 NE ARG A 55 9.532 2.060 14.532 1.00 0.00 N ATOM 842 CZ ARG A 55 9.401 1.022 15.369 1.00 0.00 C ATOM 843 NH1 ARG A 55 9.831 -0.198 15.062 1.00 0.00 N ATOM 844 NH2 ARG A 55 8.822 1.217 16.545 1.00 0.00 N ATOM 0 H ARG A 55 7.417 1.797 10.738 1.00 0.00 H new ATOM 0 HA ARG A 55 9.308 1.126 8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.922 1.564 10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.649 2.761 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.488 1.216 12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.908 0.190 12.302 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.266 1.766 13.379 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.277 3.123 12.878 1.00 0.00 H new ATOM 0 HE ARG A 55 9.091 2.931 14.826 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.279 -0.369 14.162 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.713 -0.963 15.727 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.485 2.145 16.800 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.713 0.439 17.195 1.00 0.00 H new ATOM 858 N HIS A 56 8.256 -1.399 10.073 1.00 0.00 N ATOM 859 CA HIS A 56 8.384 -2.842 10.298 1.00 0.00 C ATOM 860 C HIS A 56 9.311 -3.506 9.270 1.00 0.00 C ATOM 861 O HIS A 56 9.499 -2.990 8.173 1.00 0.00 O ATOM 862 CB HIS A 56 6.988 -3.485 10.344 1.00 0.00 C ATOM 863 CG HIS A 56 6.058 -2.946 11.419 1.00 0.00 C ATOM 864 ND1 HIS A 56 4.779 -3.398 11.654 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.307 -1.955 12.337 1.00 0.00 C ATOM 866 CE1 HIS A 56 4.260 -2.685 12.665 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.150 -1.773 13.102 1.00 0.00 N ATOM 0 H HIS A 56 7.288 -1.080 10.049 1.00 0.00 H new ATOM 0 HA HIS A 56 8.861 -3.005 11.265 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.511 -3.349 9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.105 -4.558 10.494 1.00 0.00 H new ATOM 0 HD1 HIS A 56 4.307 -4.146 11.147 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.234 -1.412 12.449 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.269 -2.823 13.071 1.00 0.00 H new ATOM 875 N GLU A 57 9.880 -4.668 9.598 1.00 0.00 N ATOM 876 CA GLU A 57 10.806 -5.414 8.726 1.00 0.00 C ATOM 877 C GLU A 57 10.146 -5.986 7.469 1.00 0.00 C ATOM 878 O GLU A 57 10.826 -6.548 6.610 1.00 0.00 O ATOM 879 CB GLU A 57 11.444 -6.555 9.528 1.00 0.00 C ATOM 880 CG GLU A 57 12.470 -6.016 10.533 1.00 0.00 C ATOM 881 CD GLU A 57 12.750 -7.028 11.640 1.00 0.00 C ATOM 882 OE1 GLU A 57 13.926 -7.391 11.875 1.00 0.00 O ATOM 883 OE2 GLU A 57 11.773 -7.450 12.304 1.00 0.00 O ATOM 0 H GLU A 57 9.711 -5.130 10.492 1.00 0.00 H new ATOM 0 HA GLU A 57 11.556 -4.701 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.669 -7.110 10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.929 -7.255 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.398 -5.776 10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.100 -5.089 10.971 1.00 0.00 H new ATOM 890 N GLN A 58 8.827 -5.886 7.351 1.00 0.00 N ATOM 891 CA GLN A 58 8.062 -6.379 6.226 1.00 0.00 C ATOM 892 C GLN A 58 7.013 -5.328 5.940 1.00 0.00 C ATOM 893 O GLN A 58 6.183 -5.022 6.803 1.00 0.00 O ATOM 894 CB GLN A 58 7.450 -7.745 6.574 1.00 0.00 C ATOM 895 CG GLN A 58 8.475 -8.890 6.700 1.00 0.00 C ATOM 896 CD GLN A 58 7.972 -10.028 7.585 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.786 -10.356 7.604 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.846 -10.644 8.368 1.00 0.00 N ATOM 0 H GLN A 58 8.247 -5.443 8.064 1.00 0.00 H new ATOM 0 HA GLN A 58 8.675 -6.539 5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.905 -7.656 7.514 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.722 -8.009 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.704 -9.279 5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.405 -8.498 7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.828 -10.370 8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.536 -11.392 8.988 1.00 0.00 H new ATOM 907 N ILE A 59 7.117 -4.712 4.764 1.00 0.00 N ATOM 908 CA ILE A 59 6.196 -3.691 4.334 1.00 0.00 C ATOM 909 C ILE A 59 5.736 -3.987 2.901 1.00 0.00 C ATOM 910 O ILE A 59 6.209 -4.908 2.238 1.00 0.00 O ATOM 911 CB ILE A 59 6.761 -2.267 4.577 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.565 -1.673 3.408 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.595 -2.048 5.855 1.00 0.00 C ATOM 914 CD1 ILE A 59 6.970 -0.386 2.852 1.00 0.00 C ATOM 0 H ILE A 59 7.852 -4.917 4.087 1.00 0.00 H new ATOM 0 HA ILE A 59 5.295 -3.712 4.947 1.00 0.00 H new ATOM 0 HB ILE A 59 5.815 -1.740 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.585 -1.478 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.626 -2.411 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.927 -1.011 5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.985 -2.272 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.464 -2.706 5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.589 -0.024 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.961 -0.579 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.934 0.368 3.639 1.00 0.00 H new ATOM 926 N ILE A 60 4.809 -3.183 2.408 1.00 0.00 N ATOM 927 CA ILE A 60 4.220 -3.280 1.083 1.00 0.00 C ATOM 928 C ILE A 60 4.061 -1.862 0.561 1.00 0.00 C ATOM 929 O ILE A 60 3.898 -0.896 1.306 1.00 0.00 O ATOM 930 CB ILE A 60 2.838 -3.991 1.089 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.747 -5.188 2.062 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.395 -4.418 -0.340 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.430 -5.942 1.879 1.00 0.00 C ATOM 0 H ILE A 60 4.428 -2.406 2.948 1.00 0.00 H new ATOM 0 HA ILE A 60 4.872 -3.881 0.449 1.00 0.00 H new ATOM 0 HB ILE A 60 2.144 -3.238 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.584 -5.865 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.828 -4.833 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.424 -4.911 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.321 -3.536 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.129 -5.106 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.391 -6.780 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.595 -5.269 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.364 -6.316 0.857 1.00 0.00 H new ATOM 945 N PHE A 61 4.020 -1.760 -0.750 1.00 0.00 N ATOM 946 CA PHE A 61 3.864 -0.539 -1.495 1.00 0.00 C ATOM 947 C PHE A 61 2.743 -0.629 -2.500 1.00 0.00 C ATOM 948 O PHE A 61 2.661 -1.621 -3.232 1.00 0.00 O ATOM 949 CB PHE A 61 5.153 -0.303 -2.295 1.00 0.00 C ATOM 950 CG PHE A 61 6.163 0.534 -1.563 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.776 1.716 -0.913 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.494 0.122 -1.517 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.712 2.439 -0.166 1.00 0.00 C ATOM 954 CE2 PHE A 61 8.433 0.851 -0.783 1.00 0.00 C ATOM 955 CZ PHE A 61 8.050 2.024 -0.114 1.00 0.00 C ATOM 0 H PHE A 61 4.100 -2.577 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 61 3.647 0.260 -0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.600 -1.266 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.903 0.184 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.757 2.067 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.801 -0.765 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.402 3.322 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.457 0.511 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.779 2.601 0.435 1.00 0.00 H new ATOM 965 N HIS A 62 1.889 0.401 -2.554 1.00 0.00 N ATOM 966 CA HIS A 62 0.840 0.440 -3.550 1.00 0.00 C ATOM 967 C HIS A 62 0.426 1.831 -3.988 1.00 0.00 C ATOM 968 O HIS A 62 0.659 2.812 -3.289 1.00 0.00 O ATOM 969 CB HIS A 62 -0.264 -0.622 -3.408 1.00 0.00 C ATOM 970 CG HIS A 62 -0.271 -1.536 -4.621 1.00 0.00 C ATOM 971 ND1 HIS A 62 0.728 -1.650 -5.568 1.00 0.00 N ATOM 972 CD2 HIS A 62 -1.236 -2.433 -4.962 1.00 0.00 C ATOM 973 CE1 HIS A 62 0.373 -2.566 -6.467 1.00 0.00 C ATOM 974 NE2 HIS A 62 -0.838 -3.034 -6.164 1.00 0.00 N ATOM 0 H HIS A 62 1.912 1.203 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 62 1.328 0.072 -4.453 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.101 -1.208 -2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.234 -0.137 -3.303 1.00 0.00 H new ATOM 0 HD1 HIS A 62 1.598 -1.118 -5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.140 -2.643 -4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.972 -2.880 -7.309 1.00 0.00 H new ATOM 982 N CYS A 63 -0.059 1.907 -5.232 1.00 0.00 N ATOM 983 CA CYS A 63 -0.481 3.139 -5.860 1.00 0.00 C ATOM 984 C CYS A 63 -1.390 2.830 -7.058 1.00 0.00 C ATOM 985 O CYS A 63 -1.166 1.840 -7.776 1.00 0.00 O ATOM 986 CB CYS A 63 0.796 3.893 -6.278 1.00 0.00 C ATOM 987 SG CYS A 63 0.492 5.316 -7.352 1.00 0.00 S ATOM 0 H CYS A 63 -0.167 1.090 -5.833 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.063 3.760 -5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.315 4.232 -5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.463 3.200 -6.790 1.00 0.00 H new ATOM 0 HG CYS A 63 1.622 5.886 -7.648 1.00 0.00 H new ATOM 993 N GLN A 64 -2.348 3.739 -7.289 1.00 0.00 N ATOM 994 CA GLN A 64 -3.377 3.742 -8.328 1.00 0.00 C ATOM 995 C GLN A 64 -4.203 2.447 -8.311 1.00 0.00 C ATOM 996 O GLN A 64 -4.089 1.626 -7.402 1.00 0.00 O ATOM 997 CB GLN A 64 -2.775 4.080 -9.716 1.00 0.00 C ATOM 998 CG GLN A 64 -3.383 5.346 -10.361 1.00 0.00 C ATOM 999 CD GLN A 64 -2.539 6.603 -10.151 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -1.739 6.687 -9.228 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -2.605 7.576 -11.045 1.00 0.00 N ATOM 0 H GLN A 64 -2.425 4.565 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.084 4.542 -8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.698 4.216 -9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.927 3.233 -10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.507 5.176 -11.430 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.378 5.513 -9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.268 7.515 -11.817 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.992 8.387 -10.962 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.052 2.257 -9.320 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.910 1.095 -9.489 1.00 0.00 C ATOM 1012 C ALA A 65 -5.410 0.262 -10.675 1.00 0.00 C ATOM 1013 O ALA A 65 -6.209 -0.254 -11.460 1.00 0.00 O ATOM 1014 CB ALA A 65 -7.353 1.579 -9.645 1.00 0.00 C ATOM 0 H ALA A 65 -5.162 2.939 -10.070 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.879 0.439 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.013 0.721 -9.773 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.649 2.134 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.427 2.227 -10.518 1.00 0.00 H new ATOM 1020 N GLY A 66 -4.082 0.146 -10.805 1.00 0.00 N ATOM 1021 CA GLY A 66 -3.413 -0.595 -11.866 1.00 0.00 C ATOM 1022 C GLY A 66 -1.913 -0.714 -11.608 1.00 0.00 C ATOM 1023 O GLY A 66 -1.115 -0.271 -12.432 1.00 0.00 O ATOM 0 H GLY A 66 -3.430 0.581 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.849 -1.591 -11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.580 -0.096 -12.821 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.537 -1.288 -10.456 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.168 -1.540 -9.973 1.00 0.00 C ATOM 1029 C LYS A 67 0.914 -0.543 -10.435 1.00 0.00 C ATOM 1030 O LYS A 67 1.914 -0.927 -11.033 1.00 0.00 O ATOM 1031 CB LYS A 67 0.250 -3.006 -10.233 1.00 0.00 C ATOM 1032 CG LYS A 67 0.298 -3.463 -11.708 1.00 0.00 C ATOM 1033 CD LYS A 67 -0.970 -4.198 -12.158 1.00 0.00 C ATOM 1034 CE LYS A 67 -0.855 -4.584 -13.637 1.00 0.00 C ATOM 1035 NZ LYS A 67 -1.951 -5.483 -14.043 1.00 0.00 N ATOM 0 H LYS A 67 -2.233 -1.613 -9.786 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.226 -1.364 -8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.237 -3.161 -9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.441 -3.657 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.450 -2.592 -12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.158 -4.117 -11.850 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.117 -5.091 -11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.842 -3.562 -12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.873 -3.684 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.103 -5.072 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.846 -5.726 -15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.918 -6.351 -13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.864 -5.006 -13.896 1.00 0.00 H new ATOM 1049 N ARG A 68 0.769 0.741 -10.112 1.00 0.00 N ATOM 1050 CA ARG A 68 1.734 1.790 -10.478 1.00 0.00 C ATOM 1051 C ARG A 68 2.860 1.806 -9.445 1.00 0.00 C ATOM 1052 O ARG A 68 3.107 2.804 -8.781 1.00 0.00 O ATOM 1053 CB ARG A 68 1.010 3.144 -10.561 1.00 0.00 C ATOM 1054 CG ARG A 68 0.033 3.258 -11.745 1.00 0.00 C ATOM 1055 CD ARG A 68 0.669 3.008 -13.120 1.00 0.00 C ATOM 1056 NE ARG A 68 1.901 3.790 -13.295 1.00 0.00 N ATOM 1057 CZ ARG A 68 2.796 3.684 -14.278 1.00 0.00 C ATOM 1058 NH1 ARG A 68 2.574 2.864 -15.302 1.00 0.00 N ATOM 1059 NH2 ARG A 68 3.916 4.391 -14.206 1.00 0.00 N ATOM 0 H ARG A 68 -0.029 1.092 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 68 2.172 1.590 -11.456 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.462 3.309 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.753 3.938 -10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.779 2.546 -11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.411 4.254 -11.739 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.892 1.947 -13.231 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.043 3.268 -13.904 1.00 0.00 H new ATOM 0 HE ARG A 68 2.094 4.495 -12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.716 2.313 -15.338 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.261 2.786 -16.051 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.082 5.004 -13.408 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.611 4.322 -14.949 1.00 0.00 H new ATOM 1073 N THR A 69 3.467 0.647 -9.221 1.00 0.00 N ATOM 1074 CA THR A 69 4.537 0.452 -8.253 1.00 0.00 C ATOM 1075 C THR A 69 5.817 -0.081 -8.867 1.00 0.00 C ATOM 1076 O THR A 69 6.872 0.534 -8.711 1.00 0.00 O ATOM 1077 CB THR A 69 4.023 -0.442 -7.120 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.991 -1.303 -7.575 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.431 0.405 -6.003 1.00 0.00 C ATOM 0 H THR A 69 3.221 -0.207 -9.722 1.00 0.00 H new ATOM 0 HA THR A 69 4.812 1.427 -7.851 1.00 0.00 H new ATOM 0 HB THR A 69 4.874 -1.023 -6.765 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.383 -2.140 -7.900 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.070 -0.245 -5.206 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.196 1.073 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.602 0.994 -6.394 1.00 0.00 H new ATOM 1087 N SER A 70 5.728 -1.195 -9.605 1.00 0.00 N ATOM 1088 CA SER A 70 6.897 -1.829 -10.233 1.00 0.00 C ATOM 1089 C SER A 70 7.717 -0.826 -11.041 1.00 0.00 C ATOM 1090 O SER A 70 8.943 -0.873 -11.074 1.00 0.00 O ATOM 1091 CB SER A 70 6.481 -3.055 -11.051 1.00 0.00 C ATOM 1092 OG SER A 70 5.290 -2.837 -11.787 1.00 0.00 O ATOM 0 H SER A 70 4.849 -1.681 -9.784 1.00 0.00 H new ATOM 0 HA SER A 70 7.556 -2.187 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.285 -3.320 -11.737 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.341 -3.904 -10.382 1.00 0.00 H new ATOM 0 HG SER A 70 5.066 -3.645 -12.294 1.00 0.00 H new ATOM 1098 N ASN A 71 7.024 0.160 -11.594 1.00 0.00 N ATOM 1099 CA ASN A 71 7.553 1.247 -12.401 1.00 0.00 C ATOM 1100 C ASN A 71 8.618 2.100 -11.699 1.00 0.00 C ATOM 1101 O ASN A 71 9.326 2.843 -12.377 1.00 0.00 O ATOM 1102 CB ASN A 71 6.395 2.177 -12.768 1.00 0.00 C ATOM 1103 CG ASN A 71 5.274 1.495 -13.529 1.00 0.00 C ATOM 1104 OD1 ASN A 71 4.268 1.117 -12.929 1.00 0.00 O ATOM 1105 ND2 ASN A 71 5.402 1.316 -14.831 1.00 0.00 N ATOM 0 H ASN A 71 6.012 0.224 -11.483 1.00 0.00 H new ATOM 0 HA ASN A 71 8.030 0.782 -13.264 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.988 2.612 -11.855 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.780 3.000 -13.369 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.659 0.857 -15.358 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.244 1.637 -15.310 1.00 0.00 H new ATOM 1112 N ASN A 72 8.708 2.067 -10.364 1.00 0.00 N ATOM 1113 CA ASN A 72 9.668 2.842 -9.561 1.00 0.00 C ATOM 1114 C ASN A 72 10.118 2.039 -8.331 1.00 0.00 C ATOM 1115 O ASN A 72 10.676 2.588 -7.375 1.00 0.00 O ATOM 1116 CB ASN A 72 9.043 4.158 -9.055 1.00 0.00 C ATOM 1117 CG ASN A 72 8.161 4.894 -10.052 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.574 5.822 -10.743 1.00 0.00 O ATOM 1119 ND2 ASN A 72 6.893 4.521 -10.125 1.00 0.00 N ATOM 0 H ASN A 72 8.097 1.483 -9.793 1.00 0.00 H new ATOM 0 HA ASN A 72 10.517 3.060 -10.209 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.451 3.940 -8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.847 4.826 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.255 5.005 -10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.554 3.750 -9.550 1.00 0.00 H new ATOM 1126 N ALA A 73 9.831 0.736 -8.332 1.00 0.00 N ATOM 1127 CA ALA A 73 10.135 -0.186 -7.246 1.00 0.00 C ATOM 1128 C ALA A 73 11.603 -0.202 -6.795 1.00 0.00 C ATOM 1129 O ALA A 73 11.869 -0.507 -5.635 1.00 0.00 O ATOM 1130 CB ALA A 73 9.708 -1.596 -7.650 1.00 0.00 C ATOM 0 H ALA A 73 9.365 0.282 -9.118 1.00 0.00 H new ATOM 0 HA ALA A 73 9.573 0.175 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.933 -2.290 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.637 -1.608 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.249 -1.897 -8.547 1.00 0.00 H new ATOM 1136 N ASP A 74 12.564 0.128 -7.655 1.00 0.00 N ATOM 1137 CA ASP A 74 13.981 0.081 -7.279 1.00 0.00 C ATOM 1138 C ASP A 74 14.368 1.222 -6.336 1.00 0.00 C ATOM 1139 O ASP A 74 14.993 0.972 -5.301 1.00 0.00 O ATOM 1140 CB ASP A 74 14.882 0.039 -8.514 1.00 0.00 C ATOM 1141 CG ASP A 74 14.851 -1.279 -9.303 1.00 0.00 C ATOM 1142 OD1 ASP A 74 14.464 -2.344 -8.759 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.246 -1.217 -10.489 1.00 0.00 O ATOM 0 H ASP A 74 12.392 0.430 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 74 14.134 -0.846 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.593 0.850 -9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.908 0.233 -8.202 1.00 0.00 H new ATOM 1148 N LYS A 75 14.040 2.482 -6.647 1.00 0.00 N ATOM 1149 CA LYS A 75 14.351 3.617 -5.784 1.00 0.00 C ATOM 1150 C LYS A 75 13.523 3.441 -4.513 1.00 0.00 C ATOM 1151 O LYS A 75 14.026 3.635 -3.406 1.00 0.00 O ATOM 1152 CB LYS A 75 14.031 4.926 -6.531 1.00 0.00 C ATOM 1153 CG LYS A 75 14.950 6.101 -6.172 1.00 0.00 C ATOM 1154 CD LYS A 75 14.938 6.443 -4.679 1.00 0.00 C ATOM 1155 CE LYS A 75 15.496 7.859 -4.446 1.00 0.00 C ATOM 1156 NZ LYS A 75 15.601 8.259 -3.022 1.00 0.00 N ATOM 0 H LYS A 75 13.552 2.738 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 75 15.407 3.665 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.097 4.743 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.000 5.209 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.969 5.862 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.646 6.979 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.921 6.379 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.534 5.715 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.484 7.924 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.859 8.575 -4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.235 9.079 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.659 8.512 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.983 7.467 -2.466 1.00 0.00 H new ATOM 1170 N LEU A 76 12.262 3.017 -4.667 1.00 0.00 N ATOM 1171 CA LEU A 76 11.366 2.788 -3.543 1.00 0.00 C ATOM 1172 C LEU A 76 11.906 1.683 -2.619 1.00 0.00 C ATOM 1173 O LEU A 76 11.541 1.654 -1.447 1.00 0.00 O ATOM 1174 CB LEU A 76 9.939 2.480 -4.035 1.00 0.00 C ATOM 1175 CG LEU A 76 9.196 3.699 -4.619 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.897 3.247 -5.295 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.828 4.731 -3.543 1.00 0.00 C ATOM 0 H LEU A 76 11.841 2.825 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 76 11.318 3.703 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.989 1.700 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.359 2.078 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 76 9.875 4.162 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.379 4.114 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.129 2.550 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.257 2.755 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.307 5.569 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.180 4.266 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.736 5.091 -3.059 1.00 0.00 H new ATOM 1189 N ALA A 77 12.763 0.765 -3.096 1.00 0.00 N ATOM 1190 CA ALA A 77 13.315 -0.298 -2.258 1.00 0.00 C ATOM 1191 C ALA A 77 14.225 0.340 -1.213 1.00 0.00 C ATOM 1192 O ALA A 77 14.012 0.155 -0.020 1.00 0.00 O ATOM 1193 CB ALA A 77 14.059 -1.350 -3.092 1.00 0.00 C ATOM 0 H ALA A 77 13.086 0.743 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 77 12.503 -0.829 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.455 -2.123 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.371 -1.800 -3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.880 -0.875 -3.628 1.00 0.00 H new ATOM 1199 N ALA A 78 15.207 1.135 -1.652 1.00 0.00 N ATOM 1200 CA ALA A 78 16.148 1.819 -0.766 1.00 0.00 C ATOM 1201 C ALA A 78 15.435 2.740 0.236 1.00 0.00 C ATOM 1202 O ALA A 78 15.952 3.015 1.322 1.00 0.00 O ATOM 1203 CB ALA A 78 17.131 2.623 -1.620 1.00 0.00 C ATOM 0 H ALA A 78 15.370 1.322 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 78 16.680 1.068 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.839 3.139 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.672 1.949 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.583 3.355 -2.214 1.00 0.00 H new ATOM 1209 N ILE A 79 14.253 3.225 -0.138 1.00 0.00 N ATOM 1210 CA ILE A 79 13.403 4.104 0.649 1.00 0.00 C ATOM 1211 C ILE A 79 12.743 3.371 1.826 1.00 0.00 C ATOM 1212 O ILE A 79 12.485 4.029 2.839 1.00 0.00 O ATOM 1213 CB ILE A 79 12.393 4.748 -0.327 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.061 5.973 -0.980 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.040 5.103 0.293 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.247 6.598 -2.116 1.00 0.00 C ATOM 0 H ILE A 79 13.845 3.002 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 79 13.991 4.887 1.128 1.00 0.00 H new ATOM 0 HB ILE A 79 12.144 3.999 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.236 6.729 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.037 5.678 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.398 5.549 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.569 4.200 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.188 5.813 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.786 7.454 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.094 5.859 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.281 6.926 -1.733 1.00 0.00 H new ATOM 1228 N ALA A 80 12.473 2.059 1.726 1.00 0.00 N ATOM 1229 CA ALA A 80 11.829 1.300 2.794 1.00 0.00 C ATOM 1230 C ALA A 80 12.699 0.180 3.364 1.00 0.00 C ATOM 1231 O ALA A 80 12.284 -0.468 4.323 1.00 0.00 O ATOM 1232 CB ALA A 80 10.451 0.883 2.301 1.00 0.00 C ATOM 0 H ALA A 80 12.697 1.502 0.902 1.00 0.00 H new ATOM 0 HA ALA A 80 11.694 1.928 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.944 0.313 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.866 1.771 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.555 0.266 1.408 1.00 0.00 H new ATOM 1238 N ALA A 81 13.905 -0.023 2.832 1.00 0.00 N ATOM 1239 CA ALA A 81 14.852 -1.024 3.305 1.00 0.00 C ATOM 1240 C ALA A 81 15.256 -0.670 4.757 1.00 0.00 C ATOM 1241 O ALA A 81 15.024 0.467 5.195 1.00 0.00 O ATOM 1242 CB ALA A 81 16.056 -1.004 2.362 1.00 0.00 C ATOM 0 H ALA A 81 14.255 0.519 2.042 1.00 0.00 H new ATOM 0 HA ALA A 81 14.423 -2.026 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.786 -1.744 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.729 -1.239 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.512 -0.014 2.375 1.00 0.00 H new ATOM 1248 N PRO A 82 15.852 -1.587 5.541 1.00 0.00 N ATOM 1249 CA PRO A 82 16.208 -2.978 5.220 1.00 0.00 C ATOM 1250 C PRO A 82 15.028 -3.940 5.065 1.00 0.00 C ATOM 1251 O PRO A 82 15.247 -5.078 4.650 1.00 0.00 O ATOM 1252 CB PRO A 82 17.060 -3.438 6.403 1.00 0.00 C ATOM 1253 CG PRO A 82 16.439 -2.652 7.551 1.00 0.00 C ATOM 1254 CD PRO A 82 16.222 -1.292 6.912 1.00 0.00 C ATOM 0 HA PRO A 82 16.704 -2.995 4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.995 -4.515 6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.115 -3.199 6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.505 -3.097 7.893 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.101 -2.597 8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.437 -0.734 7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.126 -0.684 6.957 1.00 0.00 H new ATOM 1262 N ALA A 83 13.802 -3.507 5.365 1.00 0.00 N ATOM 1263 CA ALA A 83 12.623 -4.348 5.263 1.00 0.00 C ATOM 1264 C ALA A 83 12.431 -4.984 3.884 1.00 0.00 C ATOM 1265 O ALA A 83 12.913 -4.488 2.863 1.00 0.00 O ATOM 1266 CB ALA A 83 11.380 -3.500 5.563 1.00 0.00 C ATOM 0 H ALA A 83 13.605 -2.559 5.686 1.00 0.00 H new ATOM 0 HA ALA A 83 12.762 -5.157 5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.488 -4.123 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.454 -3.090 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.314 -2.684 4.843 1.00 0.00 H new ATOM 1272 N GLU A 84 11.692 -6.089 3.865 1.00 0.00 N ATOM 1273 CA GLU A 84 11.341 -6.810 2.655 1.00 0.00 C ATOM 1274 C GLU A 84 10.101 -6.092 2.135 1.00 0.00 C ATOM 1275 O GLU A 84 9.090 -6.020 2.842 1.00 0.00 O ATOM 1276 CB GLU A 84 11.054 -8.285 2.944 1.00 0.00 C ATOM 1277 CG GLU A 84 12.350 -9.099 2.978 1.00 0.00 C ATOM 1278 CD GLU A 84 13.033 -9.255 1.610 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.474 -8.906 0.543 1.00 0.00 O ATOM 1280 OE2 GLU A 84 14.155 -9.807 1.579 1.00 0.00 O ATOM 0 H GLU A 84 11.314 -6.514 4.712 1.00 0.00 H new ATOM 0 HA GLU A 84 12.152 -6.814 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.536 -8.378 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.388 -8.686 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.047 -8.622 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.133 -10.089 3.378 1.00 0.00 H new ATOM 1287 N ILE A 85 10.196 -5.517 0.936 1.00 0.00 N ATOM 1288 CA ILE A 85 9.113 -4.771 0.319 1.00 0.00 C ATOM 1289 C ILE A 85 8.336 -5.665 -0.640 1.00 0.00 C ATOM 1290 O ILE A 85 8.914 -6.436 -1.411 1.00 0.00 O ATOM 1291 CB ILE A 85 9.693 -3.483 -0.328 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.681 -2.286 0.630 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.928 -3.071 -1.588 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.263 -2.631 2.001 1.00 0.00 C ATOM 0 H ILE A 85 11.039 -5.560 0.364 1.00 0.00 H new ATOM 0 HA ILE A 85 8.384 -4.447 1.062 1.00 0.00 H new ATOM 0 HB ILE A 85 10.721 -3.741 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.252 -1.467 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.657 -1.932 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.371 -2.166 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.982 -3.872 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.885 -2.881 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.232 -1.750 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.677 -3.430 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.296 -2.959 1.886 1.00 0.00 H new ATOM 1306 N PHE A 86 7.019 -5.457 -0.660 1.00 0.00 N ATOM 1307 CA PHE A 86 6.090 -6.186 -1.496 1.00 0.00 C ATOM 1308 C PHE A 86 5.217 -5.264 -2.345 1.00 0.00 C ATOM 1309 O PHE A 86 5.103 -4.065 -2.087 1.00 0.00 O ATOM 1310 CB PHE A 86 5.247 -7.125 -0.615 1.00 0.00 C ATOM 1311 CG PHE A 86 5.985 -8.289 0.025 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.816 -8.084 1.143 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.817 -9.594 -0.477 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.513 -9.156 1.720 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.515 -10.668 0.103 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.385 -10.446 1.183 1.00 0.00 C ATOM 0 H PHE A 86 6.565 -4.755 -0.075 1.00 0.00 H new ATOM 0 HA PHE A 86 6.662 -6.782 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.790 -6.532 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.435 -7.526 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.918 -7.093 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.151 -9.770 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.148 -8.988 2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.382 -11.668 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.953 -11.265 1.599 1.00 0.00 H new ATOM 1326 N LEU A 87 4.575 -5.858 -3.350 1.00 0.00 N ATOM 1327 CA LEU A 87 3.670 -5.279 -4.327 1.00 0.00 C ATOM 1328 C LEU A 87 2.395 -6.105 -4.229 1.00 0.00 C ATOM 1329 O LEU A 87 2.419 -7.286 -4.572 1.00 0.00 O ATOM 1330 CB LEU A 87 4.251 -5.395 -5.751 1.00 0.00 C ATOM 1331 CG LEU A 87 4.769 -4.074 -6.320 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.992 -3.523 -5.599 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.161 -4.238 -7.791 1.00 0.00 C ATOM 0 H LEU A 87 4.692 -6.858 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 87 3.501 -4.220 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.065 -6.119 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.482 -5.788 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 87 3.943 -3.375 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.296 -2.585 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.748 -3.347 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.808 -4.242 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.527 -3.287 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.945 -4.991 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.291 -4.553 -8.367 1.00 0.00 H new ATOM 1345 N LEU A 88 1.314 -5.480 -3.766 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.007 -6.100 -3.589 1.00 0.00 C ATOM 1347 C LEU A 88 -0.696 -6.457 -4.922 1.00 0.00 C ATOM 1348 O LEU A 88 -1.586 -7.300 -4.973 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.873 -5.133 -2.753 1.00 0.00 C ATOM 1350 CG LEU A 88 -1.552 -5.806 -1.549 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.049 -4.740 -0.572 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.725 -6.671 -1.996 1.00 0.00 C ATOM 0 H LEU A 88 1.329 -4.497 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 88 0.120 -7.051 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.249 -4.313 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.638 -4.696 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.818 -6.444 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.529 -5.222 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.205 -4.144 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.767 -4.092 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.187 -7.135 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.460 -6.051 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.368 -7.446 -2.674 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.219 -5.861 -6.013 1.00 0.00 N ATOM 1365 CA GLU A 89 -0.671 -5.987 -7.395 1.00 0.00 C ATOM 1366 C GLU A 89 -2.103 -5.456 -7.622 1.00 0.00 C ATOM 1367 O GLU A 89 -2.890 -5.266 -6.698 1.00 0.00 O ATOM 1368 CB GLU A 89 -0.389 -7.400 -7.914 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.238 -7.462 -9.442 1.00 0.00 C ATOM 1370 CD GLU A 89 0.407 -8.774 -9.893 1.00 0.00 C ATOM 1371 OE1 GLU A 89 1.107 -8.782 -10.928 1.00 0.00 O ATOM 1372 OE2 GLU A 89 0.218 -9.795 -9.194 1.00 0.00 O ATOM 0 H GLU A 89 0.569 -5.217 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.082 -5.318 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.522 -7.776 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.199 -8.062 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.217 -7.358 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.368 -6.622 -9.782 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.421 -5.123 -8.879 1.00 0.00 N ATOM 1380 CA ASP A 90 -3.699 -4.569 -9.359 1.00 0.00 C ATOM 1381 C ASP A 90 -4.066 -3.204 -8.749 1.00 0.00 C ATOM 1382 O ASP A 90 -5.024 -2.559 -9.179 1.00 0.00 O ATOM 1383 CB ASP A 90 -4.840 -5.608 -9.313 1.00 0.00 C ATOM 1384 CG ASP A 90 -4.856 -6.588 -10.487 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -4.355 -6.226 -11.579 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -5.419 -7.696 -10.342 1.00 0.00 O ATOM 0 H ASP A 90 -1.751 -5.240 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.545 -4.341 -10.414 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.761 -6.174 -8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.793 -5.080 -9.284 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.232 -2.638 -7.877 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.473 -1.354 -7.243 1.00 0.00 C ATOM 1393 C GLY A 91 -4.515 -1.559 -6.157 1.00 0.00 C ATOM 1394 O GLY A 91 -4.261 -2.263 -5.186 1.00 0.00 O ATOM 0 H GLY A 91 -2.355 -3.072 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.550 -0.959 -6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.823 -0.626 -7.975 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.700 -0.992 -6.326 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.799 -1.133 -5.368 1.00 0.00 C ATOM 1400 C ILE A 92 -7.877 -2.062 -5.942 1.00 0.00 C ATOM 1401 O ILE A 92 -8.761 -2.544 -5.231 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.295 0.251 -4.917 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -8.329 0.064 -3.797 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.857 1.093 -6.072 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.586 1.337 -3.009 1.00 0.00 C ATOM 0 H ILE A 92 -5.933 -0.416 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.457 -1.619 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.442 0.815 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.267 -0.284 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.983 -0.714 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.191 2.058 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.080 1.248 -6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.700 0.572 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.325 1.141 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.657 1.674 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.960 2.111 -3.679 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.803 -2.323 -7.247 1.00 0.00 N ATOM 1418 CA ASP A 93 -8.728 -3.204 -7.933 1.00 0.00 C ATOM 1419 C ASP A 93 -8.491 -4.619 -7.406 1.00 0.00 C ATOM 1420 O ASP A 93 -9.448 -5.336 -7.162 1.00 0.00 O ATOM 1421 CB ASP A 93 -8.487 -3.084 -9.437 1.00 0.00 C ATOM 1422 CG ASP A 93 -9.285 -4.075 -10.280 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -10.511 -4.227 -10.081 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -8.678 -4.611 -11.234 1.00 0.00 O ATOM 0 H ASP A 93 -7.091 -1.922 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.770 -2.941 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.737 -2.071 -9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.425 -3.228 -9.636 1.00 0.00 H new ATOM 1429 N GLY A 94 -7.229 -4.989 -7.144 1.00 0.00 N ATOM 1430 CA GLY A 94 -6.817 -6.293 -6.631 1.00 0.00 C ATOM 1431 C GLY A 94 -7.462 -6.585 -5.287 1.00 0.00 C ATOM 1432 O GLY A 94 -8.114 -7.614 -5.143 1.00 0.00 O ATOM 0 H GLY A 94 -6.440 -4.359 -7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.090 -7.070 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.732 -6.320 -6.530 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.332 -5.652 -4.336 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.903 -5.737 -2.994 1.00 0.00 C ATOM 1438 C TRP A 95 -9.372 -6.178 -3.139 1.00 0.00 C ATOM 1439 O TRP A 95 -9.815 -7.182 -2.573 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.834 -4.368 -2.315 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.694 -4.265 -1.092 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.697 -3.382 -0.927 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.708 -5.100 0.108 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.278 -3.570 0.310 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.655 -4.564 1.023 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -7.973 -6.220 0.541 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.833 -5.075 2.317 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.144 -6.751 1.831 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.084 -6.192 2.715 1.00 0.00 C ATOM 0 H TRP A 95 -6.808 -4.790 -4.489 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.349 -6.451 -2.385 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.800 -4.158 -2.041 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.137 -3.601 -3.028 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.000 -2.641 -1.652 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.075 -3.034 0.654 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.264 -6.680 -0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.536 -4.616 2.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.549 -7.595 2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.228 -6.621 3.696 1.00 0.00 H new ATOM 1460 N LYS A 96 -10.107 -5.422 -3.965 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.516 -5.627 -4.254 1.00 0.00 C ATOM 1462 C LYS A 96 -11.814 -6.898 -5.039 1.00 0.00 C ATOM 1463 O LYS A 96 -12.849 -7.507 -4.789 1.00 0.00 O ATOM 1464 CB LYS A 96 -12.060 -4.409 -5.013 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.521 -4.204 -4.613 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.209 -3.086 -5.403 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.451 -2.630 -4.639 1.00 0.00 C ATOM 1468 NZ LYS A 96 -16.390 -3.738 -4.377 1.00 0.00 N ATOM 0 H LYS A 96 -9.714 -4.624 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.014 -5.746 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.474 -3.521 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.980 -4.566 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.067 -5.136 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.571 -3.973 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.525 -2.249 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.487 -3.442 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.148 -2.183 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.960 -1.853 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.312 -3.351 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.505 -4.307 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.016 -4.337 -3.614 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.938 -7.328 -5.946 1.00 0.00 N ATOM 1483 CA LYS A 97 -11.075 -8.521 -6.786 1.00 0.00 C ATOM 1484 C LYS A 97 -11.371 -9.742 -5.920 1.00 0.00 C ATOM 1485 O LYS A 97 -12.187 -10.577 -6.297 1.00 0.00 O ATOM 1486 CB LYS A 97 -9.779 -8.657 -7.603 1.00 0.00 C ATOM 1487 CG LYS A 97 -9.827 -9.456 -8.910 1.00 0.00 C ATOM 1488 CD LYS A 97 -8.669 -8.944 -9.790 1.00 0.00 C ATOM 1489 CE LYS A 97 -8.364 -9.841 -10.987 1.00 0.00 C ATOM 1490 NZ LYS A 97 -7.280 -9.280 -11.821 1.00 0.00 N ATOM 0 H LYS A 97 -10.067 -6.828 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.915 -8.437 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.428 -7.653 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.027 -9.115 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.721 -10.523 -8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.784 -9.318 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.912 -7.944 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.772 -8.853 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.079 -10.833 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.263 -9.963 -11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.757 -10.054 -12.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.688 -8.661 -12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.632 -8.729 -11.223 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.748 -9.826 -4.741 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.951 -10.923 -3.804 1.00 0.00 C ATOM 1506 C ALA A 98 -12.372 -10.919 -3.217 1.00 0.00 C ATOM 1507 O ALA A 98 -12.869 -11.967 -2.805 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.925 -10.791 -2.676 1.00 0.00 C ATOM 0 H ALA A 98 -10.084 -9.126 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.823 -11.865 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.061 -11.604 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.919 -10.838 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.064 -9.837 -2.168 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.019 -9.751 -3.168 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.360 -9.525 -2.640 1.00 0.00 C ATOM 1516 C GLY A 99 -14.327 -8.739 -1.324 1.00 0.00 C ATOM 1517 O GLY A 99 -15.297 -8.787 -0.561 1.00 0.00 O ATOM 0 H GLY A 99 -12.594 -8.892 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.953 -8.980 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.854 -10.483 -2.479 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.233 -8.024 -1.027 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.063 -7.255 0.202 1.00 0.00 C ATOM 1523 C LEU A 100 -13.338 -5.760 -0.017 1.00 0.00 C ATOM 1524 O LEU A 100 -12.903 -5.206 -1.026 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.630 -7.452 0.704 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.336 -8.882 1.206 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -9.889 -9.311 0.940 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -11.623 -8.963 2.711 1.00 0.00 C ATOM 0 H LEU A 100 -12.428 -7.966 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.782 -7.612 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.936 -7.210 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.438 -6.747 1.513 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.985 -9.562 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.735 -10.324 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.693 -9.285 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.208 -8.630 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.416 -9.972 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.988 -8.254 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.670 -8.721 2.895 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.062 -5.077 0.891 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.364 -3.653 0.771 1.00 0.00 C ATOM 1542 C PRO A 101 -13.227 -2.786 1.328 1.00 0.00 C ATOM 1543 O PRO A 101 -12.523 -3.186 2.254 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.610 -3.469 1.642 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.399 -4.470 2.782 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.641 -5.620 2.115 1.00 0.00 C ATOM 0 HA PRO A 101 -14.501 -3.356 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.692 -2.448 2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.523 -3.680 1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.825 -4.032 3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.347 -4.805 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.864 -6.007 2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.312 -6.450 1.892 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.990 -1.598 0.769 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.967 -0.680 1.265 1.00 0.00 C ATOM 1556 C VAL A 102 -12.558 0.041 2.483 1.00 0.00 C ATOM 1557 O VAL A 102 -13.753 -0.085 2.764 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.625 0.359 0.177 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.075 -0.301 -1.084 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.828 1.251 -0.164 1.00 0.00 C ATOM 0 H VAL A 102 -13.502 -1.247 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.059 -1.222 1.528 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.844 0.996 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.847 0.465 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.167 -0.852 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.818 -0.988 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.543 1.968 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.648 0.632 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.149 1.787 0.729 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.751 0.851 3.170 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.245 1.607 4.314 1.00 0.00 C ATOM 1572 C ALA A 103 -12.990 2.839 3.774 1.00 0.00 C ATOM 1573 O ALA A 103 -12.428 3.936 3.685 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.095 1.995 5.239 1.00 0.00 C ATOM 0 H ALA A 103 -10.765 0.997 2.955 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.929 1.003 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.484 2.559 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.598 1.094 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.380 2.610 4.692 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.232 2.663 3.332 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.071 3.728 2.793 1.00 0.00 C ATOM 1582 C VAL A 104 -15.801 4.434 3.930 1.00 0.00 C ATOM 1583 O VAL A 104 -16.389 3.767 4.783 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.126 3.178 1.793 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.724 3.460 0.346 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.487 1.689 1.939 1.00 0.00 C ATOM 0 H VAL A 104 -14.694 1.754 3.339 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.419 4.423 2.265 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.030 3.726 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.484 3.062 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.634 4.536 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.767 2.983 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.231 1.420 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.593 1.082 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.893 1.509 2.934 1.00 0.00 H new ATOM 1596 N ASN A 105 -15.804 5.768 3.945 1.00 0.00 N ATOM 1597 CA ASN A 105 -16.510 6.551 4.963 1.00 0.00 C ATOM 1598 C ASN A 105 -17.959 6.710 4.456 1.00 0.00 C ATOM 1599 O ASN A 105 -18.477 7.818 4.291 1.00 0.00 O ATOM 1600 CB ASN A 105 -15.780 7.886 5.169 1.00 0.00 C ATOM 1601 CG ASN A 105 -16.188 8.580 6.454 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -15.637 8.301 7.517 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -17.115 9.517 6.381 1.00 0.00 N ATOM 0 H ASN A 105 -15.317 6.337 3.252 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.530 6.069 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -14.704 7.710 5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -15.986 8.543 4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -17.390 10.029 7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.557 9.729 5.486 1.00 0.00 H new ATOM 1610 N LYS A 106 -18.599 5.589 4.102 1.00 0.00 N ATOM 1611 CA LYS A 106 -19.954 5.496 3.568 1.00 0.00 C ATOM 1612 C LYS A 106 -20.746 4.527 4.431 1.00 0.00 C ATOM 1613 O LYS A 106 -20.408 3.340 4.488 1.00 0.00 O ATOM 1614 CB LYS A 106 -19.920 5.081 2.075 1.00 0.00 C ATOM 1615 CG LYS A 106 -20.372 6.201 1.121 1.00 0.00 C ATOM 1616 CD LYS A 106 -21.899 6.381 1.075 1.00 0.00 C ATOM 1617 CE LYS A 106 -22.542 5.402 0.081 1.00 0.00 C ATOM 1618 NZ LYS A 106 -24.005 5.303 0.257 1.00 0.00 N ATOM 0 H LYS A 106 -18.156 4.674 4.187 1.00 0.00 H new ATOM 0 HA LYS A 106 -20.449 6.466 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -18.907 4.777 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -20.561 4.211 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -19.912 7.140 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -20.008 5.982 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -22.317 6.222 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -22.139 7.405 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -22.322 5.724 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -22.096 4.415 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -24.393 4.631 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -24.217 4.970 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -24.436 6.238 0.112 1.00 0.00 H new ATOM 1632 N SER A 107 -21.743 5.037 5.146 1.00 0.00 N ATOM 1633 CA SER A 107 -22.618 4.248 6.001 1.00 0.00 C ATOM 1634 C SER A 107 -23.804 3.818 5.139 1.00 0.00 C ATOM 1635 O SER A 107 -24.458 4.670 4.525 1.00 0.00 O ATOM 1636 CB SER A 107 -23.088 5.090 7.188 1.00 0.00 C ATOM 1637 OG SER A 107 -21.980 5.562 7.928 1.00 0.00 O ATOM 0 H SER A 107 -21.969 6.032 5.146 1.00 0.00 H new ATOM 0 HA SER A 107 -22.100 3.378 6.404 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.681 5.933 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 107 -23.735 4.494 7.831 1.00 0.00 H new ATOM 0 HG SER A 107 -22.296 6.100 8.683 1.00 0.00 H new ATOM 1643 N GLN A 108 -23.976 2.510 4.943 1.00 0.00 N ATOM 1644 CA GLN A 108 -25.071 1.945 4.161 1.00 0.00 C ATOM 1645 C GLN A 108 -26.354 1.972 4.972 1.00 0.00 C ATOM 1646 O GLN A 108 -26.284 2.166 6.203 1.00 0.00 O ATOM 1647 CB GLN A 108 -24.720 0.515 3.711 1.00 0.00 C ATOM 1648 CG GLN A 108 -24.769 -0.556 4.816 1.00 0.00 C ATOM 1649 CD GLN A 108 -24.485 -1.931 4.223 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -25.301 -2.457 3.468 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -23.345 -2.536 4.495 1.00 0.00 N ATOM 0 H GLN A 108 -23.348 1.805 5.330 1.00 0.00 H new ATOM 0 HA GLN A 108 -25.224 2.548 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -25.406 0.224 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -23.719 0.523 3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -24.036 -0.326 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -25.749 -0.552 5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -22.671 -2.096 5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -23.137 -3.444 4.079 1.00 0.00 H new TER 1660 GLN A 108