USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 829 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 NoAdj-H: A 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.51) USER MOD Single : A 11 GLN : amide:sc= 0.895 K(o=0.9,f=-0.83) USER MOD Single : A 12 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.32) USER MOD Single : A 17 TYR OH : rot -20:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= 0.259 (180deg=0.133) USER MOD Single : A 24 GLN : amide:sc= -0.519 K(o=-0.52,f=-1.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.00339 USER MOD Single : A 48 TYR OH : rot 113:sc= 1.23 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 1.49 (180deg=1.48) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.228 USER MOD Single : A 69 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=-0.022) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -114:sc= 1.23 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 55:sc= 0.032 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0971 USER MOD Single : A 102 ASN : amide:sc= 0.00635 X(o=0.0064,f=-0.26) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.54 K(o=0.54,f=-3.6!) USER MOD Single : A 109 ASN : amide:sc= 1.03 K(o=1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.657 -7.839 -16.700 1.00 0.00 N ATOM 2 CA GLY A 1 -13.579 -7.103 -15.417 1.00 0.00 C ATOM 3 C GLY A 1 -14.670 -7.526 -14.460 1.00 0.00 C ATOM 4 O GLY A 1 -15.826 -7.129 -14.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.893 -7.521 -17.330 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.557 -8.859 -16.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.576 -7.654 -17.151 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.606 -7.275 -14.958 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.657 -6.032 -15.607 1.00 0.00 H new ATOM 10 N SER A 2 -14.301 -8.312 -13.468 1.00 0.00 N ATOM 11 CA SER A 2 -15.239 -8.770 -12.462 1.00 0.00 C ATOM 12 C SER A 2 -14.896 -8.151 -11.107 1.00 0.00 C ATOM 13 O SER A 2 -14.724 -6.933 -11.010 1.00 0.00 O ATOM 14 CB SER A 2 -15.217 -10.297 -12.391 1.00 0.00 C ATOM 15 OG SER A 2 -15.047 -10.864 -13.681 1.00 0.00 O ATOM 0 H SER A 2 -13.348 -8.650 -13.337 1.00 0.00 H new ATOM 0 HA SER A 2 -16.246 -8.454 -12.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.408 -10.623 -11.737 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.147 -10.658 -11.951 1.00 0.00 H new ATOM 0 HG SER A 2 -15.034 -11.841 -13.610 1.00 0.00 H new ATOM 21 N LEU A 3 -14.721 -8.983 -10.083 1.00 0.00 N ATOM 22 CA LEU A 3 -14.319 -8.490 -8.775 1.00 0.00 C ATOM 23 C LEU A 3 -12.855 -8.079 -8.793 1.00 0.00 C ATOM 24 O LEU A 3 -12.153 -8.281 -9.786 1.00 0.00 O ATOM 25 CB LEU A 3 -14.541 -9.553 -7.700 1.00 0.00 C ATOM 26 CG LEU A 3 -15.989 -10.002 -7.516 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.031 -11.366 -6.849 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.768 -8.977 -6.702 1.00 0.00 C ATOM 0 H LEU A 3 -14.851 -9.993 -10.136 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.934 -7.621 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.936 -10.426 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.174 -9.167 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.459 -10.081 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.068 -11.677 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.508 -12.092 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.547 -11.309 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.797 -9.314 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.306 -8.864 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.759 -8.018 -7.220 1.00 0.00 H new ATOM 40 N LEU A 4 -12.391 -7.517 -7.695 1.00 0.00 N ATOM 41 CA LEU A 4 -11.009 -7.093 -7.600 1.00 0.00 C ATOM 42 C LEU A 4 -10.137 -8.232 -7.105 1.00 0.00 C ATOM 43 O LEU A 4 -10.595 -9.114 -6.384 1.00 0.00 O ATOM 44 CB LEU A 4 -10.876 -5.897 -6.662 1.00 0.00 C ATOM 45 CG LEU A 4 -11.982 -4.848 -6.785 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.456 -4.412 -5.408 1.00 0.00 C ATOM 47 CD2 LEU A 4 -11.484 -3.661 -7.592 1.00 0.00 C ATOM 0 H LEU A 4 -12.949 -7.344 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.677 -6.798 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.855 -6.261 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.917 -5.414 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.832 -5.287 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.243 -3.665 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.845 -5.275 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.621 -3.983 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.278 -2.919 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.623 -3.217 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.194 -3.994 -8.588 1.00 0.00 H new ATOM 59 N THR A 5 -8.869 -8.169 -7.442 1.00 0.00 N ATOM 60 CA THR A 5 -7.907 -9.149 -6.978 1.00 0.00 C ATOM 61 C THR A 5 -6.647 -8.454 -6.496 1.00 0.00 C ATOM 62 O THR A 5 -6.182 -7.501 -7.121 1.00 0.00 O ATOM 63 CB THR A 5 -7.543 -10.153 -8.082 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.024 -9.684 -9.352 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.144 -11.512 -7.784 1.00 0.00 C ATOM 0 H THR A 5 -8.475 -7.444 -8.041 1.00 0.00 H new ATOM 0 HA THR A 5 -8.367 -9.697 -6.156 1.00 0.00 H new ATOM 0 HB THR A 5 -6.458 -10.246 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.786 -10.329 -10.050 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.876 -12.210 -8.577 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.760 -11.879 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.229 -11.426 -7.729 1.00 0.00 H new ATOM 73 N CYS A 6 -6.153 -8.879 -5.348 1.00 0.00 N ATOM 74 CA CYS A 6 -4.988 -8.265 -4.748 1.00 0.00 C ATOM 75 C CYS A 6 -3.730 -9.004 -5.184 1.00 0.00 C ATOM 76 O CYS A 6 -3.776 -10.198 -5.476 1.00 0.00 O ATOM 77 CB CYS A 6 -5.156 -8.256 -3.224 1.00 0.00 C ATOM 78 SG CYS A 6 -3.701 -8.762 -2.259 1.00 0.00 S ATOM 0 H CYS A 6 -6.545 -9.652 -4.811 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.887 -7.233 -5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.440 -7.250 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.985 -8.914 -2.966 1.00 0.00 H new ATOM 83 N GLY A 7 -2.637 -8.270 -5.322 1.00 0.00 N ATOM 84 CA GLY A 7 -1.407 -8.862 -5.807 1.00 0.00 C ATOM 85 C GLY A 7 -0.529 -9.368 -4.683 1.00 0.00 C ATOM 86 O GLY A 7 0.556 -9.897 -4.922 1.00 0.00 O ATOM 0 H GLY A 7 -2.579 -7.275 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.644 -9.687 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.857 -8.124 -6.390 1.00 0.00 H new ATOM 90 N GLY A 8 -0.992 -9.197 -3.454 1.00 0.00 N ATOM 91 CA GLY A 8 -0.236 -9.646 -2.308 1.00 0.00 C ATOM 92 C GLY A 8 -0.532 -11.090 -1.973 1.00 0.00 C ATOM 93 O GLY A 8 0.384 -11.884 -1.753 1.00 0.00 O ATOM 0 H GLY A 8 -1.883 -8.753 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.829 -9.530 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.470 -9.018 -1.449 1.00 0.00 H new ATOM 97 N CYS A 9 -1.814 -11.438 -1.971 1.00 0.00 N ATOM 98 CA CYS A 9 -2.232 -12.802 -1.688 1.00 0.00 C ATOM 99 C CYS A 9 -2.880 -13.439 -2.917 1.00 0.00 C ATOM 100 O CYS A 9 -2.771 -14.649 -3.132 1.00 0.00 O ATOM 101 CB CYS A 9 -3.201 -12.815 -0.502 1.00 0.00 C ATOM 102 SG CYS A 9 -4.786 -11.976 -0.822 1.00 0.00 S ATOM 0 H CYS A 9 -2.580 -10.793 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.351 -13.389 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.401 -13.849 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.718 -12.341 0.352 1.00 0.00 H new ATOM 107 N GLN A 10 -3.557 -12.607 -3.711 1.00 0.00 N ATOM 108 CA GLN A 10 -4.241 -13.043 -4.931 1.00 0.00 C ATOM 109 C GLN A 10 -5.457 -13.910 -4.616 1.00 0.00 C ATOM 110 O GLN A 10 -5.905 -14.693 -5.451 1.00 0.00 O ATOM 111 CB GLN A 10 -3.281 -13.790 -5.862 1.00 0.00 C ATOM 112 CG GLN A 10 -2.968 -13.033 -7.140 1.00 0.00 C ATOM 113 CD GLN A 10 -4.064 -13.162 -8.178 1.00 0.00 C ATOM 114 OE1 GLN A 10 -4.596 -14.250 -8.409 1.00 0.00 O ATOM 115 NE2 GLN A 10 -4.405 -12.056 -8.813 1.00 0.00 N ATOM 0 H GLN A 10 -3.647 -11.608 -3.526 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.592 -12.146 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.351 -13.988 -5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.714 -14.757 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.817 -11.979 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.032 -13.404 -7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.939 -11.176 -8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.134 -12.081 -9.526 1.00 0.00 H new ATOM 124 N GLN A 11 -6.023 -13.733 -3.428 1.00 0.00 N ATOM 125 CA GLN A 11 -7.194 -14.500 -3.026 1.00 0.00 C ATOM 126 C GLN A 11 -8.486 -13.734 -3.319 1.00 0.00 C ATOM 127 O GLN A 11 -9.550 -14.091 -2.815 1.00 0.00 O ATOM 128 CB GLN A 11 -7.097 -14.873 -1.540 1.00 0.00 C ATOM 129 CG GLN A 11 -7.564 -13.788 -0.578 1.00 0.00 C ATOM 130 CD GLN A 11 -7.184 -14.083 0.860 1.00 0.00 C ATOM 131 OE1 GLN A 11 -7.944 -14.706 1.604 1.00 0.00 O ATOM 132 NE2 GLN A 11 -6.006 -13.641 1.260 1.00 0.00 N ATOM 0 H GLN A 11 -5.691 -13.068 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.221 -15.419 -3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.688 -15.772 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.061 -15.123 -1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.132 -12.833 -0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.647 -13.685 -0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.407 -13.129 0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.695 -13.811 2.216 1.00 0.00 H new ATOM 141 N ASN A 12 -8.378 -12.711 -4.177 1.00 0.00 N ATOM 142 CA ASN A 12 -9.524 -11.892 -4.594 1.00 0.00 C ATOM 143 C ASN A 12 -9.986 -10.984 -3.458 1.00 0.00 C ATOM 144 O ASN A 12 -10.085 -11.409 -2.306 1.00 0.00 O ATOM 145 CB ASN A 12 -10.684 -12.773 -5.089 1.00 0.00 C ATOM 146 CG ASN A 12 -11.794 -11.980 -5.756 1.00 0.00 C ATOM 147 OD1 ASN A 12 -12.577 -11.302 -5.092 1.00 0.00 O ATOM 148 ND2 ASN A 12 -11.881 -12.077 -7.075 1.00 0.00 N ATOM 0 H ASN A 12 -7.495 -12.428 -4.601 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.199 -11.264 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.298 -13.509 -5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.097 -13.326 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.617 -11.579 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.212 -12.650 -7.589 1.00 0.00 H new ATOM 155 N ILE A 13 -10.265 -9.729 -3.775 1.00 0.00 N ATOM 156 CA ILE A 13 -10.746 -8.802 -2.771 1.00 0.00 C ATOM 157 C ILE A 13 -12.258 -8.677 -2.846 1.00 0.00 C ATOM 158 O ILE A 13 -12.793 -7.863 -3.601 1.00 0.00 O ATOM 159 CB ILE A 13 -10.116 -7.403 -2.910 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.695 -7.505 -3.452 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.116 -6.682 -1.568 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.301 -6.330 -4.316 1.00 0.00 C ATOM 0 H ILE A 13 -10.167 -9.335 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.451 -9.209 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.716 -6.828 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.999 -7.583 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.600 -8.423 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.667 -5.696 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.141 -6.575 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.540 -7.259 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.279 -6.465 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.975 -6.265 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.365 -5.412 -3.732 1.00 0.00 H new ATOM 174 N GLY A 14 -12.929 -9.420 -1.985 1.00 0.00 N ATOM 175 CA GLY A 14 -14.366 -9.313 -1.854 1.00 0.00 C ATOM 176 C GLY A 14 -14.710 -8.755 -0.500 1.00 0.00 C ATOM 177 O GLY A 14 -15.832 -8.891 -0.009 1.00 0.00 O ATOM 0 H GLY A 14 -12.498 -10.106 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.765 -8.668 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.827 -10.292 -1.982 1.00 0.00 H new ATOM 181 N ASP A 15 -13.692 -8.184 0.124 1.00 0.00 N ATOM 182 CA ASP A 15 -13.798 -7.628 1.461 1.00 0.00 C ATOM 183 C ASP A 15 -14.613 -6.346 1.439 1.00 0.00 C ATOM 184 O ASP A 15 -14.991 -5.861 0.376 1.00 0.00 O ATOM 185 CB ASP A 15 -12.403 -7.340 2.027 1.00 0.00 C ATOM 186 CG ASP A 15 -11.497 -8.559 2.024 1.00 0.00 C ATOM 187 OD1 ASP A 15 -11.100 -9.019 0.929 1.00 0.00 O ATOM 188 OD2 ASP A 15 -11.168 -9.061 3.122 1.00 0.00 O ATOM 0 H ASP A 15 -12.763 -8.093 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.300 -8.357 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.937 -6.547 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.501 -6.969 3.047 1.00 0.00 H new ATOM 193 N ARG A 16 -14.899 -5.812 2.610 1.00 0.00 N ATOM 194 CA ARG A 16 -15.689 -4.591 2.715 1.00 0.00 C ATOM 195 C ARG A 16 -14.904 -3.382 2.218 1.00 0.00 C ATOM 196 O ARG A 16 -15.457 -2.493 1.568 1.00 0.00 O ATOM 197 CB ARG A 16 -16.154 -4.351 4.157 1.00 0.00 C ATOM 198 CG ARG A 16 -15.362 -5.103 5.212 1.00 0.00 C ATOM 199 CD ARG A 16 -14.160 -4.308 5.684 1.00 0.00 C ATOM 200 NE ARG A 16 -12.922 -5.069 5.535 1.00 0.00 N ATOM 201 CZ ARG A 16 -11.702 -4.539 5.553 1.00 0.00 C ATOM 202 NH1 ARG A 16 -11.529 -3.252 5.839 1.00 0.00 N ATOM 203 NH2 ARG A 16 -10.650 -5.317 5.339 1.00 0.00 N ATOM 0 H ARG A 16 -14.599 -6.200 3.504 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.567 -4.722 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.096 -3.284 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.203 -4.635 4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -16.007 -5.326 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.030 -6.058 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.089 -3.381 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.294 -4.030 6.730 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.998 -6.078 5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.335 -2.663 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.590 -2.854 5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.780 -6.313 5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.711 -4.919 5.351 1.00 0.00 H new ATOM 217 N TYR A 17 -13.617 -3.349 2.535 1.00 0.00 N ATOM 218 CA TYR A 17 -12.770 -2.237 2.148 1.00 0.00 C ATOM 219 C TYR A 17 -11.458 -2.763 1.587 1.00 0.00 C ATOM 220 O TYR A 17 -11.029 -3.858 1.951 1.00 0.00 O ATOM 221 CB TYR A 17 -12.511 -1.346 3.362 1.00 0.00 C ATOM 222 CG TYR A 17 -12.615 0.124 3.053 1.00 0.00 C ATOM 223 CD1 TYR A 17 -13.835 0.682 2.704 1.00 0.00 C ATOM 224 CD2 TYR A 17 -11.502 0.952 3.098 1.00 0.00 C ATOM 225 CE1 TYR A 17 -13.946 2.021 2.409 1.00 0.00 C ATOM 226 CE2 TYR A 17 -11.609 2.298 2.806 1.00 0.00 C ATOM 227 CZ TYR A 17 -12.834 2.826 2.461 1.00 0.00 C ATOM 228 OH TYR A 17 -12.954 4.161 2.162 1.00 0.00 O ATOM 0 H TYR A 17 -13.139 -4.082 3.060 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.268 -1.648 1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.224 -1.597 4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.517 -1.558 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.713 0.055 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.540 0.539 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.904 2.438 2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.737 2.933 2.848 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.772 4.308 1.642 1.00 0.00 H new ATOM 238 N PHE A 18 -10.844 -2.017 0.679 1.00 0.00 N ATOM 239 CA PHE A 18 -9.605 -2.465 0.056 1.00 0.00 C ATOM 240 C PHE A 18 -8.718 -1.297 -0.355 1.00 0.00 C ATOM 241 O PHE A 18 -9.021 -0.135 -0.071 1.00 0.00 O ATOM 242 CB PHE A 18 -9.903 -3.369 -1.149 1.00 0.00 C ATOM 243 CG PHE A 18 -10.300 -2.649 -2.409 1.00 0.00 C ATOM 244 CD1 PHE A 18 -11.475 -1.917 -2.474 1.00 0.00 C ATOM 245 CD2 PHE A 18 -9.498 -2.721 -3.535 1.00 0.00 C ATOM 246 CE1 PHE A 18 -11.840 -1.271 -3.637 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.860 -2.079 -4.702 1.00 0.00 C ATOM 248 CZ PHE A 18 -11.032 -1.354 -4.752 1.00 0.00 C ATOM 0 H PHE A 18 -11.179 -1.108 0.359 1.00 0.00 H new ATOM 0 HA PHE A 18 -9.056 -3.042 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.019 -3.972 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.702 -4.058 -0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.112 -1.852 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.578 -3.286 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.757 -0.701 -3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.227 -2.144 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.317 -0.851 -5.664 1.00 0.00 H new ATOM 258 N LEU A 19 -7.584 -1.625 -0.958 1.00 0.00 N ATOM 259 CA LEU A 19 -6.592 -0.637 -1.336 1.00 0.00 C ATOM 260 C LEU A 19 -6.106 -0.872 -2.760 1.00 0.00 C ATOM 261 O LEU A 19 -5.995 -2.008 -3.200 1.00 0.00 O ATOM 262 CB LEU A 19 -5.396 -0.733 -0.389 1.00 0.00 C ATOM 263 CG LEU A 19 -5.483 0.113 0.879 1.00 0.00 C ATOM 264 CD1 LEU A 19 -4.336 -0.223 1.817 1.00 0.00 C ATOM 265 CD2 LEU A 19 -5.469 1.589 0.529 1.00 0.00 C ATOM 0 H LEU A 19 -7.329 -2.583 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.051 0.350 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.269 -1.776 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.499 -0.443 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.421 -0.113 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.411 0.388 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.385 -1.277 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.388 -0.021 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.532 2.180 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.545 1.830 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.321 1.819 -0.111 1.00 0.00 H new ATOM 277 N LYS A 20 -5.670 0.188 -3.415 1.00 0.00 N ATOM 278 CA LYS A 20 -4.987 0.078 -4.690 1.00 0.00 C ATOM 279 C LYS A 20 -3.926 1.160 -4.736 1.00 0.00 C ATOM 280 O LYS A 20 -3.947 2.060 -3.894 1.00 0.00 O ATOM 281 CB LYS A 20 -5.938 0.261 -5.876 1.00 0.00 C ATOM 282 CG LYS A 20 -7.405 0.112 -5.541 1.00 0.00 C ATOM 283 CD LYS A 20 -8.121 1.451 -5.590 1.00 0.00 C ATOM 284 CE LYS A 20 -9.453 1.347 -6.315 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.289 1.157 -7.781 1.00 0.00 N ATOM 0 H LYS A 20 -5.779 1.145 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.556 -0.920 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.776 1.250 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.680 -0.466 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.872 -0.579 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.511 -0.323 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.286 1.814 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.489 2.184 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.022 0.513 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.035 2.250 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.150 1.473 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.477 1.714 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.125 0.150 -7.984 1.00 0.00 H new ATOM 299 N ALA A 21 -3.044 1.122 -5.731 1.00 0.00 N ATOM 300 CA ALA A 21 -2.021 2.160 -5.856 1.00 0.00 C ATOM 301 C ALA A 21 -1.185 1.994 -7.114 1.00 0.00 C ATOM 302 O ALA A 21 -1.361 2.723 -8.085 1.00 0.00 O ATOM 303 CB ALA A 21 -1.107 2.146 -4.642 1.00 0.00 C ATOM 0 H ALA A 21 -3.014 0.399 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.543 3.115 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.350 2.923 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.694 2.331 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.620 1.174 -4.564 1.00 0.00 H new ATOM 309 N ILE A 22 -0.204 1.098 -7.020 1.00 0.00 N ATOM 310 CA ILE A 22 0.787 0.861 -8.074 1.00 0.00 C ATOM 311 C ILE A 22 0.172 0.909 -9.473 1.00 0.00 C ATOM 312 O ILE A 22 0.569 1.723 -10.307 1.00 0.00 O ATOM 313 CB ILE A 22 1.467 -0.508 -7.857 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.815 -0.684 -6.372 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.710 -0.638 -8.723 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.843 -1.759 -6.100 1.00 0.00 C ATOM 0 H ILE A 22 -0.071 0.507 -6.199 1.00 0.00 H new ATOM 0 HA ILE A 22 1.523 1.662 -8.010 1.00 0.00 H new ATOM 0 HB ILE A 22 0.774 -1.296 -8.152 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.185 0.264 -5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.904 -0.921 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.172 -1.611 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.433 -0.547 -9.773 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.418 0.150 -8.465 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.032 -1.819 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.469 -2.719 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.770 -1.515 -6.619 1.00 0.00 H new ATOM 328 N ASP A 23 -0.845 0.084 -9.677 1.00 0.00 N ATOM 329 CA ASP A 23 -1.583 0.025 -10.940 1.00 0.00 C ATOM 330 C ASP A 23 -2.623 -1.073 -10.855 1.00 0.00 C ATOM 331 O ASP A 23 -3.532 -1.167 -11.677 1.00 0.00 O ATOM 332 CB ASP A 23 -0.649 -0.260 -12.118 1.00 0.00 C ATOM 333 CG ASP A 23 -1.314 -0.018 -13.458 1.00 0.00 C ATOM 334 OD1 ASP A 23 -1.907 1.065 -13.648 1.00 0.00 O ATOM 335 OD2 ASP A 23 -1.229 -0.903 -14.333 1.00 0.00 O ATOM 0 H ASP A 23 -1.186 -0.568 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.058 0.992 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.236 0.371 -12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.309 -1.294 -12.066 1.00 0.00 H new ATOM 340 N GLN A 24 -2.491 -1.881 -9.820 1.00 0.00 N ATOM 341 CA GLN A 24 -3.401 -2.978 -9.578 1.00 0.00 C ATOM 342 C GLN A 24 -4.060 -2.796 -8.224 1.00 0.00 C ATOM 343 O GLN A 24 -3.879 -1.758 -7.578 1.00 0.00 O ATOM 344 CB GLN A 24 -2.660 -4.317 -9.641 1.00 0.00 C ATOM 345 CG GLN A 24 -1.334 -4.322 -8.897 1.00 0.00 C ATOM 346 CD GLN A 24 -0.149 -4.034 -9.805 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.313 -3.759 -10.995 1.00 0.00 O ATOM 348 NE2 GLN A 24 1.053 -4.096 -9.255 1.00 0.00 N ATOM 0 H GLN A 24 -1.749 -1.793 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.169 -2.983 -10.352 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.301 -5.096 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.481 -4.573 -10.685 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.366 -3.578 -8.101 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.194 -5.292 -8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.150 -4.327 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.882 -3.913 -9.820 1.00 0.00 H new ATOM 357 N TYR A 25 -4.777 -3.810 -7.777 1.00 0.00 N ATOM 358 CA TYR A 25 -5.464 -3.735 -6.498 1.00 0.00 C ATOM 359 C TYR A 25 -4.757 -4.573 -5.453 1.00 0.00 C ATOM 360 O TYR A 25 -3.960 -5.458 -5.782 1.00 0.00 O ATOM 361 CB TYR A 25 -6.922 -4.172 -6.632 1.00 0.00 C ATOM 362 CG TYR A 25 -7.593 -3.635 -7.870 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.636 -2.269 -8.126 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.164 -4.495 -8.792 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.236 -1.777 -9.268 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.762 -4.013 -9.940 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.796 -2.652 -10.173 1.00 0.00 C ATOM 368 OH TYR A 25 -9.385 -2.168 -11.317 1.00 0.00 O ATOM 0 H TYR A 25 -4.900 -4.691 -8.276 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.447 -2.694 -6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.968 -5.261 -6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.476 -3.840 -5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.193 -1.582 -7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.142 -5.559 -8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.266 -0.713 -9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.201 -4.697 -10.652 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.730 -2.915 -11.849 1.00 0.00 H new ATOM 378 N TRP A 26 -4.976 -4.218 -4.202 1.00 0.00 N ATOM 379 CA TRP A 26 -4.312 -4.857 -3.087 1.00 0.00 C ATOM 380 C TRP A 26 -5.275 -5.020 -1.918 1.00 0.00 C ATOM 381 O TRP A 26 -6.442 -4.625 -1.987 1.00 0.00 O ATOM 382 CB TRP A 26 -3.104 -4.021 -2.633 1.00 0.00 C ATOM 383 CG TRP A 26 -2.133 -3.707 -3.730 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.115 -2.594 -4.523 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.038 -4.521 -4.155 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.077 -2.672 -5.419 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.400 -3.845 -5.212 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.532 -5.755 -3.741 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.711 -4.369 -5.867 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.571 -6.273 -4.390 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.185 -5.579 -5.441 1.00 0.00 C ATOM 0 H TRP A 26 -5.622 -3.476 -3.931 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.970 -5.839 -3.413 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.463 -3.087 -2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.581 -4.557 -1.841 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.814 -1.774 -4.455 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.848 -1.971 -6.124 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.995 -6.294 -2.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.182 -3.839 -6.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.967 -7.229 -4.082 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.050 -6.008 -5.924 1.00 0.00 H new ATOM 402 N HIS A 27 -4.719 -5.425 -0.799 1.00 0.00 N ATOM 403 CA HIS A 27 -5.442 -5.457 0.459 1.00 0.00 C ATOM 404 C HIS A 27 -4.785 -4.454 1.395 1.00 0.00 C ATOM 405 O HIS A 27 -3.652 -4.040 1.144 1.00 0.00 O ATOM 406 CB HIS A 27 -5.378 -6.853 1.081 1.00 0.00 C ATOM 407 CG HIS A 27 -6.504 -7.754 0.697 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.281 -8.972 0.109 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.837 -7.587 0.864 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.465 -9.524 -0.066 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.446 -8.718 0.378 1.00 0.00 N ATOM 0 H HIS A 27 -3.752 -5.743 -0.732 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.490 -5.208 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.438 -7.323 0.791 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.363 -6.753 2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.328 -6.728 1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.626 -10.496 -0.508 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.448 -8.910 0.358 1.00 0.00 H new ATOM 419 N GLU A 28 -5.430 -4.132 2.506 1.00 0.00 N ATOM 420 CA GLU A 28 -4.833 -3.247 3.484 1.00 0.00 C ATOM 421 C GLU A 28 -3.641 -3.923 4.149 1.00 0.00 C ATOM 422 O GLU A 28 -2.575 -3.333 4.299 1.00 0.00 O ATOM 423 CB GLU A 28 -5.851 -2.872 4.551 1.00 0.00 C ATOM 424 CG GLU A 28 -7.265 -2.687 4.036 1.00 0.00 C ATOM 425 CD GLU A 28 -8.291 -3.066 5.076 1.00 0.00 C ATOM 426 OE1 GLU A 28 -8.250 -4.220 5.555 1.00 0.00 O ATOM 427 OE2 GLU A 28 -9.128 -2.217 5.436 1.00 0.00 O ATOM 0 H GLU A 28 -6.361 -4.470 2.749 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.500 -2.346 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.856 -3.646 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.530 -1.948 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.412 -1.648 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.410 -3.295 3.143 1.00 0.00 H new ATOM 434 N ASP A 29 -3.865 -5.144 4.608 1.00 0.00 N ATOM 435 CA ASP A 29 -2.853 -5.884 5.356 1.00 0.00 C ATOM 436 C ASP A 29 -1.964 -6.721 4.441 1.00 0.00 C ATOM 437 O ASP A 29 -1.103 -7.470 4.908 1.00 0.00 O ATOM 438 CB ASP A 29 -3.531 -6.785 6.391 1.00 0.00 C ATOM 439 CG ASP A 29 -2.707 -6.966 7.649 1.00 0.00 C ATOM 440 OD1 ASP A 29 -2.381 -5.949 8.305 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.389 -8.124 7.997 1.00 0.00 O ATOM 0 H ASP A 29 -4.742 -5.648 4.476 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.215 -5.157 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.499 -6.360 6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.722 -7.761 5.945 1.00 0.00 H new ATOM 446 N CYS A 30 -2.157 -6.582 3.139 1.00 0.00 N ATOM 447 CA CYS A 30 -1.366 -7.330 2.173 1.00 0.00 C ATOM 448 C CYS A 30 -0.240 -6.479 1.602 1.00 0.00 C ATOM 449 O CYS A 30 0.892 -6.949 1.475 1.00 0.00 O ATOM 450 CB CYS A 30 -2.244 -7.833 1.035 1.00 0.00 C ATOM 451 SG CYS A 30 -3.038 -9.445 1.347 1.00 0.00 S ATOM 0 H CYS A 30 -2.852 -5.960 2.727 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.930 -8.180 2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.019 -7.093 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.638 -7.910 0.132 1.00 0.00 H new ATOM 456 N LEU A 31 -0.572 -5.268 1.167 1.00 0.00 N ATOM 457 CA LEU A 31 0.408 -4.399 0.529 1.00 0.00 C ATOM 458 C LEU A 31 1.504 -3.994 1.510 1.00 0.00 C ATOM 459 O LEU A 31 1.397 -2.993 2.219 1.00 0.00 O ATOM 460 CB LEU A 31 -0.258 -3.153 -0.067 1.00 0.00 C ATOM 461 CG LEU A 31 0.668 -2.259 -0.902 1.00 0.00 C ATOM 462 CD1 LEU A 31 1.506 -3.082 -1.870 1.00 0.00 C ATOM 463 CD2 LEU A 31 -0.140 -1.219 -1.660 1.00 0.00 C ATOM 0 H LEU A 31 -1.507 -4.868 1.244 1.00 0.00 H new ATOM 0 HA LEU A 31 0.864 -4.964 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.093 -3.470 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.676 -2.559 0.746 1.00 0.00 H new ATOM 0 HG LEU A 31 1.346 -1.750 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.151 -2.419 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.119 -3.789 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.849 -3.628 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.532 -0.593 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.844 -1.719 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.689 -0.598 -0.952 1.00 0.00 H new ATOM 475 N SER A 32 2.582 -4.755 1.487 1.00 0.00 N ATOM 476 CA SER A 32 3.757 -4.468 2.282 1.00 0.00 C ATOM 477 C SER A 32 4.979 -4.557 1.382 1.00 0.00 C ATOM 478 O SER A 32 4.853 -4.914 0.206 1.00 0.00 O ATOM 479 CB SER A 32 3.861 -5.459 3.445 1.00 0.00 C ATOM 480 OG SER A 32 2.622 -6.113 3.668 1.00 0.00 O ATOM 0 H SER A 32 2.666 -5.594 0.913 1.00 0.00 H new ATOM 0 HA SER A 32 3.691 -3.466 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.633 -6.198 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.167 -4.933 4.349 1.00 0.00 H new ATOM 0 HG SER A 32 2.714 -6.742 4.414 1.00 0.00 H new ATOM 486 N CYS A 33 6.145 -4.206 1.893 1.00 0.00 N ATOM 487 CA CYS A 33 7.338 -4.238 1.098 1.00 0.00 C ATOM 488 C CYS A 33 7.835 -5.677 0.921 1.00 0.00 C ATOM 489 O CYS A 33 7.234 -6.618 1.446 1.00 0.00 O ATOM 490 CB CYS A 33 8.395 -3.352 1.725 1.00 0.00 C ATOM 491 SG CYS A 33 8.901 -3.822 3.398 1.00 0.00 S ATOM 0 H CYS A 33 6.281 -3.897 2.855 1.00 0.00 H new ATOM 0 HA CYS A 33 7.116 -3.851 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.275 -3.354 1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.020 -2.329 1.750 1.00 0.00 H new ATOM 496 N ASP A 34 8.793 -5.854 0.023 1.00 0.00 N ATOM 497 CA ASP A 34 9.224 -7.186 -0.394 1.00 0.00 C ATOM 498 C ASP A 34 9.830 -8.009 0.739 1.00 0.00 C ATOM 499 O ASP A 34 9.445 -9.159 0.943 1.00 0.00 O ATOM 500 CB ASP A 34 10.228 -7.097 -1.544 1.00 0.00 C ATOM 501 CG ASP A 34 10.242 -8.359 -2.384 1.00 0.00 C ATOM 502 OD1 ASP A 34 9.274 -8.584 -3.138 1.00 0.00 O ATOM 503 OD2 ASP A 34 11.211 -9.141 -2.278 1.00 0.00 O ATOM 0 H ASP A 34 9.290 -5.090 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 34 8.320 -7.699 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.981 -6.244 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.225 -6.918 -1.142 1.00 0.00 H new ATOM 508 N LEU A 35 10.889 -7.506 1.351 1.00 0.00 N ATOM 509 CA LEU A 35 11.648 -8.316 2.299 1.00 0.00 C ATOM 510 C LEU A 35 11.108 -8.205 3.722 1.00 0.00 C ATOM 511 O LEU A 35 10.706 -9.210 4.312 1.00 0.00 O ATOM 512 CB LEU A 35 13.126 -7.930 2.264 1.00 0.00 C ATOM 513 CG LEU A 35 14.074 -8.896 2.975 1.00 0.00 C ATOM 514 CD1 LEU A 35 13.894 -10.313 2.445 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.515 -8.442 2.808 1.00 0.00 C ATOM 0 H LEU A 35 11.241 -6.558 1.215 1.00 0.00 H new ATOM 0 HA LEU A 35 11.538 -9.356 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.437 -7.843 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.237 -6.943 2.713 1.00 0.00 H new ATOM 0 HG LEU A 35 13.832 -8.897 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.578 -10.985 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.867 -10.637 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.108 -10.332 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.178 -9.140 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.767 -8.413 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.635 -7.447 3.237 1.00 0.00 H new ATOM 527 N CYS A 36 11.136 -7.006 4.291 1.00 0.00 N ATOM 528 CA CYS A 36 10.688 -6.814 5.664 1.00 0.00 C ATOM 529 C CYS A 36 9.193 -7.101 5.786 1.00 0.00 C ATOM 530 O CYS A 36 8.781 -7.945 6.585 1.00 0.00 O ATOM 531 CB CYS A 36 11.024 -5.400 6.133 1.00 0.00 C ATOM 532 SG CYS A 36 12.302 -4.583 5.121 1.00 0.00 S ATOM 0 H CYS A 36 11.462 -6.158 3.827 1.00 0.00 H new ATOM 0 HA CYS A 36 11.213 -7.518 6.309 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.117 -4.795 6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.362 -5.440 7.168 1.00 0.00 H new ATOM 537 N GLY A 37 8.415 -6.501 4.897 1.00 0.00 N ATOM 538 CA GLY A 37 7.003 -6.810 4.807 1.00 0.00 C ATOM 539 C GLY A 37 6.214 -6.401 6.035 1.00 0.00 C ATOM 540 O GLY A 37 5.347 -7.144 6.496 1.00 0.00 O ATOM 0 H GLY A 37 8.740 -5.800 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.585 -6.310 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.883 -7.882 4.649 1.00 0.00 H new ATOM 544 N CYS A 38 6.453 -5.195 6.521 1.00 0.00 N ATOM 545 CA CYS A 38 5.685 -4.669 7.640 1.00 0.00 C ATOM 546 C CYS A 38 4.495 -3.870 7.119 1.00 0.00 C ATOM 547 O CYS A 38 3.403 -4.408 6.938 1.00 0.00 O ATOM 548 CB CYS A 38 6.570 -3.793 8.530 1.00 0.00 C ATOM 549 SG CYS A 38 8.339 -3.951 8.192 1.00 0.00 S ATOM 0 H CYS A 38 7.169 -4.563 6.162 1.00 0.00 H new ATOM 0 HA CYS A 38 5.316 -5.501 8.239 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.278 -2.751 8.402 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.386 -4.050 9.573 1.00 0.00 H new ATOM 0 HG CYS A 38 9.005 -3.172 8.992 1.00 0.00 H new ATOM 555 N ARG A 39 4.752 -2.624 6.759 1.00 0.00 N ATOM 556 CA ARG A 39 3.747 -1.773 6.141 1.00 0.00 C ATOM 557 C ARG A 39 4.443 -0.746 5.263 1.00 0.00 C ATOM 558 O ARG A 39 5.617 -0.908 4.937 1.00 0.00 O ATOM 559 CB ARG A 39 2.892 -1.075 7.204 1.00 0.00 C ATOM 560 CG ARG A 39 1.520 -1.700 7.396 1.00 0.00 C ATOM 561 CD ARG A 39 0.696 -1.650 6.121 1.00 0.00 C ATOM 562 NE ARG A 39 -0.734 -1.796 6.391 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.614 -0.793 6.324 1.00 0.00 C ATOM 564 NH1 ARG A 39 -1.215 0.428 5.995 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.893 -1.012 6.594 1.00 0.00 N ATOM 0 H ARG A 39 5.659 -2.174 6.886 1.00 0.00 H new ATOM 0 HA ARG A 39 3.083 -2.387 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.425 -1.093 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.768 -0.028 6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.634 -2.736 7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.990 -1.177 8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.874 -0.704 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.021 -2.443 5.447 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.081 -2.721 6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.231 0.606 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.892 1.190 5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.207 -1.947 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.564 -0.245 6.542 1.00 0.00 H new ATOM 579 N LEU A 40 3.749 0.322 4.911 1.00 0.00 N ATOM 580 CA LEU A 40 4.345 1.369 4.097 1.00 0.00 C ATOM 581 C LEU A 40 4.336 2.697 4.851 1.00 0.00 C ATOM 582 O LEU A 40 3.420 2.978 5.621 1.00 0.00 O ATOM 583 CB LEU A 40 3.599 1.502 2.762 1.00 0.00 C ATOM 584 CG LEU A 40 3.206 0.178 2.087 1.00 0.00 C ATOM 585 CD1 LEU A 40 2.207 0.429 0.969 1.00 0.00 C ATOM 586 CD2 LEU A 40 4.438 -0.551 1.553 1.00 0.00 C ATOM 0 H LEU A 40 2.777 0.488 5.174 1.00 0.00 H new ATOM 0 HA LEU A 40 5.380 1.098 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.694 2.087 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.223 2.070 2.072 1.00 0.00 H new ATOM 0 HG LEU A 40 2.736 -0.459 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.939 -0.518 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.312 0.897 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.653 1.088 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.132 -1.484 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.944 0.078 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.118 -0.767 2.377 1.00 0.00 H new ATOM 598 N GLY A 41 5.373 3.495 4.655 1.00 0.00 N ATOM 599 CA GLY A 41 5.473 4.769 5.344 1.00 0.00 C ATOM 600 C GLY A 41 4.956 5.917 4.501 1.00 0.00 C ATOM 601 O GLY A 41 5.571 6.980 4.433 1.00 0.00 O ATOM 0 H GLY A 41 6.151 3.285 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.909 4.722 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.513 4.956 5.610 1.00 0.00 H new ATOM 605 N GLU A 42 3.831 5.688 3.845 1.00 0.00 N ATOM 606 CA GLU A 42 3.234 6.688 2.968 1.00 0.00 C ATOM 607 C GLU A 42 2.573 7.791 3.778 1.00 0.00 C ATOM 608 O GLU A 42 1.723 7.513 4.626 1.00 0.00 O ATOM 609 CB GLU A 42 2.198 6.056 2.029 1.00 0.00 C ATOM 610 CG GLU A 42 1.749 4.649 2.406 1.00 0.00 C ATOM 611 CD GLU A 42 0.666 4.646 3.463 1.00 0.00 C ATOM 612 OE1 GLU A 42 -0.276 5.455 3.358 1.00 0.00 O ATOM 613 OE2 GLU A 42 0.750 3.832 4.405 1.00 0.00 O ATOM 0 H GLU A 42 3.308 4.814 3.902 1.00 0.00 H new ATOM 0 HA GLU A 42 4.038 7.115 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.321 6.702 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.614 6.029 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.383 4.138 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.607 4.083 2.769 1.00 0.00 H new ATOM 620 N VAL A 43 2.926 9.042 3.501 1.00 0.00 N ATOM 621 CA VAL A 43 2.293 10.151 4.197 1.00 0.00 C ATOM 622 C VAL A 43 2.083 11.374 3.298 1.00 0.00 C ATOM 623 O VAL A 43 1.495 12.358 3.751 1.00 0.00 O ATOM 624 CB VAL A 43 3.110 10.596 5.437 1.00 0.00 C ATOM 625 CG1 VAL A 43 2.711 9.797 6.669 1.00 0.00 C ATOM 626 CG2 VAL A 43 4.605 10.472 5.182 1.00 0.00 C ATOM 0 H VAL A 43 3.632 9.308 2.814 1.00 0.00 H new ATOM 0 HA VAL A 43 1.321 9.771 4.510 1.00 0.00 H new ATOM 0 HB VAL A 43 2.883 11.646 5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.299 10.129 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.652 9.951 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.896 8.738 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.153 10.791 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.851 9.434 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.883 11.102 4.337 1.00 0.00 H new ATOM 636 N GLY A 44 2.407 11.280 2.005 1.00 0.00 N ATOM 637 CA GLY A 44 2.047 12.375 1.116 1.00 0.00 C ATOM 638 C GLY A 44 2.908 12.538 -0.136 1.00 0.00 C ATOM 639 O GLY A 44 2.868 13.603 -0.756 1.00 0.00 O ATOM 0 H GLY A 44 2.894 10.496 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.012 12.237 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.088 13.305 1.683 1.00 0.00 H new ATOM 643 N ARG A 45 3.782 11.590 -0.457 1.00 0.00 N ATOM 644 CA ARG A 45 4.712 11.811 -1.563 1.00 0.00 C ATOM 645 C ARG A 45 4.388 10.950 -2.778 1.00 0.00 C ATOM 646 O ARG A 45 3.580 11.334 -3.619 1.00 0.00 O ATOM 647 CB ARG A 45 6.152 11.568 -1.110 1.00 0.00 C ATOM 648 CG ARG A 45 7.165 12.506 -1.747 1.00 0.00 C ATOM 649 CD ARG A 45 8.494 12.456 -1.010 1.00 0.00 C ATOM 650 NE ARG A 45 8.305 12.491 0.441 1.00 0.00 N ATOM 651 CZ ARG A 45 9.280 12.309 1.335 1.00 0.00 C ATOM 652 NH1 ARG A 45 10.520 12.045 0.939 1.00 0.00 N ATOM 653 NH2 ARG A 45 9.005 12.383 2.632 1.00 0.00 N ATOM 0 H ARG A 45 3.868 10.689 0.014 1.00 0.00 H new ATOM 0 HA ARG A 45 4.601 12.852 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.204 11.674 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.427 10.539 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.314 12.231 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.778 13.525 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.030 11.548 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.114 13.298 -1.318 1.00 0.00 H new ATOM 0 HE ARG A 45 7.364 12.666 0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.735 11.980 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.258 11.908 1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.053 12.578 2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.746 12.245 3.319 1.00 0.00 H new ATOM 667 N ARG A 46 5.096 9.839 -2.919 1.00 0.00 N ATOM 668 CA ARG A 46 4.983 9.008 -4.112 1.00 0.00 C ATOM 669 C ARG A 46 5.206 7.541 -3.776 1.00 0.00 C ATOM 670 O ARG A 46 5.884 7.225 -2.808 1.00 0.00 O ATOM 671 CB ARG A 46 5.999 9.459 -5.163 1.00 0.00 C ATOM 672 CG ARG A 46 7.445 9.303 -4.715 1.00 0.00 C ATOM 673 CD ARG A 46 8.322 8.753 -5.827 1.00 0.00 C ATOM 674 NE ARG A 46 7.830 7.478 -6.352 1.00 0.00 N ATOM 675 CZ ARG A 46 7.958 7.100 -7.623 1.00 0.00 C ATOM 676 NH1 ARG A 46 8.518 7.920 -8.505 1.00 0.00 N ATOM 677 NH2 ARG A 46 7.513 5.909 -8.012 1.00 0.00 N ATOM 0 H ARG A 46 5.755 9.491 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 46 3.975 9.121 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.846 8.883 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.814 10.504 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.832 10.269 -4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.489 8.637 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.374 9.480 -6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.337 8.620 -5.453 1.00 0.00 H new ATOM 0 HE ARG A 46 7.362 6.842 -5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.850 8.838 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.617 7.632 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.073 5.284 -7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.612 5.621 -8.985 1.00 0.00 H new ATOM 691 N LEU A 47 4.650 6.658 -4.595 1.00 0.00 N ATOM 692 CA LEU A 47 4.755 5.221 -4.373 1.00 0.00 C ATOM 693 C LEU A 47 6.179 4.718 -4.605 1.00 0.00 C ATOM 694 O LEU A 47 6.645 4.641 -5.742 1.00 0.00 O ATOM 695 CB LEU A 47 3.768 4.475 -5.283 1.00 0.00 C ATOM 696 CG LEU A 47 3.742 2.952 -5.116 1.00 0.00 C ATOM 697 CD1 LEU A 47 2.453 2.501 -4.442 1.00 0.00 C ATOM 698 CD2 LEU A 47 3.905 2.269 -6.461 1.00 0.00 C ATOM 0 H LEU A 47 4.117 6.914 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 47 4.503 5.023 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.766 4.861 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.011 4.706 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 47 4.577 2.666 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.459 1.416 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.376 2.962 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.600 2.801 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.884 1.188 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.091 2.567 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.857 2.561 -6.904 1.00 0.00 H new ATOM 710 N TYR A 48 6.850 4.361 -3.518 1.00 0.00 N ATOM 711 CA TYR A 48 8.196 3.808 -3.584 1.00 0.00 C ATOM 712 C TYR A 48 8.136 2.339 -3.994 1.00 0.00 C ATOM 713 O TYR A 48 7.566 1.515 -3.277 1.00 0.00 O ATOM 714 CB TYR A 48 8.881 3.923 -2.218 1.00 0.00 C ATOM 715 CG TYR A 48 9.703 5.178 -2.021 1.00 0.00 C ATOM 716 CD1 TYR A 48 9.164 6.444 -2.236 1.00 0.00 C ATOM 717 CD2 TYR A 48 11.019 5.092 -1.598 1.00 0.00 C ATOM 718 CE1 TYR A 48 9.918 7.584 -2.031 1.00 0.00 C ATOM 719 CE2 TYR A 48 11.779 6.224 -1.395 1.00 0.00 C ATOM 720 CZ TYR A 48 11.226 7.468 -1.611 1.00 0.00 C ATOM 721 OH TYR A 48 11.984 8.599 -1.394 1.00 0.00 O ATOM 0 H TYR A 48 6.480 4.446 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 48 8.767 4.370 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.118 3.880 -1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.528 3.057 -2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.141 6.536 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.458 4.121 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.485 8.559 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.804 6.136 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 48 12.184 8.680 -0.438 1.00 0.00 H new ATOM 731 N TYR A 49 8.689 2.011 -5.151 1.00 0.00 N ATOM 732 CA TYR A 49 8.701 0.632 -5.621 1.00 0.00 C ATOM 733 C TYR A 49 9.760 0.443 -6.704 1.00 0.00 C ATOM 734 O TYR A 49 10.271 1.418 -7.259 1.00 0.00 O ATOM 735 CB TYR A 49 7.302 0.217 -6.117 1.00 0.00 C ATOM 736 CG TYR A 49 7.011 0.524 -7.571 1.00 0.00 C ATOM 737 CD1 TYR A 49 7.064 1.824 -8.061 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.665 -0.494 -8.449 1.00 0.00 C ATOM 739 CE1 TYR A 49 6.785 2.097 -9.388 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.383 -0.229 -9.776 1.00 0.00 C ATOM 741 CZ TYR A 49 6.448 1.068 -10.242 1.00 0.00 C ATOM 742 OH TYR A 49 6.170 1.338 -11.564 1.00 0.00 O ATOM 0 H TYR A 49 9.135 2.678 -5.781 1.00 0.00 H new ATOM 0 HA TYR A 49 8.962 -0.019 -4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.182 -0.855 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.554 0.716 -5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.327 2.633 -7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.615 -1.511 -8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.831 3.112 -9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.113 -1.033 -10.445 1.00 0.00 H new ATOM 0 HH TYR A 49 5.952 0.504 -12.029 1.00 0.00 H new ATOM 752 N LYS A 50 10.080 -0.807 -7.005 1.00 0.00 N ATOM 753 CA LYS A 50 11.050 -1.125 -8.041 1.00 0.00 C ATOM 754 C LYS A 50 10.329 -1.493 -9.330 1.00 0.00 C ATOM 755 O LYS A 50 9.125 -1.714 -9.308 1.00 0.00 O ATOM 756 CB LYS A 50 11.952 -2.272 -7.593 1.00 0.00 C ATOM 757 CG LYS A 50 13.372 -1.833 -7.272 1.00 0.00 C ATOM 758 CD LYS A 50 14.286 -3.021 -7.030 1.00 0.00 C ATOM 759 CE LYS A 50 15.624 -2.842 -7.728 1.00 0.00 C ATOM 760 NZ LYS A 50 16.386 -4.115 -7.800 1.00 0.00 N ATOM 0 H LYS A 50 9.678 -1.622 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 50 11.672 -0.248 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.517 -2.743 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.982 -3.029 -8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.763 -1.235 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.364 -1.194 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.446 -3.146 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.805 -3.931 -7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.460 -2.460 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.214 -2.095 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.292 -3.950 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.565 -4.467 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.835 -4.820 -8.329 1.00 0.00 H new ATOM 774 N LEU A 51 11.071 -1.509 -10.437 1.00 0.00 N ATOM 775 CA LEU A 51 10.533 -1.757 -11.789 1.00 0.00 C ATOM 776 C LEU A 51 9.315 -2.695 -11.814 1.00 0.00 C ATOM 777 O LEU A 51 8.293 -2.374 -12.423 1.00 0.00 O ATOM 778 CB LEU A 51 11.641 -2.293 -12.706 1.00 0.00 C ATOM 779 CG LEU A 51 12.032 -3.762 -12.509 1.00 0.00 C ATOM 780 CD1 LEU A 51 12.793 -4.268 -13.719 1.00 0.00 C ATOM 781 CD2 LEU A 51 12.866 -3.936 -11.249 1.00 0.00 C ATOM 0 H LEU A 51 12.078 -1.349 -10.428 1.00 0.00 H new ATOM 0 HA LEU A 51 10.175 -0.795 -12.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.324 -2.159 -13.740 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.531 -1.680 -12.563 1.00 0.00 H new ATOM 0 HG LEU A 51 11.120 -4.348 -12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.065 -5.312 -13.567 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.165 -4.182 -14.606 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.697 -3.674 -13.855 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.131 -4.987 -11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.774 -3.339 -11.329 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.291 -3.607 -10.384 1.00 0.00 H new ATOM 793 N GLY A 52 9.407 -3.831 -11.135 1.00 0.00 N ATOM 794 CA GLY A 52 8.291 -4.754 -11.088 1.00 0.00 C ATOM 795 C GLY A 52 8.142 -5.392 -9.726 1.00 0.00 C ATOM 796 O GLY A 52 7.643 -6.512 -9.604 1.00 0.00 O ATOM 0 H GLY A 52 10.233 -4.129 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.372 -4.226 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.431 -5.531 -11.839 1.00 0.00 H new ATOM 800 N ARG A 53 8.604 -4.692 -8.699 1.00 0.00 N ATOM 801 CA ARG A 53 8.547 -5.209 -7.338 1.00 0.00 C ATOM 802 C ARG A 53 8.089 -4.129 -6.369 1.00 0.00 C ATOM 803 O ARG A 53 8.660 -3.040 -6.328 1.00 0.00 O ATOM 804 CB ARG A 53 9.917 -5.738 -6.903 1.00 0.00 C ATOM 805 CG ARG A 53 10.579 -6.650 -7.921 1.00 0.00 C ATOM 806 CD ARG A 53 11.141 -7.901 -7.268 1.00 0.00 C ATOM 807 NE ARG A 53 11.995 -8.658 -8.182 1.00 0.00 N ATOM 808 CZ ARG A 53 12.280 -9.952 -8.033 1.00 0.00 C ATOM 809 NH1 ARG A 53 11.746 -10.641 -7.034 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.090 -10.557 -8.890 1.00 0.00 N ATOM 0 H ARG A 53 9.022 -3.765 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 53 7.827 -6.027 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.576 -4.892 -6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.804 -6.280 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.854 -6.932 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.380 -6.111 -8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.714 -7.622 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.320 -8.534 -6.930 1.00 0.00 H new ATOM 0 HE ARG A 53 12.397 -8.167 -8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.115 -10.181 -6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.966 -11.631 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.496 -10.033 -9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.307 -11.547 -8.775 1.00 0.00 H new ATOM 824 N LYS A 54 7.109 -4.462 -5.547 1.00 0.00 N ATOM 825 CA LYS A 54 6.628 -3.545 -4.525 1.00 0.00 C ATOM 826 C LYS A 54 7.414 -3.747 -3.235 1.00 0.00 C ATOM 827 O LYS A 54 7.180 -4.704 -2.490 1.00 0.00 O ATOM 828 CB LYS A 54 5.129 -3.749 -4.270 1.00 0.00 C ATOM 829 CG LYS A 54 4.658 -5.188 -4.440 1.00 0.00 C ATOM 830 CD LYS A 54 4.051 -5.731 -3.156 1.00 0.00 C ATOM 831 CE LYS A 54 4.642 -7.082 -2.791 1.00 0.00 C ATOM 832 NZ LYS A 54 5.684 -6.969 -1.736 1.00 0.00 N ATOM 0 H LYS A 54 6.629 -5.362 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 54 6.777 -2.525 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.896 -3.419 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.566 -3.111 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.921 -5.238 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.498 -5.814 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.224 -5.025 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.971 -5.824 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.847 -7.744 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.075 -7.540 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.108 -7.903 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.422 -6.305 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.252 -6.619 -0.857 1.00 0.00 H new ATOM 846 N LEU A 55 8.392 -2.888 -3.013 1.00 0.00 N ATOM 847 CA LEU A 55 9.260 -3.004 -1.854 1.00 0.00 C ATOM 848 C LEU A 55 9.555 -1.632 -1.265 1.00 0.00 C ATOM 849 O LEU A 55 9.187 -0.610 -1.848 1.00 0.00 O ATOM 850 CB LEU A 55 10.561 -3.734 -2.235 1.00 0.00 C ATOM 851 CG LEU A 55 11.679 -2.877 -2.845 1.00 0.00 C ATOM 852 CD1 LEU A 55 12.899 -3.736 -3.139 1.00 0.00 C ATOM 853 CD2 LEU A 55 11.212 -2.186 -4.116 1.00 0.00 C ATOM 0 H LEU A 55 8.606 -2.099 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 55 8.749 -3.592 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.953 -4.219 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.313 -4.524 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 55 11.947 -2.109 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.685 -3.116 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.259 -4.185 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.629 -4.523 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.026 -1.587 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.911 -2.935 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.364 -1.540 -3.888 1.00 0.00 H new ATOM 865 N CYS A 56 10.222 -1.612 -0.123 1.00 0.00 N ATOM 866 CA CYS A 56 10.580 -0.365 0.512 1.00 0.00 C ATOM 867 C CYS A 56 11.891 0.138 -0.044 1.00 0.00 C ATOM 868 O CYS A 56 12.493 -0.486 -0.914 1.00 0.00 O ATOM 869 CB CYS A 56 10.689 -0.524 2.032 1.00 0.00 C ATOM 870 SG CYS A 56 12.056 -1.584 2.589 1.00 0.00 S ATOM 0 H CYS A 56 10.524 -2.447 0.379 1.00 0.00 H new ATOM 0 HA CYS A 56 9.792 0.358 0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.807 0.463 2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.752 -0.935 2.409 1.00 0.00 H new ATOM 875 N ARG A 57 12.381 1.204 0.540 1.00 0.00 N ATOM 876 CA ARG A 57 13.692 1.719 0.178 1.00 0.00 C ATOM 877 C ARG A 57 14.754 1.095 1.075 1.00 0.00 C ATOM 878 O ARG A 57 15.953 1.207 0.820 1.00 0.00 O ATOM 879 CB ARG A 57 13.726 3.245 0.291 1.00 0.00 C ATOM 880 CG ARG A 57 14.484 3.928 -0.839 1.00 0.00 C ATOM 881 CD ARG A 57 15.970 4.020 -0.534 1.00 0.00 C ATOM 882 NE ARG A 57 16.507 5.364 -0.755 1.00 0.00 N ATOM 883 CZ ARG A 57 17.715 5.607 -1.260 1.00 0.00 C ATOM 884 NH1 ARG A 57 18.485 4.600 -1.657 1.00 0.00 N ATOM 885 NH2 ARG A 57 18.154 6.854 -1.367 1.00 0.00 N ATOM 0 H ARG A 57 11.899 1.735 1.266 1.00 0.00 H new ATOM 0 HA ARG A 57 13.899 1.454 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.703 3.622 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.184 3.520 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.335 3.374 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.081 4.928 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 57 16.143 3.729 0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 57 16.510 3.309 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 57 15.921 6.161 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.151 3.640 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.410 4.787 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 57 17.566 7.630 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.080 7.037 -1.754 1.00 0.00 H new ATOM 899 N ARG A 58 14.299 0.463 2.144 1.00 0.00 N ATOM 900 CA ARG A 58 15.183 -0.124 3.127 1.00 0.00 C ATOM 901 C ARG A 58 15.680 -1.493 2.699 1.00 0.00 C ATOM 902 O ARG A 58 16.888 -1.743 2.671 1.00 0.00 O ATOM 903 CB ARG A 58 14.463 -0.217 4.467 1.00 0.00 C ATOM 904 CG ARG A 58 14.266 1.139 5.104 1.00 0.00 C ATOM 905 CD ARG A 58 12.983 1.795 4.643 1.00 0.00 C ATOM 906 NE ARG A 58 12.936 3.204 5.025 1.00 0.00 N ATOM 907 CZ ARG A 58 12.003 3.733 5.809 1.00 0.00 C ATOM 908 NH1 ARG A 58 11.066 2.965 6.350 1.00 0.00 N ATOM 909 NH2 ARG A 58 12.034 5.028 6.077 1.00 0.00 N ATOM 0 H ARG A 58 13.307 0.345 2.351 1.00 0.00 H new ATOM 0 HA ARG A 58 16.057 0.520 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.493 -0.694 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.035 -0.854 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.250 1.032 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 58 15.111 1.782 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.897 1.707 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.130 1.271 5.074 1.00 0.00 H new ATOM 0 HE ARG A 58 13.665 3.821 4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.059 1.962 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.353 3.378 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.771 5.613 5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.321 5.442 6.678 1.00 0.00 H new ATOM 923 N ASP A 59 14.760 -2.370 2.330 1.00 0.00 N ATOM 924 CA ASP A 59 15.136 -3.699 1.877 1.00 0.00 C ATOM 925 C ASP A 59 15.546 -3.663 0.413 1.00 0.00 C ATOM 926 O ASP A 59 16.256 -4.549 -0.061 1.00 0.00 O ATOM 927 CB ASP A 59 14.032 -4.741 2.153 1.00 0.00 C ATOM 928 CG ASP A 59 12.752 -4.585 1.338 1.00 0.00 C ATOM 929 OD1 ASP A 59 12.838 -4.415 0.102 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.652 -4.748 1.924 1.00 0.00 O ATOM 0 H ASP A 59 13.756 -2.188 2.335 1.00 0.00 H new ATOM 0 HA ASP A 59 16.001 -4.021 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.441 -5.734 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.774 -4.697 3.211 1.00 0.00 H new ATOM 935 N TYR A 60 15.285 -2.526 -0.223 1.00 0.00 N ATOM 936 CA TYR A 60 15.831 -2.250 -1.543 1.00 0.00 C ATOM 937 C TYR A 60 17.319 -1.963 -1.399 1.00 0.00 C ATOM 938 O TYR A 60 18.125 -2.355 -2.241 1.00 0.00 O ATOM 939 CB TYR A 60 15.096 -1.063 -2.189 1.00 0.00 C ATOM 940 CG TYR A 60 15.972 -0.081 -2.950 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.603 0.974 -2.297 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.148 -0.196 -4.325 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.377 1.881 -2.989 1.00 0.00 C ATOM 944 CE2 TYR A 60 16.930 0.709 -5.024 1.00 0.00 C ATOM 945 CZ TYR A 60 17.541 1.744 -4.349 1.00 0.00 C ATOM 946 OH TYR A 60 18.311 2.654 -5.038 1.00 0.00 O ATOM 0 H TYR A 60 14.699 -1.782 0.156 1.00 0.00 H new ATOM 0 HA TYR A 60 15.692 -3.113 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.342 -1.454 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.566 -0.519 -1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.484 1.084 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.667 -1.004 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.853 2.697 -2.466 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.060 0.604 -6.091 1.00 0.00 H new ATOM 0 HH TYR A 60 18.327 2.416 -5.988 1.00 0.00 H new ATOM 956 N LEU A 61 17.675 -1.347 -0.276 1.00 0.00 N ATOM 957 CA LEU A 61 19.065 -1.074 0.042 1.00 0.00 C ATOM 958 C LEU A 61 19.750 -2.348 0.529 1.00 0.00 C ATOM 959 O LEU A 61 20.584 -2.929 -0.166 1.00 0.00 O ATOM 960 CB LEU A 61 19.140 0.015 1.118 1.00 0.00 C ATOM 961 CG LEU A 61 19.991 1.247 0.778 1.00 0.00 C ATOM 962 CD1 LEU A 61 20.470 1.209 -0.664 1.00 0.00 C ATOM 963 CD2 LEU A 61 19.203 2.518 1.048 1.00 0.00 C ATOM 0 H LEU A 61 17.012 -1.027 0.431 1.00 0.00 H new ATOM 0 HA LEU A 61 19.579 -0.725 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.126 0.349 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.534 -0.432 2.031 1.00 0.00 H new ATOM 0 HG LEU A 61 20.873 1.236 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.069 2.095 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.075 0.316 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.610 1.188 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.816 3.385 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.303 2.525 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.924 2.556 2.101 1.00 0.00 H new ATOM 975 N ARG A 62 19.361 -2.788 1.716 1.00 0.00 N ATOM 976 CA ARG A 62 19.898 -3.990 2.321 1.00 0.00 C ATOM 977 C ARG A 62 18.886 -4.542 3.316 1.00 0.00 C ATOM 978 O ARG A 62 18.034 -5.355 2.957 1.00 0.00 O ATOM 979 CB ARG A 62 21.212 -3.670 3.011 1.00 0.00 C ATOM 980 CG ARG A 62 22.419 -4.234 2.285 1.00 0.00 C ATOM 981 CD ARG A 62 23.193 -5.187 3.168 1.00 0.00 C ATOM 982 NE ARG A 62 24.232 -4.492 3.931 1.00 0.00 N ATOM 983 CZ ARG A 62 24.516 -4.742 5.210 1.00 0.00 C ATOM 984 NH1 ARG A 62 23.911 -5.738 5.844 1.00 0.00 N ATOM 985 NH2 ARG A 62 25.442 -4.028 5.843 1.00 0.00 N ATOM 0 H ARG A 62 18.660 -2.316 2.287 1.00 0.00 H new ATOM 0 HA ARG A 62 20.086 -4.742 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 62 21.318 -2.588 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 62 21.188 -4.066 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 62 22.094 -4.753 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 62 23.069 -3.419 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 62 22.508 -5.685 3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 62 23.650 -5.963 2.554 1.00 0.00 H new ATOM 0 HE ARG A 62 24.773 -3.771 3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 62 23.227 -6.314 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 62 24.130 -5.928 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 62 25.938 -3.286 5.350 1.00 0.00 H new ATOM 0 HH22 ARG A 62 25.656 -4.223 6.821 1.00 0.00 H new ATOM 999 N LEU A 63 18.847 -3.943 4.500 1.00 0.00 N ATOM 1000 CA LEU A 63 17.779 -4.227 5.449 1.00 0.00 C ATOM 1001 C LEU A 63 17.094 -2.926 5.835 1.00 0.00 C ATOM 1002 O LEU A 63 15.875 -2.870 5.992 1.00 0.00 O ATOM 1003 CB LEU A 63 18.296 -4.961 6.696 1.00 0.00 C ATOM 1004 CG LEU A 63 19.799 -4.861 6.957 1.00 0.00 C ATOM 1005 CD1 LEU A 63 20.069 -4.614 8.432 1.00 0.00 C ATOM 1006 CD2 LEU A 63 20.499 -6.127 6.497 1.00 0.00 C ATOM 0 H LEU A 63 19.536 -3.264 4.823 1.00 0.00 H new ATOM 0 HA LEU A 63 17.061 -4.892 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 63 17.769 -4.571 7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 18.032 -6.015 6.609 1.00 0.00 H new ATOM 0 HG LEU A 63 20.193 -4.018 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 63 21.144 -4.546 8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.594 -3.682 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 63 19.662 -5.437 9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 63 21.569 -6.042 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 63 20.100 -6.982 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 63 20.332 -6.267 5.429 1.00 0.00 H new ATOM 1018 N GLY A 64 17.886 -1.865 5.918 1.00 0.00 N ATOM 1019 CA GLY A 64 17.351 -0.555 6.199 1.00 0.00 C ATOM 1020 C GLY A 64 18.038 0.521 5.385 1.00 0.00 C ATOM 1021 O GLY A 64 17.403 1.238 4.615 1.00 0.00 O ATOM 0 H GLY A 64 18.898 -1.894 5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.282 -0.546 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.465 -0.336 7.261 1.00 0.00 H new ATOM 1025 N GLY A 65 19.337 0.656 5.580 1.00 0.00 N ATOM 1026 CA GLY A 65 20.089 1.676 4.874 1.00 0.00 C ATOM 1027 C GLY A 65 21.489 1.229 4.517 1.00 0.00 C ATOM 1028 O GLY A 65 22.428 2.001 4.677 1.00 0.00 O ATOM 0 H GLY A 65 19.888 0.078 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 65 19.556 1.949 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 65 20.145 2.573 5.491 1.00 0.00 H new ATOM 1032 N SER A 66 21.616 -0.024 4.071 1.00 0.00 N ATOM 1033 CA SER A 66 22.914 -0.678 3.813 1.00 0.00 C ATOM 1034 C SER A 66 24.059 -0.158 4.695 1.00 0.00 C ATOM 1035 O SER A 66 25.180 0.034 4.225 1.00 0.00 O ATOM 1036 CB SER A 66 23.288 -0.501 2.344 1.00 0.00 C ATOM 1037 OG SER A 66 22.190 -0.794 1.506 1.00 0.00 O ATOM 0 H SER A 66 20.815 -0.624 3.875 1.00 0.00 H new ATOM 0 HA SER A 66 22.784 -1.731 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.621 0.522 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.124 -1.155 2.096 1.00 0.00 H new ATOM 0 HG SER A 66 22.452 -0.673 0.569 1.00 0.00 H new ATOM 1043 N GLY A 67 23.773 0.033 5.978 1.00 0.00 N ATOM 1044 CA GLY A 67 24.786 0.490 6.905 1.00 0.00 C ATOM 1045 C GLY A 67 25.055 -0.526 7.990 1.00 0.00 C ATOM 1046 O GLY A 67 26.092 -1.189 7.988 1.00 0.00 O ATOM 0 H GLY A 67 22.854 -0.122 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 67 25.709 0.695 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 67 24.467 1.429 7.358 1.00 0.00 H new ATOM 1050 N GLY A 68 24.098 -0.687 8.891 1.00 0.00 N ATOM 1051 CA GLY A 68 24.239 -1.660 9.954 1.00 0.00 C ATOM 1052 C GLY A 68 24.672 -1.027 11.260 1.00 0.00 C ATOM 1053 O GLY A 68 24.750 -1.701 12.287 1.00 0.00 O ATOM 0 H GLY A 68 23.225 -0.160 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 68 23.290 -2.175 10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 68 24.969 -2.414 9.659 1.00 0.00 H new ATOM 1057 N HIS A 69 24.952 0.270 11.221 1.00 0.00 N ATOM 1058 CA HIS A 69 25.373 0.998 12.415 1.00 0.00 C ATOM 1059 C HIS A 69 24.183 1.694 13.056 1.00 0.00 C ATOM 1060 O HIS A 69 23.169 1.934 12.399 1.00 0.00 O ATOM 1061 CB HIS A 69 26.455 2.041 12.090 1.00 0.00 C ATOM 1062 CG HIS A 69 27.204 1.798 10.811 1.00 0.00 C ATOM 1063 ND1 HIS A 69 27.064 2.632 9.728 1.00 0.00 N ATOM 1064 CD2 HIS A 69 28.084 0.815 10.503 1.00 0.00 C ATOM 1065 CE1 HIS A 69 27.857 2.143 8.791 1.00 0.00 C ATOM 1066 NE2 HIS A 69 28.496 1.042 9.214 1.00 0.00 N ATOM 0 H HIS A 69 24.896 0.840 10.377 1.00 0.00 H new ATOM 0 HA HIS A 69 25.793 0.270 13.109 1.00 0.00 H new ATOM 0 HB2 HIS A 69 25.987 3.024 12.039 1.00 0.00 H new ATOM 0 HB3 HIS A 69 27.170 2.070 12.913 1.00 0.00 H new ATOM 0 HD2 HIS A 69 28.400 0.008 11.148 1.00 0.00 H new ATOM 0 HE1 HIS A 69 27.976 2.575 7.808 1.00 0.00 H new ATOM 0 HE2 HIS A 69 29.160 0.481 8.680 1.00 0.00 H new ATOM 1074 N MET A 70 24.323 2.034 14.331 1.00 0.00 N ATOM 1075 CA MET A 70 23.276 2.729 15.068 1.00 0.00 C ATOM 1076 C MET A 70 23.079 4.137 14.522 1.00 0.00 C ATOM 1077 O MET A 70 21.961 4.543 14.208 1.00 0.00 O ATOM 1078 CB MET A 70 23.630 2.802 16.555 1.00 0.00 C ATOM 1079 CG MET A 70 23.305 1.535 17.322 1.00 0.00 C ATOM 1080 SD MET A 70 22.238 1.836 18.745 1.00 0.00 S ATOM 1081 CE MET A 70 20.632 1.922 17.951 1.00 0.00 C ATOM 0 H MET A 70 25.160 1.837 14.880 1.00 0.00 H new ATOM 0 HA MET A 70 22.349 2.169 14.947 1.00 0.00 H new ATOM 0 HB2 MET A 70 24.694 3.014 16.656 1.00 0.00 H new ATOM 0 HB3 MET A 70 23.094 3.637 17.006 1.00 0.00 H new ATOM 0 HG2 MET A 70 22.819 0.825 16.653 1.00 0.00 H new ATOM 0 HG3 MET A 70 24.232 1.072 17.660 1.00 0.00 H new ATOM 0 HE1 MET A 70 19.864 2.105 18.703 1.00 0.00 H new ATOM 0 HE2 MET A 70 20.629 2.734 17.224 1.00 0.00 H new ATOM 0 HE3 MET A 70 20.426 0.980 17.443 1.00 0.00 H new ATOM 1091 N GLY A 71 24.174 4.877 14.416 1.00 0.00 N ATOM 1092 CA GLY A 71 24.110 6.227 13.898 1.00 0.00 C ATOM 1093 C GLY A 71 24.207 6.256 12.391 1.00 0.00 C ATOM 1094 O GLY A 71 25.283 6.052 11.826 1.00 0.00 O ATOM 0 H GLY A 71 25.108 4.564 14.681 1.00 0.00 H new ATOM 0 HA2 GLY A 71 23.175 6.692 14.211 1.00 0.00 H new ATOM 0 HA3 GLY A 71 24.919 6.819 14.326 1.00 0.00 H new ATOM 1098 N SER A 72 23.077 6.447 11.739 1.00 0.00 N ATOM 1099 CA SER A 72 23.018 6.449 10.287 1.00 0.00 C ATOM 1100 C SER A 72 23.248 7.855 9.735 1.00 0.00 C ATOM 1101 O SER A 72 23.772 8.725 10.432 1.00 0.00 O ATOM 1102 CB SER A 72 21.663 5.911 9.842 1.00 0.00 C ATOM 1103 OG SER A 72 21.020 5.216 10.900 1.00 0.00 O ATOM 0 H SER A 72 22.178 6.604 12.195 1.00 0.00 H new ATOM 0 HA SER A 72 23.808 5.808 9.895 1.00 0.00 H new ATOM 0 HB2 SER A 72 21.033 6.735 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.794 5.244 8.990 1.00 0.00 H new ATOM 0 HG SER A 72 20.945 4.266 10.670 1.00 0.00 H new ATOM 1109 N GLY A 73 22.898 8.067 8.471 1.00 0.00 N ATOM 1110 CA GLY A 73 23.113 9.359 7.855 1.00 0.00 C ATOM 1111 C GLY A 73 22.002 10.342 8.158 1.00 0.00 C ATOM 1112 O GLY A 73 22.080 11.101 9.125 1.00 0.00 O ATOM 0 H GLY A 73 22.470 7.367 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 73 24.061 9.770 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 73 23.197 9.233 6.776 1.00 0.00 H new ATOM 1116 N GLY A 74 20.963 10.324 7.338 1.00 0.00 N ATOM 1117 CA GLY A 74 19.851 11.227 7.540 1.00 0.00 C ATOM 1118 C GLY A 74 20.134 12.618 7.010 1.00 0.00 C ATOM 1119 O GLY A 74 20.760 12.774 5.958 1.00 0.00 O ATOM 0 H GLY A 74 20.870 9.700 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.966 10.826 7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.623 11.286 8.604 1.00 0.00 H new ATOM 1123 N ASP A 75 19.641 13.627 7.712 1.00 0.00 N ATOM 1124 CA ASP A 75 19.821 14.998 7.310 1.00 0.00 C ATOM 1125 C ASP A 75 20.926 15.652 8.130 1.00 0.00 C ATOM 1126 O ASP A 75 20.718 16.081 9.267 1.00 0.00 O ATOM 1127 CB ASP A 75 18.506 15.774 7.445 1.00 0.00 C ATOM 1128 CG ASP A 75 17.824 15.633 8.800 1.00 0.00 C ATOM 1129 OD1 ASP A 75 17.716 14.500 9.321 1.00 0.00 O ATOM 1130 OD2 ASP A 75 17.360 16.660 9.338 1.00 0.00 O ATOM 0 H ASP A 75 19.107 13.510 8.573 1.00 0.00 H new ATOM 0 HA ASP A 75 20.119 15.017 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.702 16.830 7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.818 15.436 6.670 1.00 0.00 H new ATOM 1135 N VAL A 76 22.123 15.660 7.566 1.00 0.00 N ATOM 1136 CA VAL A 76 23.288 16.218 8.234 1.00 0.00 C ATOM 1137 C VAL A 76 23.986 17.210 7.315 1.00 0.00 C ATOM 1138 O VAL A 76 23.584 17.379 6.161 1.00 0.00 O ATOM 1139 CB VAL A 76 24.300 15.127 8.649 1.00 0.00 C ATOM 1140 CG1 VAL A 76 24.520 15.145 10.153 1.00 0.00 C ATOM 1141 CG2 VAL A 76 23.849 13.748 8.191 1.00 0.00 C ATOM 0 H VAL A 76 22.314 15.282 6.638 1.00 0.00 H new ATOM 0 HA VAL A 76 22.933 16.716 9.136 1.00 0.00 H new ATOM 0 HB VAL A 76 25.247 15.348 8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 76 25.236 14.369 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 76 24.908 16.119 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 76 23.574 14.960 10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 76 24.584 13.004 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.884 13.513 8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.756 13.738 7.105 1.00 0.00 H new ATOM 1151 N MET A 77 25.012 17.875 7.830 1.00 0.00 N ATOM 1152 CA MET A 77 25.761 18.858 7.054 1.00 0.00 C ATOM 1153 C MET A 77 26.315 18.252 5.769 1.00 0.00 C ATOM 1154 O MET A 77 26.835 17.133 5.768 1.00 0.00 O ATOM 1155 CB MET A 77 26.902 19.433 7.884 1.00 0.00 C ATOM 1156 CG MET A 77 26.424 20.341 8.994 1.00 0.00 C ATOM 1157 SD MET A 77 27.695 21.494 9.542 1.00 0.00 S ATOM 1158 CE MET A 77 27.519 21.363 11.320 1.00 0.00 C ATOM 0 H MET A 77 25.346 17.752 8.786 1.00 0.00 H new ATOM 0 HA MET A 77 25.071 19.657 6.784 1.00 0.00 H new ATOM 0 HB2 MET A 77 27.479 18.615 8.314 1.00 0.00 H new ATOM 0 HB3 MET A 77 27.575 19.989 7.231 1.00 0.00 H new ATOM 0 HG2 MET A 77 25.554 20.901 8.651 1.00 0.00 H new ATOM 0 HG3 MET A 77 26.100 19.735 9.840 1.00 0.00 H new ATOM 0 HE1 MET A 77 28.240 22.020 11.806 1.00 0.00 H new ATOM 0 HE2 MET A 77 26.509 21.656 11.608 1.00 0.00 H new ATOM 0 HE3 MET A 77 27.700 20.333 11.629 1.00 0.00 H new ATOM 1168 N VAL A 78 26.174 18.986 4.675 1.00 0.00 N ATOM 1169 CA VAL A 78 26.647 18.536 3.377 1.00 0.00 C ATOM 1170 C VAL A 78 26.911 19.736 2.467 1.00 0.00 C ATOM 1171 O VAL A 78 26.256 20.773 2.598 1.00 0.00 O ATOM 1172 CB VAL A 78 25.626 17.575 2.715 1.00 0.00 C ATOM 1173 CG1 VAL A 78 24.311 18.283 2.423 1.00 0.00 C ATOM 1174 CG2 VAL A 78 26.198 16.962 1.445 1.00 0.00 C ATOM 0 H VAL A 78 25.731 19.905 4.663 1.00 0.00 H new ATOM 0 HA VAL A 78 27.579 17.991 3.525 1.00 0.00 H new ATOM 0 HB VAL A 78 25.425 16.770 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.616 17.583 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 78 23.884 18.655 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 78 24.490 19.119 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.462 16.292 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 78 26.442 17.754 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.100 16.400 1.687 1.00 0.00 H new ATOM 1184 N VAL A 79 27.924 19.622 1.611 1.00 0.00 N ATOM 1185 CA VAL A 79 28.322 20.718 0.729 1.00 0.00 C ATOM 1186 C VAL A 79 27.182 21.113 -0.210 1.00 0.00 C ATOM 1187 O VAL A 79 26.885 22.295 -0.383 1.00 0.00 O ATOM 1188 CB VAL A 79 29.566 20.337 -0.107 1.00 0.00 C ATOM 1189 CG1 VAL A 79 29.891 21.409 -1.139 1.00 0.00 C ATOM 1190 CG2 VAL A 79 30.764 20.087 0.798 1.00 0.00 C ATOM 0 H VAL A 79 28.487 18.778 1.509 1.00 0.00 H new ATOM 0 HA VAL A 79 28.568 21.568 1.365 1.00 0.00 H new ATOM 0 HB VAL A 79 29.336 19.416 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 79 30.770 21.110 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 79 29.045 21.532 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 79 30.091 22.353 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 79 31.629 19.820 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 79 30.985 20.990 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 79 30.537 19.271 1.485 1.00 0.00 H new ATOM 1200 N GLY A 80 26.500 20.119 -0.756 1.00 0.00 N ATOM 1201 CA GLY A 80 25.370 20.389 -1.621 1.00 0.00 C ATOM 1202 C GLY A 80 24.414 19.224 -1.678 1.00 0.00 C ATOM 1203 O GLY A 80 23.643 18.998 -0.740 1.00 0.00 O ATOM 0 H GLY A 80 26.708 19.130 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 80 24.843 21.274 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 80 25.728 20.615 -2.626 1.00 0.00 H new ATOM 1207 N GLU A 81 24.527 18.431 -2.733 1.00 0.00 N ATOM 1208 CA GLU A 81 23.743 17.217 -2.866 1.00 0.00 C ATOM 1209 C GLU A 81 24.154 16.216 -1.794 1.00 0.00 C ATOM 1210 O GLU A 81 25.341 15.907 -1.654 1.00 0.00 O ATOM 1211 CB GLU A 81 23.950 16.613 -4.252 1.00 0.00 C ATOM 1212 CG GLU A 81 22.690 16.592 -5.095 1.00 0.00 C ATOM 1213 CD GLU A 81 22.135 15.193 -5.270 1.00 0.00 C ATOM 1214 OE1 GLU A 81 22.927 14.224 -5.237 1.00 0.00 O ATOM 1215 OE2 GLU A 81 20.903 15.051 -5.429 1.00 0.00 O ATOM 0 H GLU A 81 25.159 18.610 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 81 22.688 17.459 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.719 17.180 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 81 24.323 15.594 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 81 21.934 17.224 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 81 22.904 17.020 -6.074 1.00 0.00 H new ATOM 1222 N PRO A 82 23.195 15.748 -0.982 1.00 0.00 N ATOM 1223 CA PRO A 82 23.483 14.822 0.110 1.00 0.00 C ATOM 1224 C PRO A 82 23.886 13.448 -0.401 1.00 0.00 C ATOM 1225 O PRO A 82 23.390 12.977 -1.429 1.00 0.00 O ATOM 1226 CB PRO A 82 22.174 14.729 0.894 1.00 0.00 C ATOM 1227 CG PRO A 82 21.295 15.814 0.361 1.00 0.00 C ATOM 1228 CD PRO A 82 21.772 16.110 -1.033 1.00 0.00 C ATOM 0 HA PRO A 82 24.319 15.172 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 82 21.710 13.752 0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 82 22.349 14.858 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 82 20.252 15.499 0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 82 21.355 16.704 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 82 21.233 15.523 -1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 82 21.632 17.159 -1.293 1.00 0.00 H new ATOM 1236 N THR A 83 24.792 12.824 0.319 1.00 0.00 N ATOM 1237 CA THR A 83 25.300 11.522 -0.038 1.00 0.00 C ATOM 1238 C THR A 83 26.094 10.954 1.137 1.00 0.00 C ATOM 1239 O THR A 83 26.999 11.606 1.671 1.00 0.00 O ATOM 1240 CB THR A 83 26.163 11.597 -1.326 1.00 0.00 C ATOM 1241 OG1 THR A 83 25.484 10.949 -2.408 1.00 0.00 O ATOM 1242 CG2 THR A 83 27.533 10.970 -1.142 1.00 0.00 C ATOM 0 H THR A 83 25.198 13.209 1.172 1.00 0.00 H new ATOM 0 HA THR A 83 24.466 10.854 -0.253 1.00 0.00 H new ATOM 0 HB THR A 83 26.310 12.653 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 83 24.593 11.342 -2.517 1.00 0.00 H new ATOM 0 HG21 THR A 83 28.097 11.048 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 83 28.068 11.491 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 83 27.419 9.920 -0.874 1.00 0.00 H new ATOM 1250 N LEU A 84 25.638 9.824 1.645 1.00 0.00 N ATOM 1251 CA LEU A 84 26.244 9.221 2.815 1.00 0.00 C ATOM 1252 C LEU A 84 26.755 7.827 2.489 1.00 0.00 C ATOM 1253 O LEU A 84 26.225 7.156 1.604 1.00 0.00 O ATOM 1254 CB LEU A 84 25.243 9.185 3.969 1.00 0.00 C ATOM 1255 CG LEU A 84 24.647 10.547 4.329 1.00 0.00 C ATOM 1256 CD1 LEU A 84 23.140 10.447 4.468 1.00 0.00 C ATOM 1257 CD2 LEU A 84 25.272 11.086 5.606 1.00 0.00 C ATOM 0 H LEU A 84 24.847 9.305 1.263 1.00 0.00 H new ATOM 0 HA LEU A 84 27.096 9.827 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 84 24.432 8.504 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 84 25.736 8.773 4.850 1.00 0.00 H new ATOM 0 HG LEU A 84 24.871 11.245 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.733 11.425 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.709 10.110 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.894 9.734 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 84 24.834 12.055 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 84 25.083 10.392 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 84 26.347 11.198 5.466 1.00 0.00 H new ATOM 1269 N MET A 85 27.814 7.417 3.166 1.00 0.00 N ATOM 1270 CA MET A 85 28.422 6.119 2.916 1.00 0.00 C ATOM 1271 C MET A 85 28.245 5.203 4.119 1.00 0.00 C ATOM 1272 O MET A 85 28.698 4.058 4.116 1.00 0.00 O ATOM 1273 CB MET A 85 29.908 6.283 2.593 1.00 0.00 C ATOM 1274 CG MET A 85 30.432 5.254 1.605 1.00 0.00 C ATOM 1275 SD MET A 85 32.107 4.712 1.994 1.00 0.00 S ATOM 1276 CE MET A 85 32.041 3.001 1.462 1.00 0.00 C ATOM 0 H MET A 85 28.272 7.964 3.895 1.00 0.00 H new ATOM 0 HA MET A 85 27.923 5.665 2.060 1.00 0.00 H new ATOM 0 HB2 MET A 85 30.076 7.281 2.189 1.00 0.00 H new ATOM 0 HB3 MET A 85 30.482 6.213 3.517 1.00 0.00 H new ATOM 0 HG2 MET A 85 29.767 4.391 1.598 1.00 0.00 H new ATOM 0 HG3 MET A 85 30.415 5.678 0.601 1.00 0.00 H new ATOM 0 HE1 MET A 85 33.007 2.528 1.638 1.00 0.00 H new ATOM 0 HE2 MET A 85 31.271 2.474 2.025 1.00 0.00 H new ATOM 0 HE3 MET A 85 31.805 2.959 0.399 1.00 0.00 H new ATOM 1286 N GLY A 86 27.572 5.711 5.142 1.00 0.00 N ATOM 1287 CA GLY A 86 27.338 4.927 6.332 1.00 0.00 C ATOM 1288 C GLY A 86 26.079 4.096 6.222 1.00 0.00 C ATOM 1289 O GLY A 86 26.076 3.047 5.572 1.00 0.00 O ATOM 0 H GLY A 86 27.184 6.654 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 86 28.191 4.272 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 86 27.261 5.590 7.194 1.00 0.00 H new ATOM 1293 N GLY A 87 25.001 4.587 6.819 1.00 0.00 N ATOM 1294 CA GLY A 87 23.728 3.896 6.756 1.00 0.00 C ATOM 1295 C GLY A 87 22.589 4.844 6.461 1.00 0.00 C ATOM 1296 O GLY A 87 22.821 6.050 6.372 1.00 0.00 O ATOM 0 H GLY A 87 24.986 5.458 7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 87 23.770 3.127 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 87 23.543 3.389 7.703 1.00 0.00 H new ATOM 1300 N GLU A 88 21.361 4.295 6.441 1.00 0.00 N ATOM 1301 CA GLU A 88 20.107 5.032 6.239 1.00 0.00 C ATOM 1302 C GLU A 88 20.309 6.466 5.754 1.00 0.00 C ATOM 1303 O GLU A 88 20.339 7.416 6.543 1.00 0.00 O ATOM 1304 CB GLU A 88 19.306 4.980 7.526 1.00 0.00 C ATOM 1305 CG GLU A 88 18.953 3.557 7.928 1.00 0.00 C ATOM 1306 CD GLU A 88 20.009 2.892 8.783 1.00 0.00 C ATOM 1307 OE1 GLU A 88 20.922 2.256 8.214 1.00 0.00 O ATOM 1308 OE2 GLU A 88 19.931 2.998 10.026 1.00 0.00 O ATOM 0 H GLU A 88 21.213 3.294 6.569 1.00 0.00 H new ATOM 0 HA GLU A 88 19.555 4.547 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.877 5.450 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.390 5.559 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.009 3.565 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.797 2.962 7.028 1.00 0.00 H new ATOM 1315 N PHE A 89 20.581 6.577 4.462 1.00 0.00 N ATOM 1316 CA PHE A 89 20.942 7.844 3.846 1.00 0.00 C ATOM 1317 C PHE A 89 19.740 8.771 3.729 1.00 0.00 C ATOM 1318 O PHE A 89 19.543 9.653 4.563 1.00 0.00 O ATOM 1319 CB PHE A 89 21.562 7.594 2.468 1.00 0.00 C ATOM 1320 CG PHE A 89 22.329 6.302 2.378 1.00 0.00 C ATOM 1321 CD1 PHE A 89 23.499 6.122 3.099 1.00 0.00 C ATOM 1322 CD2 PHE A 89 21.873 5.264 1.579 1.00 0.00 C ATOM 1323 CE1 PHE A 89 24.200 4.933 3.028 1.00 0.00 C ATOM 1324 CE2 PHE A 89 22.571 4.074 1.502 1.00 0.00 C ATOM 1325 CZ PHE A 89 23.735 3.908 2.228 1.00 0.00 C ATOM 0 H PHE A 89 20.558 5.791 3.812 1.00 0.00 H new ATOM 0 HA PHE A 89 21.674 8.336 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.771 7.590 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 89 22.229 8.421 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 89 23.868 6.921 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 89 20.963 5.387 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 89 25.109 4.806 3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 89 22.207 3.274 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 89 24.280 2.978 2.170 1.00 0.00 H new ATOM 1335 N GLY A 90 18.954 8.574 2.687 1.00 0.00 N ATOM 1336 CA GLY A 90 17.792 9.406 2.460 1.00 0.00 C ATOM 1337 C GLY A 90 16.738 8.675 1.664 1.00 0.00 C ATOM 1338 O GLY A 90 16.872 8.505 0.452 1.00 0.00 O ATOM 0 H GLY A 90 19.100 7.846 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.375 9.720 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.089 10.311 1.929 1.00 0.00 H new ATOM 1342 N ASP A 91 15.755 8.140 2.362 1.00 0.00 N ATOM 1343 CA ASP A 91 14.725 7.340 1.738 1.00 0.00 C ATOM 1344 C ASP A 91 13.354 7.905 2.021 1.00 0.00 C ATOM 1345 O ASP A 91 12.732 8.488 1.133 1.00 0.00 O ATOM 1346 CB ASP A 91 14.805 5.879 2.209 1.00 0.00 C ATOM 1347 CG ASP A 91 15.135 5.719 3.683 1.00 0.00 C ATOM 1348 OD1 ASP A 91 14.195 5.700 4.507 1.00 0.00 O ATOM 1349 OD2 ASP A 91 16.327 5.585 4.022 1.00 0.00 O ATOM 0 H ASP A 91 15.650 8.248 3.371 1.00 0.00 H new ATOM 0 HA ASP A 91 14.892 7.367 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.852 5.391 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.561 5.360 1.620 1.00 0.00 H new ATOM 1354 N GLU A 92 12.834 7.560 3.184 1.00 0.00 N ATOM 1355 CA GLU A 92 11.450 7.801 3.529 1.00 0.00 C ATOM 1356 C GLU A 92 10.580 6.875 2.711 1.00 0.00 C ATOM 1357 O GLU A 92 10.536 6.942 1.484 1.00 0.00 O ATOM 1358 CB GLU A 92 11.014 9.249 3.337 1.00 0.00 C ATOM 1359 CG GLU A 92 11.600 10.206 4.364 1.00 0.00 C ATOM 1360 CD GLU A 92 12.704 11.068 3.791 1.00 0.00 C ATOM 1361 OE1 GLU A 92 12.494 11.677 2.719 1.00 0.00 O ATOM 1362 OE2 GLU A 92 13.785 11.152 4.412 1.00 0.00 O ATOM 0 H GLU A 92 13.368 7.100 3.921 1.00 0.00 H new ATOM 0 HA GLU A 92 11.338 7.600 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.306 9.578 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.926 9.301 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.808 10.847 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.990 9.635 5.207 1.00 0.00 H new ATOM 1369 N ASP A 93 10.022 5.922 3.403 1.00 0.00 N ATOM 1370 CA ASP A 93 9.238 4.841 2.796 1.00 0.00 C ATOM 1371 C ASP A 93 7.901 5.339 2.239 1.00 0.00 C ATOM 1372 O ASP A 93 6.861 4.700 2.409 1.00 0.00 O ATOM 1373 CB ASP A 93 8.994 3.724 3.806 1.00 0.00 C ATOM 1374 CG ASP A 93 8.495 2.472 3.128 1.00 0.00 C ATOM 1375 OD1 ASP A 93 9.140 2.026 2.164 1.00 0.00 O ATOM 1376 OD2 ASP A 93 7.427 1.961 3.526 1.00 0.00 O ATOM 0 H ASP A 93 10.090 5.858 4.419 1.00 0.00 H new ATOM 0 HA ASP A 93 9.822 4.454 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.918 3.507 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.266 4.054 4.547 1.00 0.00 H new ATOM 1381 N GLU A 94 7.924 6.524 1.664 1.00 0.00 N ATOM 1382 CA GLU A 94 6.719 7.157 1.163 1.00 0.00 C ATOM 1383 C GLU A 94 6.058 6.331 0.069 1.00 0.00 C ATOM 1384 O GLU A 94 6.705 5.527 -0.602 1.00 0.00 O ATOM 1385 CB GLU A 94 7.054 8.541 0.636 1.00 0.00 C ATOM 1386 CG GLU A 94 6.916 9.618 1.691 1.00 0.00 C ATOM 1387 CD GLU A 94 5.523 10.201 1.739 1.00 0.00 C ATOM 1388 OE1 GLU A 94 4.555 9.494 1.375 1.00 0.00 O ATOM 1389 OE2 GLU A 94 5.389 11.380 2.111 1.00 0.00 O ATOM 0 H GLU A 94 8.773 7.074 1.531 1.00 0.00 H new ATOM 0 HA GLU A 94 6.012 7.235 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.075 8.542 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.398 8.774 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.167 9.202 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.633 10.414 1.490 1.00 0.00 H new ATOM 1396 N ARG A 95 4.754 6.504 -0.082 1.00 0.00 N ATOM 1397 CA ARG A 95 3.994 5.771 -1.063 1.00 0.00 C ATOM 1398 C ARG A 95 2.615 6.406 -1.225 1.00 0.00 C ATOM 1399 O ARG A 95 2.343 7.461 -0.651 1.00 0.00 O ATOM 1400 CB ARG A 95 3.865 4.321 -0.611 1.00 0.00 C ATOM 1401 CG ARG A 95 4.151 3.317 -1.712 1.00 0.00 C ATOM 1402 CD ARG A 95 4.472 1.934 -1.168 1.00 0.00 C ATOM 1403 NE ARG A 95 5.909 1.655 -1.164 1.00 0.00 N ATOM 1404 CZ ARG A 95 6.689 1.753 -0.084 1.00 0.00 C ATOM 1405 NH1 ARG A 95 6.197 2.212 1.054 1.00 0.00 N ATOM 1406 NH2 ARG A 95 7.966 1.407 -0.145 1.00 0.00 N ATOM 0 H ARG A 95 4.201 7.156 0.474 1.00 0.00 H new ATOM 0 HA ARG A 95 4.503 5.801 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.550 4.145 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 95 2.857 4.155 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.287 3.252 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.988 3.671 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.085 1.847 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.960 1.182 -1.769 1.00 0.00 H new ATOM 0 HE ARG A 95 6.342 1.368 -2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.218 2.493 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.796 2.285 1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.360 1.063 -1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.556 1.485 0.684 1.00 0.00 H new ATOM 1420 N LEU A 96 1.716 5.702 -1.895 1.00 0.00 N ATOM 1421 CA LEU A 96 0.322 6.112 -1.968 1.00 0.00 C ATOM 1422 C LEU A 96 -0.555 4.880 -1.947 1.00 0.00 C ATOM 1423 O LEU A 96 -0.119 3.809 -2.365 1.00 0.00 O ATOM 1424 CB LEU A 96 0.022 6.921 -3.232 1.00 0.00 C ATOM 1425 CG LEU A 96 1.088 6.874 -4.316 1.00 0.00 C ATOM 1426 CD1 LEU A 96 0.518 6.305 -5.606 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.651 8.264 -4.538 1.00 0.00 C ATOM 0 H LEU A 96 1.928 4.840 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 96 0.117 6.752 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.916 6.563 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.134 7.961 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 96 1.895 6.217 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.297 6.280 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.153 5.294 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.305 6.933 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.415 8.227 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.850 8.936 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.094 8.630 -3.611 1.00 0.00 H new ATOM 1439 N ILE A 97 -1.791 5.042 -1.505 1.00 0.00 N ATOM 1440 CA ILE A 97 -2.768 3.961 -1.533 1.00 0.00 C ATOM 1441 C ILE A 97 -4.173 4.519 -1.412 1.00 0.00 C ATOM 1442 O ILE A 97 -4.480 5.274 -0.490 1.00 0.00 O ATOM 1443 CB ILE A 97 -2.577 2.906 -0.425 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -1.613 3.391 0.652 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -2.098 1.595 -1.028 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -1.565 2.494 1.870 1.00 0.00 C ATOM 0 H ILE A 97 -2.145 5.917 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.613 3.463 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.542 2.742 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.612 3.465 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.903 4.395 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.966 0.857 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.836 1.232 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.147 1.754 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.859 2.901 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.556 2.439 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.246 1.495 1.574 1.00 0.00 H new ATOM 1458 N THR A 98 -5.016 4.152 -2.353 1.00 0.00 N ATOM 1459 CA THR A 98 -6.388 4.605 -2.369 1.00 0.00 C ATOM 1460 C THR A 98 -7.276 3.704 -1.526 1.00 0.00 C ATOM 1461 O THR A 98 -7.520 2.547 -1.878 1.00 0.00 O ATOM 1462 CB THR A 98 -6.924 4.650 -3.804 1.00 0.00 C ATOM 1463 OG1 THR A 98 -5.959 4.089 -4.704 1.00 0.00 O ATOM 1464 CG2 THR A 98 -7.206 6.081 -4.194 1.00 0.00 C ATOM 0 H THR A 98 -4.770 3.533 -3.126 1.00 0.00 H new ATOM 0 HA THR A 98 -6.406 5.609 -1.945 1.00 0.00 H new ATOM 0 HB THR A 98 -7.845 4.069 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.309 4.119 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.587 6.112 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.948 6.503 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.286 6.663 -4.133 1.00 0.00 H new ATOM 1472 N ARG A 99 -7.771 4.246 -0.426 1.00 0.00 N ATOM 1473 CA ARG A 99 -8.678 3.517 0.448 1.00 0.00 C ATOM 1474 C ARG A 99 -10.066 3.493 -0.172 1.00 0.00 C ATOM 1475 O ARG A 99 -10.798 4.482 -0.112 1.00 0.00 O ATOM 1476 CB ARG A 99 -8.734 4.181 1.825 1.00 0.00 C ATOM 1477 CG ARG A 99 -7.543 3.868 2.716 1.00 0.00 C ATOM 1478 CD ARG A 99 -7.490 2.401 3.095 1.00 0.00 C ATOM 1479 NE ARG A 99 -8.369 2.078 4.215 1.00 0.00 N ATOM 1480 CZ ARG A 99 -8.097 1.148 5.124 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -6.886 0.598 5.176 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -9.012 0.811 6.018 1.00 0.00 N ATOM 0 H ARG A 99 -7.559 5.194 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.316 2.496 0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.801 5.261 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.646 3.865 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.622 4.143 2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.597 4.475 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.770 1.796 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.465 2.133 3.353 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.243 2.596 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.164 0.890 4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.680 -0.116 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.925 1.265 6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.804 0.097 6.716 1.00 0.00 H new ATOM 1496 N LEU A 100 -10.396 2.405 -0.842 1.00 0.00 N ATOM 1497 CA LEU A 100 -11.670 2.319 -1.529 1.00 0.00 C ATOM 1498 C LEU A 100 -12.573 1.287 -0.891 1.00 0.00 C ATOM 1499 O LEU A 100 -12.139 0.457 -0.094 1.00 0.00 O ATOM 1500 CB LEU A 100 -11.479 1.984 -3.001 1.00 0.00 C ATOM 1501 CG LEU A 100 -12.391 2.749 -3.959 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -11.739 4.056 -4.384 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -12.725 1.901 -5.175 1.00 0.00 C ATOM 0 H LEU A 100 -9.806 1.577 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.143 3.298 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.442 2.184 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.645 0.916 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.320 2.979 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.402 4.588 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.552 4.672 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.795 3.845 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.375 2.465 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.806 1.638 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.234 0.991 -4.856 1.00 0.00 H new ATOM 1515 N GLU A 101 -13.819 1.319 -1.306 1.00 0.00 N ATOM 1516 CA GLU A 101 -14.828 0.394 -0.818 1.00 0.00 C ATOM 1517 C GLU A 101 -15.221 -0.572 -1.927 1.00 0.00 C ATOM 1518 O GLU A 101 -15.359 -0.170 -3.083 1.00 0.00 O ATOM 1519 CB GLU A 101 -16.058 1.165 -0.323 1.00 0.00 C ATOM 1520 CG GLU A 101 -15.988 2.661 -0.604 1.00 0.00 C ATOM 1521 CD GLU A 101 -16.203 3.517 0.628 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -17.191 3.289 1.352 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.383 4.434 0.873 1.00 0.00 O ATOM 0 H GLU A 101 -14.167 1.988 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.416 -0.174 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.950 0.755 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.168 1.009 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.015 2.897 -1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.739 2.918 -1.351 1.00 0.00 H new ATOM 1530 N ASN A 102 -15.364 -1.845 -1.589 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.721 -2.855 -2.580 1.00 0.00 C ATOM 1532 C ASN A 102 -17.176 -2.684 -2.998 1.00 0.00 C ATOM 1533 O ASN A 102 -17.472 -2.453 -4.170 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.485 -4.259 -2.019 1.00 0.00 C ATOM 1535 CG ASN A 102 -16.049 -5.361 -2.899 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -16.004 -5.283 -4.127 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -16.571 -6.403 -2.272 1.00 0.00 N ATOM 0 H ASN A 102 -15.240 -2.204 -0.642 1.00 0.00 H new ATOM 0 HA ASN A 102 -15.088 -2.726 -3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.414 -4.417 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.936 -4.328 -1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.956 -7.181 -2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.589 -6.428 -1.252 1.00 0.00 H new ATOM 1544 N THR A 103 -18.061 -2.682 -2.016 1.00 0.00 N ATOM 1545 CA THR A 103 -19.465 -2.400 -2.252 1.00 0.00 C ATOM 1546 C THR A 103 -19.906 -1.232 -1.375 1.00 0.00 C ATOM 1547 O THR A 103 -19.772 -0.069 -1.760 1.00 0.00 O ATOM 1548 CB THR A 103 -20.345 -3.637 -1.972 1.00 0.00 C ATOM 1549 OG1 THR A 103 -19.563 -4.834 -2.092 1.00 0.00 O ATOM 1550 CG2 THR A 103 -21.519 -3.692 -2.931 1.00 0.00 C ATOM 0 H THR A 103 -17.829 -2.874 -1.041 1.00 0.00 H new ATOM 0 HA THR A 103 -19.589 -2.137 -3.303 1.00 0.00 H new ATOM 0 HB THR A 103 -20.731 -3.559 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 103 -20.128 -5.614 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 103 -22.125 -4.572 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 103 -22.127 -2.795 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 103 -21.150 -3.749 -3.955 1.00 0.00 H new ATOM 1558 N GLN A 104 -20.303 -1.544 -0.150 1.00 0.00 N ATOM 1559 CA GLN A 104 -20.635 -0.528 0.836 1.00 0.00 C ATOM 1560 C GLN A 104 -19.822 -0.766 2.104 1.00 0.00 C ATOM 1561 O GLN A 104 -18.931 0.012 2.438 1.00 0.00 O ATOM 1562 CB GLN A 104 -22.135 -0.557 1.150 1.00 0.00 C ATOM 1563 CG GLN A 104 -22.863 -1.748 0.551 1.00 0.00 C ATOM 1564 CD GLN A 104 -23.009 -2.892 1.530 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -22.088 -3.691 1.704 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -24.159 -2.977 2.176 1.00 0.00 N ATOM 0 H GLN A 104 -20.403 -2.502 0.186 1.00 0.00 H new ATOM 0 HA GLN A 104 -20.391 0.455 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -22.270 -0.567 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -22.592 0.361 0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -23.851 -1.434 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -22.322 -2.095 -0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -24.895 -2.293 2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -24.311 -3.727 2.850 1.00 0.00 H new ATOM 1575 N PHE A 105 -20.063 -1.901 2.740 1.00 0.00 N ATOM 1576 CA PHE A 105 -19.310 -2.309 3.910 1.00 0.00 C ATOM 1577 C PHE A 105 -19.422 -3.822 4.067 1.00 0.00 C ATOM 1578 O PHE A 105 -19.160 -4.568 3.122 1.00 0.00 O ATOM 1579 CB PHE A 105 -19.836 -1.589 5.159 1.00 0.00 C ATOM 1580 CG PHE A 105 -18.807 -1.375 6.239 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -17.459 -1.620 6.008 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -19.195 -0.926 7.490 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -16.526 -1.421 7.005 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -18.265 -0.725 8.490 1.00 0.00 C ATOM 1585 CZ PHE A 105 -16.929 -0.972 8.248 1.00 0.00 C ATOM 0 H PHE A 105 -20.786 -2.563 2.458 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.261 -2.038 3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -20.239 -0.621 4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -20.664 -2.165 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -17.138 -1.970 5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -20.239 -0.730 7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -15.481 -1.616 6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -18.583 -0.375 9.461 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.200 -0.815 9.029 1.00 0.00 H new ATOM 1595 N ASP A 106 -19.935 -4.249 5.203 1.00 0.00 N ATOM 1596 CA ASP A 106 -20.207 -5.657 5.461 1.00 0.00 C ATOM 1597 C ASP A 106 -21.311 -5.755 6.497 1.00 0.00 C ATOM 1598 O ASP A 106 -22.495 -5.754 6.155 1.00 0.00 O ATOM 1599 CB ASP A 106 -18.950 -6.383 5.954 1.00 0.00 C ATOM 1600 CG ASP A 106 -18.992 -7.876 5.691 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -19.684 -8.303 4.740 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -18.320 -8.631 6.428 1.00 0.00 O ATOM 0 H ASP A 106 -20.177 -3.632 5.978 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.520 -6.137 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -18.074 -5.957 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -18.832 -6.210 7.024 1.00 0.00 H new ATOM 1607 N ALA A 107 -20.928 -5.605 7.755 1.00 0.00 N ATOM 1608 CA ALA A 107 -21.899 -5.488 8.825 1.00 0.00 C ATOM 1609 C ALA A 107 -21.736 -4.157 9.542 1.00 0.00 C ATOM 1610 O ALA A 107 -22.450 -3.197 9.242 1.00 0.00 O ATOM 1611 CB ALA A 107 -21.790 -6.654 9.795 1.00 0.00 C ATOM 0 H ALA A 107 -19.955 -5.562 8.057 1.00 0.00 H new ATOM 0 HA ALA A 107 -22.897 -5.521 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -22.530 -6.539 10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -21.970 -7.588 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -20.792 -6.672 10.232 1.00 0.00 H new ATOM 1617 N ALA A 108 -20.735 -4.070 10.411 1.00 0.00 N ATOM 1618 CA ALA A 108 -20.453 -2.823 11.125 1.00 0.00 C ATOM 1619 C ALA A 108 -19.087 -2.825 11.819 1.00 0.00 C ATOM 1620 O ALA A 108 -18.618 -1.778 12.265 1.00 0.00 O ATOM 1621 CB ALA A 108 -21.546 -2.540 12.149 1.00 0.00 C ATOM 0 H ALA A 108 -20.107 -4.841 10.639 1.00 0.00 H new ATOM 0 HA ALA A 108 -20.432 -2.035 10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -21.323 -1.610 12.672 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -22.506 -2.449 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -21.592 -3.358 12.868 1.00 0.00 H new ATOM 1627 N ASN A 109 -18.475 -3.993 11.970 1.00 0.00 N ATOM 1628 CA ASN A 109 -17.215 -4.092 12.706 1.00 0.00 C ATOM 1629 C ASN A 109 -16.013 -3.734 11.836 1.00 0.00 C ATOM 1630 O ASN A 109 -15.008 -3.225 12.337 1.00 0.00 O ATOM 1631 CB ASN A 109 -17.035 -5.491 13.295 1.00 0.00 C ATOM 1632 CG ASN A 109 -16.187 -5.477 14.555 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -16.301 -4.577 15.387 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -15.326 -6.471 14.704 1.00 0.00 N ATOM 0 H ASN A 109 -18.823 -4.877 11.599 1.00 0.00 H new ATOM 0 HA ASN A 109 -17.267 -3.368 13.519 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -18.013 -5.917 13.521 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -16.569 -6.139 12.553 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -14.729 -6.509 15.530 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -15.260 -7.199 13.993 1.00 0.00 H new ATOM 1641 N GLY A 110 -16.113 -3.985 10.539 1.00 0.00 N ATOM 1642 CA GLY A 110 -15.026 -3.638 9.642 1.00 0.00 C ATOM 1643 C GLY A 110 -14.268 -4.846 9.136 1.00 0.00 C ATOM 1644 O GLY A 110 -14.847 -5.712 8.476 1.00 0.00 O ATOM 0 H GLY A 110 -16.921 -4.420 10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.426 -3.085 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -14.335 -2.972 10.159 1.00 0.00 H new ATOM 1648 N ILE A 111 -12.958 -4.866 9.381 1.00 0.00 N ATOM 1649 CA ILE A 111 -12.093 -5.936 8.883 1.00 0.00 C ATOM 1650 C ILE A 111 -12.551 -7.295 9.389 1.00 0.00 C ATOM 1651 O ILE A 111 -12.957 -8.161 8.607 1.00 0.00 O ATOM 1652 CB ILE A 111 -10.617 -5.716 9.286 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -10.167 -4.297 8.926 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -9.720 -6.743 8.607 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -9.076 -3.761 9.825 1.00 0.00 C ATOM 0 H ILE A 111 -12.471 -4.152 9.923 1.00 0.00 H new ATOM 0 HA ILE A 111 -12.166 -5.913 7.796 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.534 -5.842 10.366 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.814 -4.288 7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -11.027 -3.629 8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.684 -6.573 8.902 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.023 -7.746 8.907 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.810 -6.646 7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -8.808 -2.752 9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -9.432 -3.737 10.855 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.200 -4.406 9.759 1.00 0.00 H new ATOM 1667 N ASP A 112 -12.603 -7.434 10.699 1.00 0.00 N ATOM 1668 CA ASP A 112 -13.134 -8.642 11.311 1.00 0.00 C ATOM 1669 C ASP A 112 -14.611 -8.452 11.606 1.00 0.00 C ATOM 1670 O ASP A 112 -15.016 -8.303 12.759 1.00 0.00 O ATOM 1671 CB ASP A 112 -12.376 -8.995 12.595 1.00 0.00 C ATOM 1672 CG ASP A 112 -12.807 -10.338 13.155 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -12.474 -11.373 12.541 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -13.498 -10.367 14.195 1.00 0.00 O ATOM 0 H ASP A 112 -12.285 -6.727 11.362 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.005 -9.469 10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.305 -9.013 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -12.545 -8.219 13.342 1.00 0.00 H new ATOM 1679 N ASP A 113 -15.399 -8.337 10.550 1.00 0.00 N ATOM 1680 CA ASP A 113 -16.819 -8.067 10.694 1.00 0.00 C ATOM 1681 C ASP A 113 -17.573 -9.327 11.075 1.00 0.00 C ATOM 1682 O ASP A 113 -17.033 -10.436 11.008 1.00 0.00 O ATOM 1683 CB ASP A 113 -17.400 -7.478 9.409 1.00 0.00 C ATOM 1684 CG ASP A 113 -18.293 -6.291 9.689 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -18.961 -6.283 10.744 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -18.323 -5.350 8.872 1.00 0.00 O ATOM 0 H ASP A 113 -15.080 -8.426 9.585 1.00 0.00 H new ATOM 0 HA ASP A 113 -16.935 -7.335 11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -16.588 -7.174 8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -17.969 -8.244 8.883 1.00 0.00 H new ATOM 1691 N GLU A 114 -18.802 -9.148 11.513 1.00 0.00 N ATOM 1692 CA GLU A 114 -19.627 -10.251 11.945 1.00 0.00 C ATOM 1693 C GLU A 114 -20.733 -10.510 10.930 1.00 0.00 C ATOM 1694 O GLU A 114 -20.494 -11.280 9.975 1.00 0.00 O ATOM 1695 CB GLU A 114 -20.221 -9.933 13.314 1.00 0.00 C ATOM 1696 CG GLU A 114 -19.797 -10.895 14.408 1.00 0.00 C ATOM 1697 CD GLU A 114 -20.231 -10.428 15.776 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -21.409 -10.635 16.133 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -19.403 -9.836 16.498 1.00 0.00 O ATOM 1700 OXT GLU A 114 -21.829 -9.933 11.086 1.00 0.00 O ATOM 0 H GLU A 114 -19.254 -8.236 11.579 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.017 -11.151 12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.929 -8.922 13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -21.308 -9.941 13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -20.222 -11.879 14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -18.713 -11.007 14.391 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -4.510 -9.763 -0.376 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 11.169 -3.498 3.463 1.00 0.00 ZN