USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 MET CE :methyl -135:sc= -11.5! (180deg=-13.7!) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= -10.4! C(o=-25!,f=-22!) USER MOD Set 2.1: A 27 GLN : amide:sc= -6.05! C(o=-6.3!,f=-13!) USER MOD Set 2.2: A 105 MET CE :methyl -123:sc= -0.254 (180deg=0) USER MOD Set 3.1: A 23 THR OG1 : rot 130:sc= 0 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -159:sc= -0.106 (180deg=-0.519) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -6.61! C(o=-6.6!,f=-9.6!) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.351 F(o=-3.2,f=-0.35) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -80:sc= -2.84! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -11.3! C(o=-11!,f=-14!) USER MOD Single : A 54 GLN : amide:sc= -12.3! C(o=-12!,f=-15!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.497 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= 1.25 (180deg=0.675) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.34 F(o=-5.2!,f=-2.3) USER MOD Single : A 72 SER OG : rot -63:sc= 0.558 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.609 USER MOD Single : A 80 SER OG : rot 142:sc= -0.901 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -133:sc= 0.476 (180deg=-0.564) USER MOD Single : A 84 SER OG : rot 138:sc= -0.68! USER MOD Single : A 86 MET CE :methyl 177:sc= -1.35 (180deg=-1.46) USER MOD Single : A 91 ASN : amide:sc= -5.72! C(o=-5.7!,f=-7!) USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= -1.27! (180deg=-3.32!) USER MOD Single : A 103 GLN : amide:sc= -4.09 K(o=-4.1,f=-11!) USER MOD Single : A 107 HIS : no HD1:sc=-0.00172 X(o=-0.0017,f=-0.0017) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 5.996 -6.621 -7.456 1.00 0.00 N ATOM 34 CA THR A 3 6.975 -7.624 -7.860 1.00 0.00 C ATOM 35 C THR A 3 8.027 -7.053 -8.804 1.00 0.00 C ATOM 36 O THR A 3 8.899 -7.786 -9.272 1.00 0.00 O ATOM 37 CB THR A 3 6.338 -8.888 -8.482 1.00 0.00 C ATOM 38 OG1 THR A 3 5.881 -8.645 -9.820 1.00 0.00 O ATOM 39 CG2 THR A 3 5.189 -9.371 -7.616 1.00 0.00 C ATOM 0 HA THR A 3 7.464 -7.928 -6.934 1.00 0.00 H new ATOM 0 HB THR A 3 7.105 -9.661 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.485 -9.464 -10.184 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.747 -10.262 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.560 -9.610 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.434 -8.588 -7.544 1.00 0.00 H new ATOM 47 N ASP A 4 7.959 -5.747 -9.095 1.00 0.00 N ATOM 48 CA ASP A 4 8.964 -5.121 -9.953 1.00 0.00 C ATOM 49 C ASP A 4 10.332 -5.392 -9.350 1.00 0.00 C ATOM 50 O ASP A 4 11.103 -6.199 -9.869 1.00 0.00 O ATOM 51 CB ASP A 4 8.720 -3.614 -10.069 1.00 0.00 C ATOM 52 CG ASP A 4 7.468 -3.292 -10.863 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.379 -3.756 -10.468 1.00 0.00 O ATOM 54 OD2 ASP A 4 7.581 -2.579 -11.883 1.00 0.00 O ATOM 0 H ASP A 4 7.232 -5.117 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 4 8.905 -5.539 -10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.635 -3.184 -9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.580 -3.145 -10.546 1.00 0.00 H new ATOM 59 N ILE A 5 10.628 -4.714 -8.245 1.00 0.00 N ATOM 60 CA ILE A 5 11.865 -4.962 -7.534 1.00 0.00 C ATOM 61 C ILE A 5 11.507 -5.447 -6.135 1.00 0.00 C ATOM 62 O ILE A 5 11.332 -4.664 -5.210 1.00 0.00 O ATOM 63 CB ILE A 5 12.727 -3.691 -7.441 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.812 -3.018 -8.813 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.116 -4.027 -6.920 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.429 -1.639 -8.775 1.00 0.00 C ATOM 0 H ILE A 5 10.032 -3.998 -7.831 1.00 0.00 H new ATOM 0 HA ILE A 5 12.448 -5.710 -8.071 1.00 0.00 H new ATOM 0 HB ILE A 5 12.261 -2.998 -6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.396 -3.650 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.810 -2.947 -9.236 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.712 -3.117 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.035 -4.473 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.598 -4.733 -7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.456 -1.225 -9.783 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.833 -0.991 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.444 -1.705 -8.383 1.00 0.00 H new ATOM 78 N LEU A 6 11.444 -6.758 -6.011 1.00 0.00 N ATOM 79 CA LEU A 6 11.077 -7.400 -4.751 1.00 0.00 C ATOM 80 C LEU A 6 11.271 -8.909 -4.808 1.00 0.00 C ATOM 81 O LEU A 6 11.458 -9.482 -5.881 1.00 0.00 O ATOM 82 CB LEU A 6 9.611 -7.104 -4.423 1.00 0.00 C ATOM 83 CG LEU A 6 9.387 -6.030 -3.364 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.927 -4.736 -4.010 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.376 -6.499 -2.327 1.00 0.00 C ATOM 0 H LEU A 6 11.643 -7.409 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 6 11.730 -6.996 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.105 -6.800 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.137 -8.027 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 6 10.334 -5.845 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.772 -3.980 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.686 -4.389 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.992 -4.908 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.231 -5.718 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.426 -6.714 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.746 -7.401 -1.840 1.00 0.00 H new ATOM 97 N SER A 7 11.226 -9.545 -3.645 1.00 0.00 N ATOM 98 CA SER A 7 11.315 -10.994 -3.567 1.00 0.00 C ATOM 99 C SER A 7 9.932 -11.571 -3.856 1.00 0.00 C ATOM 100 O SER A 7 8.974 -11.285 -3.137 1.00 0.00 O ATOM 101 CB SER A 7 11.790 -11.430 -2.186 1.00 0.00 C ATOM 102 OG SER A 7 13.114 -10.991 -1.936 1.00 0.00 O ATOM 0 H SER A 7 11.128 -9.079 -2.743 1.00 0.00 H new ATOM 0 HA SER A 7 12.037 -11.360 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.121 -11.028 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.744 -12.516 -2.109 1.00 0.00 H new ATOM 0 HG SER A 7 13.392 -11.283 -1.043 1.00 0.00 H new ATOM 108 N ALA A 8 9.830 -12.377 -4.902 1.00 0.00 N ATOM 109 CA ALA A 8 8.549 -12.947 -5.303 1.00 0.00 C ATOM 110 C ALA A 8 7.903 -13.788 -4.205 1.00 0.00 C ATOM 111 O ALA A 8 6.753 -13.557 -3.834 1.00 0.00 O ATOM 112 CB ALA A 8 8.712 -13.769 -6.571 1.00 0.00 C ATOM 0 H ALA A 8 10.617 -12.652 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 8 7.877 -12.110 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.748 -14.189 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.084 -13.131 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.421 -14.578 -6.392 1.00 0.00 H new ATOM 118 N GLU A 9 8.642 -14.766 -3.690 1.00 0.00 N ATOM 119 CA GLU A 9 8.108 -15.655 -2.666 1.00 0.00 C ATOM 120 C GLU A 9 7.780 -14.891 -1.395 1.00 0.00 C ATOM 121 O GLU A 9 6.668 -14.979 -0.874 1.00 0.00 O ATOM 122 CB GLU A 9 9.119 -16.755 -2.358 1.00 0.00 C ATOM 123 CG GLU A 9 9.398 -17.654 -3.542 1.00 0.00 C ATOM 124 CD GLU A 9 8.181 -18.447 -3.973 1.00 0.00 C ATOM 125 OE1 GLU A 9 7.981 -19.562 -3.447 1.00 0.00 O ATOM 126 OE2 GLU A 9 7.428 -17.953 -4.838 1.00 0.00 O ATOM 0 H GLU A 9 9.605 -14.962 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 9 7.188 -16.098 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.053 -16.300 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.748 -17.359 -1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.747 -17.049 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.204 -18.342 -3.288 1.00 0.00 H new ATOM 133 N ASP A 10 8.755 -14.145 -0.902 1.00 0.00 N ATOM 134 CA ASP A 10 8.554 -13.350 0.294 1.00 0.00 C ATOM 135 C ASP A 10 7.379 -12.416 0.146 1.00 0.00 C ATOM 136 O ASP A 10 6.724 -12.103 1.126 1.00 0.00 O ATOM 137 CB ASP A 10 9.819 -12.568 0.632 1.00 0.00 C ATOM 138 CG ASP A 10 10.965 -13.469 1.046 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.714 -13.922 0.154 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.116 -13.720 2.260 1.00 0.00 O ATOM 0 H ASP A 10 9.687 -14.074 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 10 8.333 -14.033 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.120 -11.978 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.604 -11.866 1.437 1.00 0.00 H new ATOM 145 N ILE A 11 7.094 -11.975 -1.065 1.00 0.00 N ATOM 146 CA ILE A 11 5.965 -11.083 -1.265 1.00 0.00 C ATOM 147 C ILE A 11 4.673 -11.799 -0.856 1.00 0.00 C ATOM 148 O ILE A 11 3.872 -11.270 -0.086 1.00 0.00 O ATOM 149 CB ILE A 11 5.919 -10.583 -2.737 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.623 -9.227 -2.853 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.499 -10.484 -3.296 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.686 -8.703 -4.272 1.00 0.00 C ATOM 0 H ILE A 11 7.615 -12.213 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 11 6.076 -10.200 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 11 6.441 -11.329 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.103 -8.501 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.636 -9.317 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.537 -10.130 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.027 -11.466 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.919 -9.785 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.197 -7.740 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.232 -9.410 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.675 -8.581 -4.660 1.00 0.00 H new ATOM 164 N ALA A 12 4.485 -13.003 -1.384 1.00 0.00 N ATOM 165 CA ALA A 12 3.298 -13.786 -1.071 1.00 0.00 C ATOM 166 C ALA A 12 3.178 -13.989 0.418 1.00 0.00 C ATOM 167 O ALA A 12 2.148 -13.695 0.997 1.00 0.00 O ATOM 168 CB ALA A 12 3.339 -15.126 -1.772 1.00 0.00 C ATOM 0 H ALA A 12 5.135 -13.455 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 12 2.427 -13.235 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.442 -15.694 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.384 -14.971 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.220 -15.679 -1.448 1.00 0.00 H new ATOM 174 N ALA A 13 4.241 -14.469 1.040 1.00 0.00 N ATOM 175 CA ALA A 13 4.225 -14.683 2.480 1.00 0.00 C ATOM 176 C ALA A 13 4.046 -13.348 3.185 1.00 0.00 C ATOM 177 O ALA A 13 3.192 -13.187 4.055 1.00 0.00 O ATOM 178 CB ALA A 13 5.506 -15.359 2.936 1.00 0.00 C ATOM 0 H ALA A 13 5.117 -14.716 0.579 1.00 0.00 H new ATOM 0 HA ALA A 13 3.392 -15.339 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.474 -15.510 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.606 -16.323 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.359 -14.730 2.683 1.00 0.00 H new ATOM 184 N ALA A 14 4.881 -12.401 2.785 1.00 0.00 N ATOM 185 CA ALA A 14 4.839 -11.052 3.332 1.00 0.00 C ATOM 186 C ALA A 14 3.412 -10.524 3.324 1.00 0.00 C ATOM 187 O ALA A 14 2.928 -9.991 4.323 1.00 0.00 O ATOM 188 CB ALA A 14 5.734 -10.124 2.523 1.00 0.00 C ATOM 0 H ALA A 14 5.602 -12.543 2.078 1.00 0.00 H new ATOM 0 HA ALA A 14 5.201 -11.086 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.692 -9.120 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.761 -10.489 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.391 -10.098 1.489 1.00 0.00 H new ATOM 194 N LEU A 15 2.747 -10.677 2.190 1.00 0.00 N ATOM 195 CA LEU A 15 1.374 -10.230 2.050 1.00 0.00 C ATOM 196 C LEU A 15 0.429 -11.179 2.779 1.00 0.00 C ATOM 197 O LEU A 15 -0.309 -10.777 3.671 1.00 0.00 O ATOM 198 CB LEU A 15 0.998 -10.151 0.569 1.00 0.00 C ATOM 199 CG LEU A 15 -0.228 -9.286 0.229 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.772 -9.643 -1.148 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.320 -9.430 1.282 1.00 0.00 C ATOM 0 H LEU A 15 3.138 -11.108 1.353 1.00 0.00 H new ATOM 0 HA LEU A 15 1.283 -9.239 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.855 -9.764 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.816 -11.163 0.206 1.00 0.00 H new ATOM 0 HG LEU A 15 0.095 -8.245 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.639 -9.020 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.001 -9.472 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.066 -10.692 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.171 -8.806 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.637 -10.471 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.934 -9.116 2.252 1.00 0.00 H new ATOM 213 N GLN A 16 0.495 -12.452 2.402 1.00 0.00 N ATOM 214 CA GLN A 16 -0.360 -13.506 2.941 1.00 0.00 C ATOM 215 C GLN A 16 -0.113 -13.818 4.417 1.00 0.00 C ATOM 216 O GLN A 16 -0.820 -14.646 4.991 1.00 0.00 O ATOM 217 CB GLN A 16 -0.110 -14.789 2.148 1.00 0.00 C ATOM 218 CG GLN A 16 -0.611 -14.770 0.710 1.00 0.00 C ATOM 219 CD GLN A 16 -0.707 -13.391 0.087 1.00 0.00 C ATOM 220 OE1 GLN A 16 0.176 -12.978 -0.663 1.00 0.00 O ATOM 221 NE2 GLN A 16 -1.780 -12.674 0.399 1.00 0.00 N ATOM 0 H GLN A 16 1.156 -12.787 1.701 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.385 -13.144 2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.961 -14.989 2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.586 -15.619 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.053 -15.383 0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.595 -15.237 0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.486 -13.059 1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.898 -11.738 0.012 1.00 0.00 H new ATOM 230 N GLU A 17 0.869 -13.181 5.042 1.00 0.00 N ATOM 231 CA GLU A 17 1.192 -13.525 6.420 1.00 0.00 C ATOM 232 C GLU A 17 0.055 -13.217 7.388 1.00 0.00 C ATOM 233 O GLU A 17 -0.644 -14.123 7.843 1.00 0.00 O ATOM 234 CB GLU A 17 2.469 -12.775 6.840 1.00 0.00 C ATOM 235 CG GLU A 17 2.681 -12.659 8.343 1.00 0.00 C ATOM 236 CD GLU A 17 4.045 -12.101 8.700 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.996 -12.899 8.833 1.00 0.00 O ATOM 238 OE2 GLU A 17 4.160 -10.866 8.850 1.00 0.00 O ATOM 0 H GLU A 17 1.441 -12.444 4.631 1.00 0.00 H new ATOM 0 HA GLU A 17 1.353 -14.602 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.330 -13.282 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.440 -11.772 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.908 -12.017 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.564 -13.642 8.799 1.00 0.00 H new ATOM 245 N CYS A 18 -0.128 -11.947 7.700 1.00 0.00 N ATOM 246 CA CYS A 18 -1.160 -11.508 8.627 1.00 0.00 C ATOM 247 C CYS A 18 -2.324 -10.813 7.937 1.00 0.00 C ATOM 248 O CYS A 18 -3.229 -10.329 8.612 1.00 0.00 O ATOM 249 CB CYS A 18 -0.550 -10.575 9.661 1.00 0.00 C ATOM 250 SG CYS A 18 0.007 -11.401 11.169 1.00 0.00 S ATOM 0 H CYS A 18 0.435 -11.187 7.318 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.561 -12.402 9.104 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.296 -10.056 9.211 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.285 -9.815 9.927 1.00 0.00 H new ATOM 0 HG CYS A 18 0.512 -10.523 11.984 1.00 0.00 H new ATOM 256 N GLN A 19 -2.319 -10.773 6.606 1.00 0.00 N ATOM 257 CA GLN A 19 -3.333 -10.012 5.872 1.00 0.00 C ATOM 258 C GLN A 19 -4.735 -10.219 6.437 1.00 0.00 C ATOM 259 O GLN A 19 -5.112 -11.318 6.844 1.00 0.00 O ATOM 260 CB GLN A 19 -3.320 -10.409 4.398 1.00 0.00 C ATOM 261 CG GLN A 19 -4.297 -9.624 3.542 1.00 0.00 C ATOM 262 CD GLN A 19 -4.394 -10.161 2.126 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.225 -11.356 1.889 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.662 -9.272 1.176 1.00 0.00 N ATOM 0 H GLN A 19 -1.635 -11.251 6.019 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.081 -8.957 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.313 -10.271 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.552 -11.471 4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.283 -9.651 4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.988 -8.579 3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.795 -8.290 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.735 -9.571 0.204 1.00 0.00 H new ATOM 273 N ASP A 20 -5.494 -9.124 6.436 1.00 0.00 N ATOM 274 CA ASP A 20 -6.852 -9.106 6.967 1.00 0.00 C ATOM 275 C ASP A 20 -7.373 -7.672 7.020 1.00 0.00 C ATOM 276 O ASP A 20 -6.598 -6.737 7.223 1.00 0.00 O ATOM 277 CB ASP A 20 -6.876 -9.725 8.368 1.00 0.00 C ATOM 278 CG ASP A 20 -8.214 -9.586 9.066 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.426 -8.560 9.746 1.00 0.00 O ATOM 280 OD2 ASP A 20 -9.051 -10.504 8.934 1.00 0.00 O ATOM 0 H ASP A 20 -5.183 -8.226 6.067 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.496 -9.692 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.622 -10.782 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.106 -9.254 8.978 1.00 0.00 H new ATOM 285 N PRO A 21 -8.684 -7.478 6.820 1.00 0.00 N ATOM 286 CA PRO A 21 -9.313 -6.155 6.871 1.00 0.00 C ATOM 287 C PRO A 21 -9.185 -5.494 8.243 1.00 0.00 C ATOM 288 O PRO A 21 -10.193 -5.253 8.902 1.00 0.00 O ATOM 289 CB PRO A 21 -10.780 -6.456 6.566 1.00 0.00 C ATOM 290 CG PRO A 21 -10.953 -7.895 6.887 1.00 0.00 C ATOM 291 CD PRO A 21 -9.660 -8.527 6.504 1.00 0.00 C ATOM 0 HA PRO A 21 -8.845 -5.457 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.443 -5.835 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.015 -6.254 5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.167 -8.041 7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.785 -8.327 6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.472 -9.439 7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.638 -8.796 5.448 1.00 0.00 H new ATOM 299 N ASP A 22 -7.941 -5.186 8.651 1.00 0.00 N ATOM 300 CA ASP A 22 -7.661 -4.554 9.960 1.00 0.00 C ATOM 301 C ASP A 22 -6.207 -4.770 10.433 1.00 0.00 C ATOM 302 O ASP A 22 -5.811 -4.221 11.461 1.00 0.00 O ATOM 303 CB ASP A 22 -8.616 -5.085 11.047 1.00 0.00 C ATOM 304 CG ASP A 22 -8.260 -4.609 12.445 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.455 -5.289 13.117 1.00 0.00 O ATOM 306 OD2 ASP A 22 -8.786 -3.558 12.868 1.00 0.00 O ATOM 0 H ASP A 22 -7.107 -5.364 8.092 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.817 -3.486 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.633 -4.771 10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.606 -6.175 11.028 1.00 0.00 H new ATOM 311 N THR A 23 -5.409 -5.549 9.703 1.00 0.00 N ATOM 312 CA THR A 23 -4.037 -5.820 10.125 1.00 0.00 C ATOM 313 C THR A 23 -2.996 -5.033 9.333 1.00 0.00 C ATOM 314 O THR A 23 -1.884 -4.832 9.820 1.00 0.00 O ATOM 315 CB THR A 23 -3.712 -7.314 9.986 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.423 -7.592 10.547 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.734 -7.728 8.522 1.00 0.00 C ATOM 0 H THR A 23 -5.684 -5.997 8.829 1.00 0.00 H new ATOM 0 HA THR A 23 -3.984 -5.504 11.167 1.00 0.00 H new ATOM 0 HB THR A 23 -4.469 -7.884 10.526 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.491 -8.351 11.163 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.502 -8.790 8.441 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.724 -7.540 8.106 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.992 -7.151 7.970 1.00 0.00 H new ATOM 325 N PHE A 24 -3.357 -4.632 8.104 1.00 0.00 N ATOM 326 CA PHE A 24 -2.466 -3.877 7.199 1.00 0.00 C ATOM 327 C PHE A 24 -1.880 -4.813 6.166 1.00 0.00 C ATOM 328 O PHE A 24 -0.848 -5.445 6.386 1.00 0.00 O ATOM 329 CB PHE A 24 -1.352 -3.139 7.935 1.00 0.00 C ATOM 330 CG PHE A 24 -0.932 -1.867 7.271 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.395 -1.857 6.003 1.00 0.00 C ATOM 332 CD2 PHE A 24 -1.062 -0.678 7.939 1.00 0.00 C ATOM 333 CE1 PHE A 24 0.002 -0.664 5.421 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.663 0.508 7.375 1.00 0.00 C ATOM 335 CZ PHE A 24 -0.130 0.514 6.111 1.00 0.00 C ATOM 0 H PHE A 24 -4.277 -4.821 7.706 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.074 -3.114 6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.684 -2.917 8.949 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.487 -3.797 8.020 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.283 -2.784 5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.488 -0.674 8.931 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.416 -0.662 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.768 1.432 7.924 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.185 1.444 5.660 1.00 0.00 H new ATOM 345 N GLU A 25 -2.546 -4.887 5.039 1.00 0.00 N ATOM 346 CA GLU A 25 -2.148 -5.793 3.964 1.00 0.00 C ATOM 347 C GLU A 25 -0.996 -5.291 3.079 1.00 0.00 C ATOM 348 O GLU A 25 -0.120 -6.074 2.710 1.00 0.00 O ATOM 349 CB GLU A 25 -3.357 -6.095 3.083 1.00 0.00 C ATOM 350 CG GLU A 25 -4.642 -6.299 3.863 1.00 0.00 C ATOM 351 CD GLU A 25 -5.818 -6.649 2.972 1.00 0.00 C ATOM 352 OE1 GLU A 25 -6.359 -5.733 2.318 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.198 -7.838 2.929 1.00 0.00 O ATOM 0 H GLU A 25 -3.375 -4.329 4.832 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.772 -6.687 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.496 -5.275 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.153 -6.990 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.496 -7.094 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.872 -5.391 4.421 1.00 0.00 H new ATOM 360 N PRO A 26 -0.967 -3.998 2.725 1.00 0.00 N ATOM 361 CA PRO A 26 0.062 -3.462 1.826 1.00 0.00 C ATOM 362 C PRO A 26 1.478 -3.403 2.410 1.00 0.00 C ATOM 363 O PRO A 26 2.415 -3.947 1.828 1.00 0.00 O ATOM 364 CB PRO A 26 -0.432 -2.053 1.492 1.00 0.00 C ATOM 365 CG PRO A 26 -1.443 -1.701 2.523 1.00 0.00 C ATOM 366 CD PRO A 26 -1.918 -2.972 3.174 1.00 0.00 C ATOM 0 HA PRO A 26 0.173 -4.122 0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.393 -1.341 1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.870 -2.022 0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.009 -1.033 3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.280 -1.172 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.921 -2.883 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.936 -3.216 2.871 1.00 0.00 H new ATOM 374 N GLN A 27 1.636 -2.743 3.547 1.00 0.00 N ATOM 375 CA GLN A 27 2.965 -2.586 4.163 1.00 0.00 C ATOM 376 C GLN A 27 3.631 -3.915 4.484 1.00 0.00 C ATOM 377 O GLN A 27 4.850 -4.036 4.373 1.00 0.00 O ATOM 378 CB GLN A 27 2.912 -1.734 5.432 1.00 0.00 C ATOM 379 CG GLN A 27 3.018 -0.241 5.163 1.00 0.00 C ATOM 380 CD GLN A 27 3.054 0.593 6.425 1.00 0.00 C ATOM 381 OE1 GLN A 27 3.747 1.608 6.490 1.00 0.00 O ATOM 382 NE2 GLN A 27 2.289 0.186 7.426 1.00 0.00 N ATOM 0 H GLN A 27 0.874 -2.307 4.066 1.00 0.00 H new ATOM 0 HA GLN A 27 3.567 -2.075 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.978 -1.935 5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.722 -2.034 6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.919 -0.047 4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.171 0.072 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.730 -0.662 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.258 0.720 8.294 1.00 0.00 H new ATOM 391 N LYS A 28 2.853 -4.910 4.883 1.00 0.00 N ATOM 392 CA LYS A 28 3.428 -6.197 5.216 1.00 0.00 C ATOM 393 C LYS A 28 4.016 -6.812 3.965 1.00 0.00 C ATOM 394 O LYS A 28 5.128 -7.338 3.975 1.00 0.00 O ATOM 395 CB LYS A 28 2.387 -7.108 5.837 1.00 0.00 C ATOM 396 CG LYS A 28 2.749 -7.552 7.237 1.00 0.00 C ATOM 397 CD LYS A 28 1.670 -8.430 7.850 1.00 0.00 C ATOM 398 CE LYS A 28 0.502 -7.606 8.364 1.00 0.00 C ATOM 399 NZ LYS A 28 0.910 -6.690 9.467 1.00 0.00 N ATOM 0 H LYS A 28 1.840 -4.851 4.982 1.00 0.00 H new ATOM 0 HA LYS A 28 4.219 -6.062 5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.428 -6.590 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.258 -7.987 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.691 -8.099 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.905 -6.676 7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.314 -9.142 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.095 -9.010 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.081 -7.023 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.284 -8.273 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.072 -6.418 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.592 -7.174 10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.351 -5.838 9.065 1.00 0.00 H new ATOM 413 N PHE A 29 3.256 -6.728 2.886 1.00 0.00 N ATOM 414 CA PHE A 29 3.696 -7.217 1.592 1.00 0.00 C ATOM 415 C PHE A 29 5.047 -6.594 1.257 1.00 0.00 C ATOM 416 O PHE A 29 6.010 -7.287 0.929 1.00 0.00 O ATOM 417 CB PHE A 29 2.641 -6.829 0.541 1.00 0.00 C ATOM 418 CG PHE A 29 3.037 -7.041 -0.904 1.00 0.00 C ATOM 419 CD1 PHE A 29 4.099 -6.354 -1.472 1.00 0.00 C ATOM 420 CD2 PHE A 29 2.324 -7.921 -1.700 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.443 -6.546 -2.797 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.662 -8.118 -3.025 1.00 0.00 C ATOM 423 CZ PHE A 29 3.724 -7.430 -3.574 1.00 0.00 C ATOM 0 H PHE A 29 2.321 -6.321 2.883 1.00 0.00 H new ATOM 0 HA PHE A 29 3.808 -8.301 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.734 -7.401 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.390 -5.777 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.666 -5.659 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.490 -8.462 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.274 -6.004 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.095 -8.810 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.992 -7.583 -4.609 1.00 0.00 H new ATOM 433 N PHE A 30 5.090 -5.267 1.349 1.00 0.00 N ATOM 434 CA PHE A 30 6.295 -4.509 1.045 1.00 0.00 C ATOM 435 C PHE A 30 7.408 -4.777 2.046 1.00 0.00 C ATOM 436 O PHE A 30 8.470 -5.273 1.698 1.00 0.00 O ATOM 437 CB PHE A 30 6.002 -3.004 1.058 1.00 0.00 C ATOM 438 CG PHE A 30 4.746 -2.610 0.342 1.00 0.00 C ATOM 439 CD1 PHE A 30 4.421 -3.188 -0.866 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.892 -1.661 0.881 1.00 0.00 C ATOM 441 CE1 PHE A 30 3.263 -2.831 -1.532 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.733 -1.298 0.222 1.00 0.00 C ATOM 443 CZ PHE A 30 2.417 -1.886 -0.987 1.00 0.00 C ATOM 0 H PHE A 30 4.296 -4.693 1.634 1.00 0.00 H new ATOM 0 HA PHE A 30 6.619 -4.831 0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.936 -2.668 2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.843 -2.479 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.078 -3.928 -1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.135 -1.200 1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.020 -3.291 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.076 -0.556 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.511 -1.607 -1.504 1.00 0.00 H new ATOM 453 N GLN A 31 7.115 -4.495 3.301 1.00 0.00 N ATOM 454 CA GLN A 31 8.097 -4.590 4.384 1.00 0.00 C ATOM 455 C GLN A 31 8.762 -5.946 4.513 1.00 0.00 C ATOM 456 O GLN A 31 9.964 -6.080 4.281 1.00 0.00 O ATOM 457 CB GLN A 31 7.417 -4.234 5.706 1.00 0.00 C ATOM 458 CG GLN A 31 8.384 -3.897 6.827 1.00 0.00 C ATOM 459 CD GLN A 31 8.714 -2.413 6.900 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.696 -1.733 5.755 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.983 -1.883 7.977 1.00 0.00 N flip ATOM 0 H GLN A 31 6.190 -4.192 3.607 1.00 0.00 H new ATOM 0 HA GLN A 31 8.893 -3.888 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.754 -3.384 5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.792 -5.071 6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.956 -4.216 7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.305 -4.462 6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.986 -2.439 8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.203 -0.888 8.015 1.00 0.00 H new ATOM 470 N THR A 32 7.994 -6.941 4.877 1.00 0.00 N ATOM 471 CA THR A 32 8.545 -8.272 5.078 1.00 0.00 C ATOM 472 C THR A 32 9.405 -8.721 3.894 1.00 0.00 C ATOM 473 O THR A 32 10.552 -9.132 4.070 1.00 0.00 O ATOM 474 CB THR A 32 7.430 -9.302 5.343 1.00 0.00 C ATOM 475 OG1 THR A 32 6.725 -8.959 6.542 1.00 0.00 O ATOM 476 CG2 THR A 32 7.996 -10.711 5.471 1.00 0.00 C ATOM 0 H THR A 32 6.990 -6.864 5.041 1.00 0.00 H new ATOM 0 HA THR A 32 9.187 -8.217 5.957 1.00 0.00 H new ATOM 0 HB THR A 32 6.747 -9.283 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.016 -9.616 6.704 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.184 -11.414 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.507 -10.983 4.547 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.703 -10.745 6.300 1.00 0.00 H new ATOM 484 N SER A 33 8.845 -8.645 2.693 1.00 0.00 N ATOM 485 CA SER A 33 9.545 -9.080 1.490 1.00 0.00 C ATOM 486 C SER A 33 10.503 -8.038 0.904 1.00 0.00 C ATOM 487 O SER A 33 11.710 -8.269 0.822 1.00 0.00 O ATOM 488 CB SER A 33 8.534 -9.514 0.431 1.00 0.00 C ATOM 489 OG SER A 33 9.179 -10.106 -0.682 1.00 0.00 O ATOM 0 H SER A 33 7.905 -8.285 2.526 1.00 0.00 H new ATOM 0 HA SER A 33 10.170 -9.920 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.830 -10.223 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.955 -8.651 0.102 1.00 0.00 H new ATOM 0 HG SER A 33 9.534 -9.404 -1.266 1.00 0.00 H new ATOM 495 N GLY A 34 9.956 -6.896 0.500 1.00 0.00 N ATOM 496 CA GLY A 34 10.767 -5.899 -0.179 1.00 0.00 C ATOM 497 C GLY A 34 11.308 -4.724 0.631 1.00 0.00 C ATOM 498 O GLY A 34 12.518 -4.615 0.829 1.00 0.00 O ATOM 0 H GLY A 34 8.976 -6.643 0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.618 -6.413 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.174 -5.492 -0.998 1.00 0.00 H new ATOM 502 N LEU A 35 10.412 -3.865 1.122 1.00 0.00 N ATOM 503 CA LEU A 35 10.782 -2.635 1.818 1.00 0.00 C ATOM 504 C LEU A 35 11.988 -2.826 2.728 1.00 0.00 C ATOM 505 O LEU A 35 12.906 -2.005 2.742 1.00 0.00 O ATOM 506 CB LEU A 35 9.574 -2.132 2.615 1.00 0.00 C ATOM 507 CG LEU A 35 8.936 -0.840 2.116 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.790 -0.846 0.600 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.582 -0.648 2.767 1.00 0.00 C ATOM 0 H LEU A 35 9.405 -4.006 1.046 1.00 0.00 H new ATOM 0 HA LEU A 35 11.072 -1.893 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.814 -2.913 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.882 -1.986 3.650 1.00 0.00 H new ATOM 0 HG LEU A 35 9.590 -0.011 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.332 0.088 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.773 -0.948 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.160 -1.683 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.132 0.277 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.935 -1.488 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.703 -0.594 3.849 1.00 0.00 H new ATOM 521 N SER A 36 11.978 -3.909 3.484 1.00 0.00 N ATOM 522 CA SER A 36 13.068 -4.224 4.399 1.00 0.00 C ATOM 523 C SER A 36 14.456 -3.894 3.827 1.00 0.00 C ATOM 524 O SER A 36 15.377 -3.614 4.594 1.00 0.00 O ATOM 525 CB SER A 36 13.014 -5.702 4.786 1.00 0.00 C ATOM 526 OG SER A 36 13.105 -6.534 3.642 1.00 0.00 O ATOM 0 H SER A 36 11.221 -4.593 3.484 1.00 0.00 H new ATOM 0 HA SER A 36 12.927 -3.594 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.830 -5.931 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.084 -5.908 5.316 1.00 0.00 H new ATOM 0 HG SER A 36 13.070 -7.474 3.917 1.00 0.00 H new ATOM 532 N LYS A 37 14.628 -3.923 2.498 1.00 0.00 N ATOM 533 CA LYS A 37 15.951 -3.633 1.926 1.00 0.00 C ATOM 534 C LYS A 37 15.917 -3.101 0.488 1.00 0.00 C ATOM 535 O LYS A 37 16.649 -3.594 -0.370 1.00 0.00 O ATOM 536 CB LYS A 37 16.812 -4.894 1.961 1.00 0.00 C ATOM 537 CG LYS A 37 17.169 -5.359 3.360 1.00 0.00 C ATOM 538 CD LYS A 37 18.030 -4.339 4.085 1.00 0.00 C ATOM 539 CE LYS A 37 18.363 -4.796 5.496 1.00 0.00 C ATOM 540 NZ LYS A 37 19.249 -3.829 6.199 1.00 0.00 N ATOM 0 H LYS A 37 13.897 -4.136 1.819 1.00 0.00 H new ATOM 0 HA LYS A 37 16.372 -2.839 2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.284 -5.697 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.731 -4.709 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.256 -5.536 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.699 -6.310 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.952 -4.176 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.508 -3.383 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.441 -4.922 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.849 -5.771 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.452 -4.178 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.140 -3.727 5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.775 -2.905 6.260 1.00 0.00 H new ATOM 554 N MET A 38 15.081 -2.107 0.217 1.00 0.00 N ATOM 555 CA MET A 38 15.024 -1.522 -1.125 1.00 0.00 C ATOM 556 C MET A 38 15.303 -0.023 -1.110 1.00 0.00 C ATOM 557 O MET A 38 15.066 0.655 -0.111 1.00 0.00 O ATOM 558 CB MET A 38 13.669 -1.754 -1.775 1.00 0.00 C ATOM 559 CG MET A 38 12.534 -1.961 -0.809 1.00 0.00 C ATOM 560 SD MET A 38 10.970 -1.418 -1.486 1.00 0.00 S ATOM 561 CE MET A 38 10.225 -3.004 -1.857 1.00 0.00 C ATOM 0 H MET A 38 14.441 -1.691 0.893 1.00 0.00 H new ATOM 0 HA MET A 38 15.801 -2.022 -1.703 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.436 -0.900 -2.411 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.738 -2.626 -2.425 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.469 -3.017 -0.547 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.739 -1.416 0.113 1.00 0.00 H new ATOM 0 HE1 MET A 38 9.775 -2.972 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.990 -3.780 -1.830 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.456 -3.227 -1.117 1.00 0.00 H new ATOM 571 N SER A 39 15.812 0.484 -2.233 1.00 0.00 N ATOM 572 CA SER A 39 16.103 1.902 -2.377 1.00 0.00 C ATOM 573 C SER A 39 14.812 2.699 -2.538 1.00 0.00 C ATOM 574 O SER A 39 13.749 2.121 -2.748 1.00 0.00 O ATOM 575 CB SER A 39 17.020 2.138 -3.580 1.00 0.00 C ATOM 576 OG SER A 39 18.251 1.456 -3.423 1.00 0.00 O ATOM 0 H SER A 39 16.031 -0.074 -3.058 1.00 0.00 H new ATOM 0 HA SER A 39 16.612 2.242 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.526 1.798 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.204 3.206 -3.697 1.00 0.00 H new ATOM 0 HG SER A 39 18.818 1.621 -4.205 1.00 0.00 H new ATOM 582 N ALA A 40 14.917 4.022 -2.450 1.00 0.00 N ATOM 583 CA ALA A 40 13.753 4.904 -2.576 1.00 0.00 C ATOM 584 C ALA A 40 13.111 4.823 -3.968 1.00 0.00 C ATOM 585 O ALA A 40 11.886 4.861 -4.098 1.00 0.00 O ATOM 586 CB ALA A 40 14.139 6.341 -2.256 1.00 0.00 C ATOM 0 H ALA A 40 15.798 4.511 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 40 13.010 4.562 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.264 6.983 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.518 6.397 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.912 6.673 -2.949 1.00 0.00 H new ATOM 592 N SER A 41 13.945 4.713 -5.002 1.00 0.00 N ATOM 593 CA SER A 41 13.479 4.676 -6.389 1.00 0.00 C ATOM 594 C SER A 41 12.378 3.652 -6.637 1.00 0.00 C ATOM 595 O SER A 41 11.275 4.010 -7.048 1.00 0.00 O ATOM 596 CB SER A 41 14.655 4.383 -7.319 1.00 0.00 C ATOM 597 OG SER A 41 15.432 3.301 -6.834 1.00 0.00 O ATOM 0 H SER A 41 14.958 4.647 -4.903 1.00 0.00 H new ATOM 0 HA SER A 41 13.051 5.657 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.284 4.150 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.280 5.271 -7.411 1.00 0.00 H new ATOM 0 HG SER A 41 16.177 3.132 -7.448 1.00 0.00 H new ATOM 603 N GLN A 42 12.671 2.384 -6.390 1.00 0.00 N ATOM 604 CA GLN A 42 11.684 1.332 -6.631 1.00 0.00 C ATOM 605 C GLN A 42 10.423 1.560 -5.816 1.00 0.00 C ATOM 606 O GLN A 42 9.335 1.133 -6.196 1.00 0.00 O ATOM 607 CB GLN A 42 12.246 -0.043 -6.328 1.00 0.00 C ATOM 608 CG GLN A 42 12.507 -0.266 -4.867 1.00 0.00 C ATOM 609 CD GLN A 42 12.849 -1.712 -4.561 1.00 0.00 C ATOM 610 OE1 GLN A 42 11.859 -2.473 -4.094 1.00 0.00 O flip ATOM 611 NE2 GLN A 42 13.994 -2.135 -4.715 1.00 0.00 N flip ATOM 0 H GLN A 42 13.567 2.058 -6.029 1.00 0.00 H new ATOM 0 HA GLN A 42 11.431 1.376 -7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.548 -0.800 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.175 -0.179 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.327 0.376 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.628 0.027 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.722 -1.518 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.216 -3.103 -4.482 1.00 0.00 H new ATOM 620 N VAL A 43 10.574 2.266 -4.711 1.00 0.00 N ATOM 621 CA VAL A 43 9.435 2.531 -3.846 1.00 0.00 C ATOM 622 C VAL A 43 8.342 3.223 -4.644 1.00 0.00 C ATOM 623 O VAL A 43 7.161 2.937 -4.473 1.00 0.00 O ATOM 624 CB VAL A 43 9.779 3.405 -2.634 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.663 3.318 -1.612 1.00 0.00 C ATOM 626 CG2 VAL A 43 11.113 3.003 -2.028 1.00 0.00 C ATOM 0 H VAL A 43 11.459 2.662 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 43 9.104 1.564 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 43 9.875 4.440 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.909 3.940 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.732 3.668 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.544 2.283 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.330 3.640 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.067 1.963 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.900 3.117 -2.773 1.00 0.00 H new ATOM 636 N LYS A 44 8.744 4.146 -5.509 1.00 0.00 N ATOM 637 CA LYS A 44 7.793 4.842 -6.361 1.00 0.00 C ATOM 638 C LYS A 44 6.967 3.828 -7.141 1.00 0.00 C ATOM 639 O LYS A 44 5.739 3.898 -7.173 1.00 0.00 O ATOM 640 CB LYS A 44 8.519 5.776 -7.329 1.00 0.00 C ATOM 641 CG LYS A 44 9.095 7.008 -6.663 1.00 0.00 C ATOM 642 CD LYS A 44 10.514 7.288 -7.124 1.00 0.00 C ATOM 643 CE LYS A 44 10.591 7.367 -8.633 1.00 0.00 C ATOM 644 NZ LYS A 44 11.996 7.347 -9.122 1.00 0.00 N ATOM 0 H LYS A 44 9.716 4.427 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 44 7.134 5.441 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.324 5.226 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.826 6.086 -8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.464 7.869 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.084 6.875 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.863 8.225 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.178 6.503 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.044 6.531 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.102 8.280 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.003 7.403 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.512 8.159 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.456 6.465 -8.820 1.00 0.00 H new ATOM 658 N ASP A 45 7.658 2.879 -7.765 1.00 0.00 N ATOM 659 CA ASP A 45 7.001 1.837 -8.532 1.00 0.00 C ATOM 660 C ASP A 45 6.201 0.937 -7.601 1.00 0.00 C ATOM 661 O ASP A 45 5.061 0.581 -7.884 1.00 0.00 O ATOM 662 CB ASP A 45 8.040 1.012 -9.289 1.00 0.00 C ATOM 663 CG ASP A 45 7.947 1.199 -10.791 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.480 2.208 -11.299 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.340 0.335 -11.461 1.00 0.00 O ATOM 0 H ASP A 45 8.676 2.814 -7.752 1.00 0.00 H new ATOM 0 HA ASP A 45 6.324 2.298 -9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.038 1.293 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.907 -0.043 -9.048 1.00 0.00 H new ATOM 670 N ILE A 46 6.821 0.570 -6.487 1.00 0.00 N ATOM 671 CA ILE A 46 6.189 -0.271 -5.491 1.00 0.00 C ATOM 672 C ILE A 46 4.893 0.374 -4.993 1.00 0.00 C ATOM 673 O ILE A 46 3.832 -0.251 -5.004 1.00 0.00 O ATOM 674 CB ILE A 46 7.201 -0.535 -4.349 1.00 0.00 C ATOM 675 CG1 ILE A 46 8.060 -1.745 -4.704 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.530 -0.734 -2.996 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.615 -1.733 -6.116 1.00 0.00 C ATOM 0 H ILE A 46 7.774 0.849 -6.253 1.00 0.00 H new ATOM 0 HA ILE A 46 5.908 -1.231 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 46 7.827 0.352 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.891 -1.803 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.465 -2.648 -4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.290 -0.915 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.963 0.160 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.856 -1.589 -3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.212 -2.630 -6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.792 -1.710 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.240 -0.851 -6.254 1.00 0.00 H new ATOM 689 N PHE A 47 4.991 1.625 -4.559 1.00 0.00 N ATOM 690 CA PHE A 47 3.836 2.377 -4.077 1.00 0.00 C ATOM 691 C PHE A 47 2.652 2.249 -5.018 1.00 0.00 C ATOM 692 O PHE A 47 1.498 2.348 -4.603 1.00 0.00 O ATOM 693 CB PHE A 47 4.199 3.845 -3.942 1.00 0.00 C ATOM 694 CG PHE A 47 3.055 4.705 -3.503 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.099 4.217 -2.629 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.925 5.993 -3.985 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.036 5.004 -2.242 1.00 0.00 C ATOM 698 CE2 PHE A 47 1.861 6.781 -3.604 1.00 0.00 C ATOM 699 CZ PHE A 47 0.918 6.284 -2.732 1.00 0.00 C ATOM 0 H PHE A 47 5.868 2.145 -4.531 1.00 0.00 H new ATOM 0 HA PHE A 47 3.555 1.964 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.014 3.945 -3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.570 4.209 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.187 3.211 -2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.664 6.386 -4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.297 4.617 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.767 7.786 -3.988 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.084 6.901 -2.432 1.00 0.00 H new ATOM 709 N ARG A 48 2.946 2.030 -6.288 1.00 0.00 N ATOM 710 CA ARG A 48 1.893 1.888 -7.287 1.00 0.00 C ATOM 711 C ARG A 48 0.903 0.814 -6.847 1.00 0.00 C ATOM 712 O ARG A 48 -0.249 0.803 -7.278 1.00 0.00 O ATOM 713 CB ARG A 48 2.474 1.545 -8.659 1.00 0.00 C ATOM 714 CG ARG A 48 3.395 2.620 -9.210 1.00 0.00 C ATOM 715 CD ARG A 48 2.698 3.971 -9.259 1.00 0.00 C ATOM 716 NE ARG A 48 3.355 4.899 -10.180 1.00 0.00 N ATOM 717 CZ ARG A 48 4.330 5.736 -9.834 1.00 0.00 C ATOM 718 NH1 ARG A 48 4.793 5.758 -8.591 1.00 0.00 N ATOM 719 NH2 ARG A 48 4.851 6.552 -10.741 1.00 0.00 N ATOM 0 H ARG A 48 3.895 1.947 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 48 1.373 2.842 -7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.024 0.607 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.656 1.383 -9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.288 2.691 -8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.725 2.342 -10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.661 3.832 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.680 4.405 -8.259 1.00 0.00 H new ATOM 0 HE ARG A 48 3.045 4.905 -11.152 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.401 5.129 -7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.541 6.404 -8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.504 6.537 -11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.598 7.195 -10.479 1.00 0.00 H new ATOM 733 N PHE A 49 1.368 -0.093 -5.981 1.00 0.00 N ATOM 734 CA PHE A 49 0.527 -1.158 -5.453 1.00 0.00 C ATOM 735 C PHE A 49 -0.811 -0.595 -4.985 1.00 0.00 C ATOM 736 O PHE A 49 -1.870 -1.093 -5.363 1.00 0.00 O ATOM 737 CB PHE A 49 1.240 -1.853 -4.294 1.00 0.00 C ATOM 738 CG PHE A 49 0.474 -3.005 -3.711 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.554 -4.264 -4.282 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.322 -2.830 -2.589 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.146 -5.328 -3.747 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.023 -3.892 -2.049 1.00 0.00 C ATOM 743 CZ PHE A 49 -0.935 -5.142 -2.629 1.00 0.00 C ATOM 0 H PHE A 49 2.327 -0.105 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 49 0.339 -1.884 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.209 -2.212 -4.640 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.432 -1.122 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.171 -4.416 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.395 -1.854 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.076 -6.305 -4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.639 -3.744 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.482 -5.973 -2.209 1.00 0.00 H new ATOM 753 N ILE A 50 -0.752 0.450 -4.162 1.00 0.00 N ATOM 754 CA ILE A 50 -1.968 1.090 -3.666 1.00 0.00 C ATOM 755 C ILE A 50 -2.644 1.819 -4.828 1.00 0.00 C ATOM 756 O ILE A 50 -2.507 1.397 -5.976 1.00 0.00 O ATOM 757 CB ILE A 50 -1.698 2.090 -2.503 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.362 1.802 -1.794 1.00 0.00 C ATOM 759 CG2 ILE A 50 -2.842 2.049 -1.519 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.189 2.519 -0.467 1.00 0.00 C ATOM 0 H ILE A 50 0.116 0.868 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.614 0.310 -3.262 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.624 3.090 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.278 0.728 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.456 2.087 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.649 2.750 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.767 2.325 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.937 1.042 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.778 2.260 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.238 3.596 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.983 2.217 0.216 1.00 0.00 H new ATOM 772 N ASP A 51 -3.367 2.903 -4.559 1.00 0.00 N ATOM 773 CA ASP A 51 -4.012 3.640 -5.637 1.00 0.00 C ATOM 774 C ASP A 51 -3.172 4.838 -6.077 1.00 0.00 C ATOM 775 O ASP A 51 -3.693 5.755 -6.689 1.00 0.00 O ATOM 776 CB ASP A 51 -5.396 4.126 -5.211 1.00 0.00 C ATOM 777 CG ASP A 51 -6.454 3.856 -6.261 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.381 4.466 -7.348 1.00 0.00 O ATOM 779 OD2 ASP A 51 -7.355 3.035 -5.996 1.00 0.00 O ATOM 0 H ASP A 51 -3.518 3.283 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.112 2.954 -6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.679 3.635 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.355 5.196 -5.008 1.00 0.00 H new ATOM 784 N ASN A 52 -1.868 4.798 -5.774 1.00 0.00 N ATOM 785 CA ASN A 52 -0.948 5.906 -6.133 1.00 0.00 C ATOM 786 C ASN A 52 -1.201 6.521 -7.518 1.00 0.00 C ATOM 787 O ASN A 52 -0.727 7.622 -7.795 1.00 0.00 O ATOM 788 CB ASN A 52 0.498 5.413 -6.068 1.00 0.00 C ATOM 789 CG ASN A 52 1.508 6.476 -6.481 1.00 0.00 C ATOM 790 OD1 ASN A 52 2.557 6.165 -7.041 1.00 0.00 O ATOM 791 ND2 ASN A 52 1.204 7.737 -6.194 1.00 0.00 N ATOM 0 H ASN A 52 -1.421 4.022 -5.286 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.138 6.695 -5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.719 5.085 -5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.609 4.543 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.851 8.486 -6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.323 7.956 -5.728 1.00 0.00 H new ATOM 798 N ASP A 53 -1.932 5.845 -8.382 1.00 0.00 N ATOM 799 CA ASP A 53 -2.258 6.398 -9.679 1.00 0.00 C ATOM 800 C ASP A 53 -3.727 6.791 -9.695 1.00 0.00 C ATOM 801 O ASP A 53 -4.578 5.986 -10.073 1.00 0.00 O ATOM 802 CB ASP A 53 -2.006 5.365 -10.762 1.00 0.00 C ATOM 803 CG ASP A 53 -2.187 5.926 -12.158 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.233 6.540 -12.680 1.00 0.00 O ATOM 805 OD2 ASP A 53 -3.282 5.750 -12.732 1.00 0.00 O ATOM 0 H ASP A 53 -2.310 4.914 -8.209 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.634 7.272 -9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.993 4.977 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.685 4.524 -10.622 1.00 0.00 H new ATOM 810 N GLN A 54 -4.041 8.019 -9.288 1.00 0.00 N ATOM 811 CA GLN A 54 -5.428 8.449 -9.259 1.00 0.00 C ATOM 812 C GLN A 54 -5.574 9.973 -9.302 1.00 0.00 C ATOM 813 O GLN A 54 -6.368 10.497 -10.084 1.00 0.00 O ATOM 814 CB GLN A 54 -6.130 7.896 -8.020 1.00 0.00 C ATOM 815 CG GLN A 54 -5.399 8.188 -6.729 1.00 0.00 C ATOM 816 CD GLN A 54 -6.179 7.734 -5.503 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.818 6.685 -5.513 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.162 8.560 -4.459 1.00 0.00 N ATOM 0 H GLN A 54 -3.365 8.718 -8.980 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.899 8.052 -10.158 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.134 8.317 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.243 6.817 -8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.429 7.691 -6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.207 9.259 -6.658 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.616 9.420 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.695 8.332 -3.620 1.00 0.00 H new ATOM 827 N SER A 55 -4.817 10.692 -8.472 1.00 0.00 N ATOM 828 CA SER A 55 -4.915 12.154 -8.446 1.00 0.00 C ATOM 829 C SER A 55 -3.652 12.815 -7.899 1.00 0.00 C ATOM 830 O SER A 55 -3.710 13.924 -7.368 1.00 0.00 O ATOM 831 CB SER A 55 -6.112 12.590 -7.599 1.00 0.00 C ATOM 832 OG SER A 55 -7.222 11.731 -7.801 1.00 0.00 O ATOM 0 H SER A 55 -4.140 10.296 -7.819 1.00 0.00 H new ATOM 0 HA SER A 55 -5.044 12.477 -9.479 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.835 12.589 -6.545 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.389 13.613 -7.855 1.00 0.00 H new ATOM 0 HG SER A 55 -7.973 12.031 -7.247 1.00 0.00 H new ATOM 838 N GLY A 56 -2.514 12.144 -8.022 1.00 0.00 N ATOM 839 CA GLY A 56 -1.277 12.714 -7.512 1.00 0.00 C ATOM 840 C GLY A 56 -1.004 12.306 -6.077 1.00 0.00 C ATOM 841 O GLY A 56 0.128 12.392 -5.602 1.00 0.00 O ATOM 0 H GLY A 56 -2.422 11.227 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.446 12.396 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.327 13.801 -7.575 1.00 0.00 H new ATOM 845 N TYR A 57 -2.049 11.862 -5.389 1.00 0.00 N ATOM 846 CA TYR A 57 -1.941 11.429 -4.005 1.00 0.00 C ATOM 847 C TYR A 57 -3.095 10.507 -3.677 1.00 0.00 C ATOM 848 O TYR A 57 -4.090 10.466 -4.402 1.00 0.00 O ATOM 849 CB TYR A 57 -1.974 12.623 -3.045 1.00 0.00 C ATOM 850 CG TYR A 57 -3.331 13.288 -2.943 1.00 0.00 C ATOM 851 CD1 TYR A 57 -4.385 12.694 -2.258 1.00 0.00 C ATOM 852 CD2 TYR A 57 -3.551 14.501 -3.550 1.00 0.00 C ATOM 853 CE1 TYR A 57 -5.622 13.308 -2.185 1.00 0.00 C ATOM 854 CE2 TYR A 57 -4.782 15.125 -3.489 1.00 0.00 C ATOM 855 CZ TYR A 57 -5.816 14.524 -2.804 1.00 0.00 C ATOM 856 OH TYR A 57 -7.045 15.139 -2.738 1.00 0.00 O ATOM 0 H TYR A 57 -2.991 11.793 -5.775 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.990 10.911 -3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.668 12.289 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.242 13.361 -3.373 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.236 11.739 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.744 14.977 -4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.431 12.837 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.933 16.078 -3.975 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.012 15.989 -3.226 1.00 0.00 H new ATOM 866 N LEU A 58 -2.976 9.782 -2.581 1.00 0.00 N ATOM 867 CA LEU A 58 -4.038 8.887 -2.177 1.00 0.00 C ATOM 868 C LEU A 58 -4.645 9.338 -0.883 1.00 0.00 C ATOM 869 O LEU A 58 -3.968 9.929 -0.064 1.00 0.00 O ATOM 870 CB LEU A 58 -3.526 7.468 -2.093 1.00 0.00 C ATOM 871 CG LEU A 58 -2.660 7.071 -3.275 1.00 0.00 C ATOM 872 CD1 LEU A 58 -2.241 5.618 -3.142 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.410 7.355 -4.581 1.00 0.00 C ATOM 0 H LEU A 58 -2.165 9.795 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.825 8.910 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.951 7.350 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.374 6.786 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.747 7.666 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.620 5.339 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.674 5.486 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.128 4.984 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.786 7.069 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.336 6.780 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.642 8.418 -4.644 1.00 0.00 H new ATOM 885 N ASP A 59 -5.924 9.063 -0.694 1.00 0.00 N ATOM 886 CA ASP A 59 -6.579 9.503 0.515 1.00 0.00 C ATOM 887 C ASP A 59 -7.658 8.541 0.964 1.00 0.00 C ATOM 888 O ASP A 59 -8.271 7.829 0.169 1.00 0.00 O ATOM 889 CB ASP A 59 -7.154 10.883 0.271 1.00 0.00 C ATOM 890 CG ASP A 59 -7.434 11.639 1.556 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.553 11.503 2.092 1.00 0.00 O ATOM 892 OD2 ASP A 59 -6.533 12.367 2.025 1.00 0.00 O ATOM 0 H ASP A 59 -6.514 8.549 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.846 9.537 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.458 11.459 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.078 10.791 -0.300 1.00 0.00 H new ATOM 897 N GLY A 60 -7.859 8.547 2.273 1.00 0.00 N ATOM 898 CA GLY A 60 -8.789 7.646 2.940 1.00 0.00 C ATOM 899 C GLY A 60 -10.013 7.286 2.126 1.00 0.00 C ATOM 900 O GLY A 60 -10.526 6.172 2.234 1.00 0.00 O ATOM 0 H GLY A 60 -7.377 9.183 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.261 6.729 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.113 8.106 3.874 1.00 0.00 H new ATOM 904 N ASP A 61 -10.481 8.222 1.318 1.00 0.00 N ATOM 905 CA ASP A 61 -11.654 8.000 0.494 1.00 0.00 C ATOM 906 C ASP A 61 -11.337 7.051 -0.652 1.00 0.00 C ATOM 907 O ASP A 61 -12.042 6.072 -0.896 1.00 0.00 O ATOM 908 CB ASP A 61 -12.137 9.328 -0.085 1.00 0.00 C ATOM 909 CG ASP A 61 -13.494 9.214 -0.751 1.00 0.00 C ATOM 910 OD1 ASP A 61 -13.545 8.782 -1.923 1.00 0.00 O ATOM 911 OD2 ASP A 61 -14.505 9.555 -0.102 1.00 0.00 O ATOM 0 H ASP A 61 -10.063 9.147 1.216 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.430 7.558 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.188 10.070 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.409 9.690 -0.811 1.00 0.00 H new ATOM 916 N GLU A 62 -10.254 7.369 -1.342 1.00 0.00 N ATOM 917 CA GLU A 62 -9.807 6.627 -2.512 1.00 0.00 C ATOM 918 C GLU A 62 -9.050 5.345 -2.171 1.00 0.00 C ATOM 919 O GLU A 62 -9.053 4.389 -2.946 1.00 0.00 O ATOM 920 CB GLU A 62 -8.916 7.525 -3.345 1.00 0.00 C ATOM 921 CG GLU A 62 -9.643 8.713 -3.951 1.00 0.00 C ATOM 922 CD GLU A 62 -10.769 8.300 -4.879 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.475 7.881 -6.018 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.943 8.399 -4.466 1.00 0.00 O ATOM 0 H GLU A 62 -9.653 8.158 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.699 6.325 -3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.099 7.889 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.469 6.936 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.047 9.333 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.931 9.327 -4.502 1.00 0.00 H new ATOM 931 N LEU A 63 -8.403 5.330 -1.012 1.00 0.00 N ATOM 932 CA LEU A 63 -7.568 4.202 -0.610 1.00 0.00 C ATOM 933 C LEU A 63 -8.217 2.851 -0.869 1.00 0.00 C ATOM 934 O LEU A 63 -7.567 1.940 -1.382 1.00 0.00 O ATOM 935 CB LEU A 63 -7.199 4.337 0.865 1.00 0.00 C ATOM 936 CG LEU A 63 -6.291 5.525 1.176 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.749 5.453 2.595 1.00 0.00 C ATOM 938 CD2 LEU A 63 -5.163 5.631 0.153 1.00 0.00 C ATOM 0 H LEU A 63 -8.440 6.088 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.670 4.234 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.114 4.430 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.705 3.421 1.190 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.892 6.432 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.107 6.313 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.579 5.458 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.173 4.536 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.530 6.485 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.566 4.719 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.586 5.765 -0.843 1.00 0.00 H new ATOM 950 N LYS A 64 -9.485 2.709 -0.525 1.00 0.00 N ATOM 951 CA LYS A 64 -10.174 1.442 -0.734 1.00 0.00 C ATOM 952 C LYS A 64 -10.206 1.043 -2.206 1.00 0.00 C ATOM 953 O LYS A 64 -10.473 -0.114 -2.529 1.00 0.00 O ATOM 954 CB LYS A 64 -11.610 1.535 -0.197 1.00 0.00 C ATOM 955 CG LYS A 64 -12.244 2.918 -0.317 1.00 0.00 C ATOM 956 CD LYS A 64 -13.734 2.880 -0.025 1.00 0.00 C ATOM 957 CE LYS A 64 -14.553 3.036 -1.289 1.00 0.00 C ATOM 958 NZ LYS A 64 -16.016 2.958 -1.021 1.00 0.00 N ATOM 0 H LYS A 64 -10.055 3.443 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.620 0.675 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.231 0.817 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.612 1.239 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.755 3.604 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.080 3.308 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.987 1.937 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.989 3.676 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.321 3.993 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.273 2.259 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.513 3.663 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.362 2.007 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.195 3.150 -0.015 1.00 0.00 H new ATOM 972 N TYR A 65 -9.935 1.986 -3.100 1.00 0.00 N ATOM 973 CA TYR A 65 -9.923 1.680 -4.526 1.00 0.00 C ATOM 974 C TYR A 65 -8.638 0.951 -4.935 1.00 0.00 C ATOM 975 O TYR A 65 -8.573 0.366 -6.011 1.00 0.00 O ATOM 976 CB TYR A 65 -10.097 2.951 -5.363 1.00 0.00 C ATOM 977 CG TYR A 65 -11.387 3.700 -5.088 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.449 3.087 -4.430 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.544 5.021 -5.492 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.625 3.769 -4.183 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.718 5.708 -5.248 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.755 5.077 -4.594 1.00 0.00 C ATOM 983 OH TYR A 65 -14.925 5.760 -4.349 1.00 0.00 O ATOM 0 H TYR A 65 -9.723 2.956 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.766 1.016 -4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.255 3.617 -5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.061 2.685 -6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.352 2.061 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.735 5.519 -6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.439 3.278 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.823 6.734 -5.568 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.852 6.671 -4.702 1.00 0.00 H new ATOM 993 N PHE A 66 -7.618 0.976 -4.074 1.00 0.00 N ATOM 994 CA PHE A 66 -6.342 0.319 -4.381 1.00 0.00 C ATOM 995 C PHE A 66 -6.582 -1.101 -4.911 1.00 0.00 C ATOM 996 O PHE A 66 -6.106 -1.463 -5.987 1.00 0.00 O ATOM 997 CB PHE A 66 -5.426 0.325 -3.126 1.00 0.00 C ATOM 998 CG PHE A 66 -4.905 -1.021 -2.685 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.105 -1.782 -3.521 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.224 -1.517 -1.437 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.632 -3.016 -3.116 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.758 -2.749 -1.023 1.00 0.00 C ATOM 1003 CZ PHE A 66 -3.960 -3.501 -1.863 1.00 0.00 C ATOM 0 H PHE A 66 -7.648 1.439 -3.166 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.831 0.874 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.574 0.976 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.979 0.768 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.848 -1.407 -4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.847 -0.933 -0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.008 -3.600 -3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.017 -3.124 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.593 -4.465 -1.542 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.320 -1.891 -4.144 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.642 -3.252 -4.546 1.00 0.00 C ATOM 1015 C LEU A 67 -8.466 -3.211 -5.815 1.00 0.00 C ATOM 1016 O LEU A 67 -8.355 -4.077 -6.683 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.433 -3.960 -3.447 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.593 -4.715 -2.413 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.492 -5.439 -1.425 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.652 -5.694 -3.097 1.00 0.00 C ATOM 0 H LEU A 67 -7.706 -1.613 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.717 -3.801 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.040 -3.220 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.121 -4.664 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.991 -3.991 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.879 -5.970 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.123 -4.715 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.120 -6.152 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.064 -6.220 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.233 -6.415 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.984 -5.150 -3.764 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.298 -2.185 -5.908 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.142 -1.992 -7.066 1.00 0.00 C ATOM 1034 C GLN A 68 -9.282 -1.716 -8.297 1.00 0.00 C ATOM 1035 O GLN A 68 -9.603 -2.168 -9.397 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.145 -0.867 -6.814 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.304 -1.294 -5.926 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.546 -0.452 -6.144 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.460 0.718 -6.513 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.711 -1.047 -5.913 1.00 0.00 N ATOM 0 H GLN A 68 -9.403 -1.471 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.712 -2.902 -7.251 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.630 -0.025 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.536 -0.515 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.540 -2.340 -6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.001 -1.225 -4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.735 -2.020 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.581 -0.531 -6.041 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.188 -0.974 -8.112 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.270 -0.687 -9.206 1.00 0.00 C ATOM 1051 C LYS A 69 -6.680 -1.968 -9.763 1.00 0.00 C ATOM 1052 O LYS A 69 -6.814 -2.274 -10.949 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.113 0.176 -8.706 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.535 1.434 -7.974 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.691 2.138 -8.660 1.00 0.00 C ATOM 1056 CE LYS A 69 -7.373 2.450 -10.114 1.00 0.00 C ATOM 1057 NZ LYS A 69 -8.528 3.084 -10.810 1.00 0.00 N ATOM 0 H LYS A 69 -7.921 -0.564 -7.217 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.833 -0.167 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.490 -0.424 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.493 0.457 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.821 1.179 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.686 2.115 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.582 1.512 -8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.920 3.063 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.510 3.114 -10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.097 1.531 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.272 3.281 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.344 2.440 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.775 3.974 -10.332 1.00 0.00 H new ATOM 1071 N PHE A 70 -6.026 -2.712 -8.885 1.00 0.00 N ATOM 1072 CA PHE A 70 -5.385 -3.956 -9.258 1.00 0.00 C ATOM 1073 C PHE A 70 -6.436 -4.974 -9.696 1.00 0.00 C ATOM 1074 O PHE A 70 -6.215 -5.753 -10.624 1.00 0.00 O ATOM 1075 CB PHE A 70 -4.524 -4.438 -8.074 1.00 0.00 C ATOM 1076 CG PHE A 70 -4.674 -5.889 -7.693 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -4.173 -6.895 -8.502 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.321 -6.235 -6.519 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -4.315 -8.223 -8.144 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.467 -7.557 -6.155 1.00 0.00 C ATOM 1081 CZ PHE A 70 -4.963 -8.554 -6.969 1.00 0.00 C ATOM 0 H PHE A 70 -5.927 -2.469 -7.899 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.723 -3.817 -10.113 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.477 -4.252 -8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.765 -3.828 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.667 -6.640 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.717 -5.459 -5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.920 -9.000 -8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.974 -7.813 -5.236 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.075 -9.590 -6.687 1.00 0.00 H new ATOM 1091 N GLN A 71 -7.576 -4.959 -9.021 1.00 0.00 N ATOM 1092 CA GLN A 71 -8.671 -5.857 -9.347 1.00 0.00 C ATOM 1093 C GLN A 71 -9.999 -5.166 -9.066 1.00 0.00 C ATOM 1094 O GLN A 71 -10.334 -4.896 -7.916 1.00 0.00 O ATOM 1095 CB GLN A 71 -8.544 -7.135 -8.510 1.00 0.00 C ATOM 1096 CG GLN A 71 -9.782 -8.022 -8.512 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.172 -8.460 -7.114 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.899 -7.598 -6.411 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -9.809 -9.548 -6.664 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.766 -4.331 -8.240 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.632 -6.120 -10.404 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.698 -7.714 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.314 -6.858 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.613 -7.483 -8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.596 -8.902 -9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.252 -10.178 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.066 -9.819 -5.715 1.00 0.00 H new ATOM 1108 N SER A 72 -10.745 -4.889 -10.135 1.00 0.00 N ATOM 1109 CA SER A 72 -12.044 -4.206 -10.062 1.00 0.00 C ATOM 1110 C SER A 72 -13.093 -5.030 -9.315 1.00 0.00 C ATOM 1111 O SER A 72 -14.195 -5.240 -9.821 1.00 0.00 O ATOM 1112 CB SER A 72 -12.549 -3.896 -11.462 1.00 0.00 C ATOM 1113 OG SER A 72 -13.749 -3.142 -11.419 1.00 0.00 O ATOM 0 H SER A 72 -10.466 -5.133 -11.085 1.00 0.00 H new ATOM 0 HA SER A 72 -11.889 -3.282 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.788 -3.342 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.720 -4.826 -12.004 1.00 0.00 H new ATOM 0 HG SER A 72 -14.454 -3.673 -10.994 1.00 0.00 H new ATOM 1119 N ASP A 73 -12.758 -5.492 -8.127 1.00 0.00 N ATOM 1120 CA ASP A 73 -13.664 -6.299 -7.340 1.00 0.00 C ATOM 1121 C ASP A 73 -13.303 -6.225 -5.863 1.00 0.00 C ATOM 1122 O ASP A 73 -13.677 -7.100 -5.083 1.00 0.00 O ATOM 1123 CB ASP A 73 -13.625 -7.749 -7.816 1.00 0.00 C ATOM 1124 CG ASP A 73 -14.229 -7.925 -9.196 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -15.458 -8.127 -9.286 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -13.471 -7.862 -10.187 1.00 0.00 O ATOM 0 H ASP A 73 -11.856 -5.319 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.674 -5.909 -7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.592 -8.096 -7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.163 -8.376 -7.105 1.00 0.00 H new ATOM 1131 N ALA A 74 -12.577 -5.176 -5.476 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.182 -5.007 -4.089 1.00 0.00 C ATOM 1133 C ALA A 74 -13.406 -4.923 -3.190 1.00 0.00 C ATOM 1134 O ALA A 74 -14.492 -4.560 -3.640 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.359 -3.739 -3.931 1.00 0.00 C ATOM 0 H ALA A 74 -12.255 -4.439 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.584 -5.871 -3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.068 -3.622 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.465 -3.806 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.953 -2.879 -4.241 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.228 -5.258 -1.920 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.322 -5.171 -0.964 1.00 0.00 C ATOM 1143 C ARG A 75 -14.398 -3.759 -0.371 1.00 0.00 C ATOM 1144 O ARG A 75 -15.308 -3.454 0.398 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.188 -6.223 0.147 1.00 0.00 C ATOM 1146 CG ARG A 75 -12.756 -6.530 0.565 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.046 -5.299 1.105 1.00 0.00 C ATOM 1148 NE ARG A 75 -10.652 -5.578 1.436 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.275 -6.337 2.462 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -11.184 -6.887 3.254 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -8.987 -6.545 2.695 1.00 0.00 N ATOM 0 H ARG A 75 -12.345 -5.589 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.250 -5.378 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.742 -5.880 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.660 -7.147 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.760 -7.310 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.204 -6.921 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.091 -4.500 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.566 -4.940 1.993 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.926 -5.168 0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.176 -6.729 3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.891 -7.468 4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.284 -6.123 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.698 -7.127 3.482 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.418 -2.911 -0.735 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.343 -1.516 -0.287 1.00 0.00 C ATOM 1167 C GLU A 76 -12.556 -1.416 1.003 1.00 0.00 C ATOM 1168 O GLU A 76 -12.901 -0.661 1.911 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.725 -0.897 -0.117 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.597 -1.061 -1.347 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.027 -0.611 -1.119 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.287 0.608 -1.206 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.887 -1.477 -0.854 1.00 0.00 O ATOM 0 H GLU A 76 -12.653 -3.181 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.826 -0.952 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.221 -1.356 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.618 0.164 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.168 -0.489 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.595 -2.108 -1.651 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.471 -2.176 1.040 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.576 -2.256 2.198 1.00 0.00 C ATOM 1182 C LEU A 77 -11.296 -2.065 3.538 1.00 0.00 C ATOM 1183 O LEU A 77 -10.704 -1.576 4.496 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.485 -1.210 2.039 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.352 -1.617 1.114 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.285 -0.551 1.120 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.782 -2.962 1.515 1.00 0.00 C ATOM 0 H LEU A 77 -11.179 -2.764 0.259 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.156 -3.262 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.933 -0.291 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.071 -0.983 3.021 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.741 -1.717 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.473 -0.845 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.711 0.392 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.899 -0.428 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.972 -3.231 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.399 -2.906 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.565 -3.719 1.463 1.00 0.00 H new ATOM 1199 N THR A 78 -12.563 -2.466 3.600 1.00 0.00 N ATOM 1200 CA THR A 78 -13.374 -2.328 4.810 1.00 0.00 C ATOM 1201 C THR A 78 -13.116 -0.991 5.506 1.00 0.00 C ATOM 1202 O THR A 78 -12.421 -0.124 4.983 1.00 0.00 O ATOM 1203 CB THR A 78 -13.097 -3.463 5.813 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.878 -3.201 6.521 1.00 0.00 O ATOM 1205 CG2 THR A 78 -12.990 -4.800 5.101 1.00 0.00 C ATOM 0 H THR A 78 -13.057 -2.894 2.817 1.00 0.00 H new ATOM 0 HA THR A 78 -14.414 -2.377 4.488 1.00 0.00 H new ATOM 0 HB THR A 78 -13.929 -3.507 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.864 -3.722 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.794 -5.586 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.925 -5.012 4.582 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.174 -4.763 4.379 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.747 -0.788 6.644 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.509 0.420 7.410 1.00 0.00 C ATOM 1215 C GLU A 79 -12.081 0.408 7.953 1.00 0.00 C ATOM 1216 O GLU A 79 -11.331 1.376 7.820 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.509 0.531 8.562 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.957 0.615 8.105 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.926 0.756 9.263 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -17.129 1.896 9.732 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -17.482 -0.273 9.700 1.00 0.00 O ATOM 0 H GLU A 79 -14.420 -1.434 7.056 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.640 1.283 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.393 -0.332 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.272 1.415 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.073 1.465 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.207 -0.279 7.534 1.00 0.00 H new ATOM 1228 N SER A 80 -11.733 -0.721 8.565 1.00 0.00 N ATOM 1229 CA SER A 80 -10.427 -0.928 9.194 1.00 0.00 C ATOM 1230 C SER A 80 -9.241 -1.005 8.225 1.00 0.00 C ATOM 1231 O SER A 80 -8.228 -0.346 8.445 1.00 0.00 O ATOM 1232 CB SER A 80 -10.466 -2.198 10.037 1.00 0.00 C ATOM 1233 OG SER A 80 -9.328 -2.289 10.876 1.00 0.00 O ATOM 0 H SER A 80 -12.354 -1.527 8.640 1.00 0.00 H new ATOM 0 HA SER A 80 -10.255 -0.040 9.803 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.371 -2.207 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.511 -3.070 9.385 1.00 0.00 H new ATOM 0 HG SER A 80 -9.591 -2.657 11.745 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.347 -1.799 7.158 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.214 -1.971 6.243 1.00 0.00 C ATOM 1241 C GLU A 81 -7.712 -0.649 5.663 1.00 0.00 C ATOM 1242 O GLU A 81 -6.503 -0.420 5.627 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.552 -2.942 5.109 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.438 -3.932 4.809 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.111 -3.250 4.537 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.903 -2.785 3.399 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.278 -3.184 5.465 1.00 0.00 O ATOM 0 H GLU A 81 -10.186 -2.323 6.908 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.408 -2.392 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.456 -3.492 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.774 -2.372 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.326 -4.614 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.716 -4.536 3.945 1.00 0.00 H new ATOM 1254 N THR A 82 -8.607 0.223 5.206 1.00 0.00 N ATOM 1255 CA THR A 82 -8.165 1.491 4.653 1.00 0.00 C ATOM 1256 C THR A 82 -7.326 2.253 5.667 1.00 0.00 C ATOM 1257 O THR A 82 -6.520 3.105 5.296 1.00 0.00 O ATOM 1258 CB THR A 82 -9.333 2.371 4.197 1.00 0.00 C ATOM 1259 OG1 THR A 82 -10.303 2.499 5.245 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.983 1.794 2.952 1.00 0.00 C ATOM 0 H THR A 82 -9.617 0.077 5.208 1.00 0.00 H new ATOM 0 HA THR A 82 -7.563 1.254 3.776 1.00 0.00 H new ATOM 0 HB THR A 82 -8.942 3.360 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.042 3.065 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.810 2.433 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.248 1.740 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.358 0.794 3.168 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.516 1.949 6.951 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.728 2.591 7.996 1.00 0.00 C ATOM 1270 C LYS A 83 -5.261 2.340 7.692 1.00 0.00 C ATOM 1271 O LYS A 83 -4.405 3.195 7.890 1.00 0.00 O ATOM 1272 CB LYS A 83 -7.093 2.036 9.375 1.00 0.00 C ATOM 1273 CG LYS A 83 -6.396 2.746 10.525 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.913 2.268 11.873 1.00 0.00 C ATOM 1275 CE LYS A 83 -6.192 2.954 13.022 1.00 0.00 C ATOM 1276 NZ LYS A 83 -4.745 2.606 13.056 1.00 0.00 N ATOM 0 H LYS A 83 -8.200 1.271 7.287 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.934 3.661 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.172 2.112 9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.841 0.976 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.322 2.571 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.550 3.821 10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.983 2.465 11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.782 1.189 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.303 4.034 12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.657 2.667 13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.471 2.353 14.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.567 1.799 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.184 3.423 12.740 1.00 0.00 H new ATOM 1290 N SER A 84 -5.003 1.130 7.214 1.00 0.00 N ATOM 1291 CA SER A 84 -3.683 0.719 6.819 1.00 0.00 C ATOM 1292 C SER A 84 -3.112 1.707 5.810 1.00 0.00 C ATOM 1293 O SER A 84 -2.063 2.309 6.023 1.00 0.00 O ATOM 1294 CB SER A 84 -3.784 -0.662 6.193 1.00 0.00 C ATOM 1295 OG SER A 84 -4.446 -1.562 7.066 1.00 0.00 O ATOM 0 H SER A 84 -5.715 0.410 7.093 1.00 0.00 H new ATOM 0 HA SER A 84 -3.022 0.691 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.325 -0.600 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.786 -1.037 5.965 1.00 0.00 H new ATOM 0 HG SER A 84 -5.073 -2.114 6.553 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.852 1.905 4.734 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.452 2.818 3.689 1.00 0.00 C ATOM 1303 C LEU A 85 -3.326 4.236 4.247 1.00 0.00 C ATOM 1304 O LEU A 85 -2.462 5.011 3.837 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.495 2.741 2.578 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.447 1.459 1.739 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.267 1.613 0.468 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -3.014 1.075 1.407 1.00 0.00 C ATOM 0 H LEU A 85 -4.743 1.438 4.564 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.476 2.546 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.486 2.831 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.364 3.597 1.916 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.883 0.656 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.218 0.691 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.304 1.823 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.867 2.435 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.011 0.162 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.544 1.879 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.459 0.908 2.330 1.00 0.00 H new ATOM 1320 N MET A 86 -4.206 4.552 5.185 1.00 0.00 N ATOM 1321 CA MET A 86 -4.209 5.851 5.850 1.00 0.00 C ATOM 1322 C MET A 86 -2.959 6.036 6.715 1.00 0.00 C ATOM 1323 O MET A 86 -2.166 6.950 6.499 1.00 0.00 O ATOM 1324 CB MET A 86 -5.458 5.986 6.726 1.00 0.00 C ATOM 1325 CG MET A 86 -6.758 6.023 5.941 1.00 0.00 C ATOM 1326 SD MET A 86 -7.436 7.687 5.810 1.00 0.00 S ATOM 1327 CE MET A 86 -6.035 8.562 5.121 1.00 0.00 C ATOM 0 H MET A 86 -4.937 3.919 5.508 1.00 0.00 H new ATOM 0 HA MET A 86 -4.212 6.622 5.079 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.491 5.151 7.426 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.377 6.897 7.320 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.587 5.624 4.941 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.489 5.373 6.423 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.312 9.599 4.930 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.205 8.532 5.827 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.734 8.089 4.186 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.789 5.125 7.668 1.00 0.00 N ATOM 1338 CA ASP A 87 -1.684 5.156 8.625 1.00 0.00 C ATOM 1339 C ASP A 87 -0.313 5.087 7.957 1.00 0.00 C ATOM 1340 O ASP A 87 0.677 5.564 8.511 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.829 3.995 9.608 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.937 4.227 10.615 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -4.109 4.326 10.195 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.633 4.307 11.824 1.00 0.00 O ATOM 0 H ASP A 87 -3.421 4.335 7.800 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.739 6.113 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.030 3.077 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.886 3.849 10.136 1.00 0.00 H new ATOM 1349 N ALA A 88 -0.254 4.495 6.779 1.00 0.00 N ATOM 1350 CA ALA A 88 0.998 4.341 6.043 1.00 0.00 C ATOM 1351 C ALA A 88 1.728 5.643 5.713 1.00 0.00 C ATOM 1352 O ALA A 88 2.956 5.654 5.638 1.00 0.00 O ATOM 1353 CB ALA A 88 0.690 3.602 4.771 1.00 0.00 C ATOM 0 H ALA A 88 -1.067 4.106 6.302 1.00 0.00 H new ATOM 0 HA ALA A 88 1.681 3.797 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.606 3.470 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.268 2.626 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.028 4.174 4.183 1.00 0.00 H new ATOM 1359 N ALA A 89 1.007 6.735 5.512 1.00 0.00 N ATOM 1360 CA ALA A 89 1.640 7.983 5.161 1.00 0.00 C ATOM 1361 C ALA A 89 0.703 9.150 5.415 1.00 0.00 C ATOM 1362 O ALA A 89 -0.500 9.066 5.180 1.00 0.00 O ATOM 1363 CB ALA A 89 2.060 7.964 3.703 1.00 0.00 C ATOM 0 H ALA A 89 -0.009 6.776 5.587 1.00 0.00 H new ATOM 0 HA ALA A 89 2.525 8.107 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.537 8.911 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.763 7.148 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.182 7.819 3.073 1.00 0.00 H new ATOM 1369 N ASP A 90 1.282 10.222 5.916 1.00 0.00 N ATOM 1370 CA ASP A 90 0.580 11.466 6.221 1.00 0.00 C ATOM 1371 C ASP A 90 -0.883 11.240 6.591 1.00 0.00 C ATOM 1372 O ASP A 90 -1.784 11.523 5.804 1.00 0.00 O ATOM 1373 CB ASP A 90 0.672 12.389 5.026 1.00 0.00 C ATOM 1374 CG ASP A 90 0.909 13.833 5.419 1.00 0.00 C ATOM 1375 OD1 ASP A 90 0.334 14.273 6.438 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.672 14.524 4.712 1.00 0.00 O ATOM 0 H ASP A 90 2.279 10.260 6.130 1.00 0.00 H new ATOM 0 HA ASP A 90 1.060 11.914 7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.482 12.056 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.249 12.321 4.448 1.00 0.00 H new ATOM 1381 N ASN A 91 -1.106 10.722 7.784 1.00 0.00 N ATOM 1382 CA ASN A 91 -2.454 10.440 8.265 1.00 0.00 C ATOM 1383 C ASN A 91 -2.837 11.354 9.425 1.00 0.00 C ATOM 1384 O ASN A 91 -3.996 11.739 9.572 1.00 0.00 O ATOM 1385 CB ASN A 91 -2.566 8.980 8.714 1.00 0.00 C ATOM 1386 CG ASN A 91 -1.233 8.414 9.154 1.00 0.00 C ATOM 1387 OD1 ASN A 91 -0.838 8.551 10.312 1.00 0.00 O ATOM 1388 ND2 ASN A 91 -0.531 7.766 8.231 1.00 0.00 N ATOM 0 H ASN A 91 -0.367 10.485 8.446 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.140 10.624 7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.279 8.908 9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.962 8.379 7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.373 7.359 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -0.896 7.676 7.283 1.00 0.00 H new ATOM 1395 N ASP A 92 -1.849 11.695 10.247 1.00 0.00 N ATOM 1396 CA ASP A 92 -2.071 12.521 11.420 1.00 0.00 C ATOM 1397 C ASP A 92 -2.306 13.988 11.082 1.00 0.00 C ATOM 1398 O ASP A 92 -2.811 14.736 11.919 1.00 0.00 O ATOM 1399 CB ASP A 92 -0.880 12.395 12.365 1.00 0.00 C ATOM 1400 CG ASP A 92 -0.699 10.982 12.884 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -0.082 10.162 12.171 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -1.175 10.694 14.003 1.00 0.00 O ATOM 0 H ASP A 92 -0.879 11.407 10.117 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.980 12.158 11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.026 12.707 11.846 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.015 13.074 13.207 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.953 14.420 9.875 1.00 0.00 N ATOM 1408 CA GLY A 93 -2.167 15.812 9.535 1.00 0.00 C ATOM 1409 C GLY A 93 -2.280 16.071 8.043 1.00 0.00 C ATOM 1410 O GLY A 93 -1.787 17.085 7.549 1.00 0.00 O ATOM 0 H GLY A 93 -1.533 13.846 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.077 16.159 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.344 16.404 9.935 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.926 15.161 7.322 1.00 0.00 N ATOM 1415 CA ASP A 94 -3.107 15.321 5.882 1.00 0.00 C ATOM 1416 C ASP A 94 -3.995 14.220 5.317 1.00 0.00 C ATOM 1417 O ASP A 94 -4.823 14.459 4.440 1.00 0.00 O ATOM 1418 CB ASP A 94 -1.761 15.324 5.162 1.00 0.00 C ATOM 1419 CG ASP A 94 -1.839 16.006 3.811 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -2.596 15.522 2.944 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -1.146 17.027 3.621 1.00 0.00 O ATOM 0 H ASP A 94 -3.332 14.308 7.708 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.596 16.281 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.020 15.830 5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.418 14.298 5.030 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.810 13.009 5.833 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.599 11.877 5.390 1.00 0.00 C ATOM 1428 C GLY A 95 -4.341 11.482 3.950 1.00 0.00 C ATOM 1429 O GLY A 95 -5.180 10.825 3.333 1.00 0.00 O ATOM 0 H GLY A 95 -3.123 12.792 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.389 11.024 6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.656 12.113 5.509 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.190 11.865 3.401 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.877 11.515 2.028 1.00 0.00 C ATOM 1435 C LYS A 96 -1.671 10.582 1.952 1.00 0.00 C ATOM 1436 O LYS A 96 -0.789 10.619 2.810 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.644 12.791 1.175 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.400 12.785 0.278 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.073 12.935 1.036 1.00 0.00 C ATOM 1440 CE LYS A 96 -0.146 14.011 2.107 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.419 15.352 1.519 1.00 0.00 N ATOM 0 H LYS A 96 -2.473 12.409 3.881 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.734 10.980 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.520 12.948 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.578 13.646 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.379 11.853 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.485 13.595 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.191 11.983 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.721 13.179 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.929 13.760 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.793 14.040 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.045 16.084 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.049 15.387 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.445 15.522 1.505 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.651 9.742 0.921 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.522 8.862 0.688 1.00 0.00 C ATOM 1457 C ILE A 97 0.074 9.150 -0.677 1.00 0.00 C ATOM 1458 O ILE A 97 -0.484 8.759 -1.697 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.888 7.366 0.705 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.827 7.040 1.857 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.376 6.528 0.800 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -1.298 7.461 3.206 1.00 0.00 C ATOM 0 H ILE A 97 -2.404 9.656 0.238 1.00 0.00 H new ATOM 0 HA ILE A 97 0.175 9.057 1.503 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.408 7.130 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.785 7.529 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.015 5.966 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.112 5.471 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.014 6.733 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.911 6.778 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.020 7.197 3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.354 6.952 3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.137 8.539 3.213 1.00 0.00 H new ATOM 1474 N GLY A 98 1.161 9.889 -0.698 1.00 0.00 N ATOM 1475 CA GLY A 98 1.844 10.160 -1.941 1.00 0.00 C ATOM 1476 C GLY A 98 3.134 9.376 -2.049 1.00 0.00 C ATOM 1477 O GLY A 98 3.592 8.786 -1.076 1.00 0.00 O ATOM 0 H GLY A 98 1.588 10.310 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.193 9.907 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.058 11.226 -2.014 1.00 0.00 H new ATOM 1481 N ALA A 99 3.714 9.363 -3.237 1.00 0.00 N ATOM 1482 CA ALA A 99 4.964 8.649 -3.450 1.00 0.00 C ATOM 1483 C ALA A 99 5.992 9.130 -2.431 1.00 0.00 C ATOM 1484 O ALA A 99 6.701 8.335 -1.819 1.00 0.00 O ATOM 1485 CB ALA A 99 5.462 8.859 -4.870 1.00 0.00 C ATOM 0 H ALA A 99 3.345 9.834 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 99 4.802 7.580 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.398 8.318 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.718 8.488 -5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.628 9.922 -5.044 1.00 0.00 H new ATOM 1491 N ASP A 100 6.049 10.449 -2.253 1.00 0.00 N ATOM 1492 CA ASP A 100 6.959 11.055 -1.289 1.00 0.00 C ATOM 1493 C ASP A 100 6.632 10.567 0.120 1.00 0.00 C ATOM 1494 O ASP A 100 7.508 10.083 0.834 1.00 0.00 O ATOM 1495 CB ASP A 100 6.868 12.580 -1.353 1.00 0.00 C ATOM 1496 CG ASP A 100 7.241 13.122 -2.719 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.451 13.197 -3.018 1.00 0.00 O ATOM 1498 OD2 ASP A 100 6.323 13.470 -3.491 1.00 0.00 O ATOM 0 H ASP A 100 5.474 11.117 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 100 7.978 10.758 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.853 12.892 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.527 13.013 -0.600 1.00 0.00 H new ATOM 1503 N GLU A 101 5.363 10.686 0.508 1.00 0.00 N ATOM 1504 CA GLU A 101 4.919 10.241 1.826 1.00 0.00 C ATOM 1505 C GLU A 101 5.222 8.758 1.975 1.00 0.00 C ATOM 1506 O GLU A 101 5.847 8.331 2.945 1.00 0.00 O ATOM 1507 CB GLU A 101 3.414 10.518 1.994 1.00 0.00 C ATOM 1508 CG GLU A 101 3.035 11.999 2.013 1.00 0.00 C ATOM 1509 CD GLU A 101 4.112 12.941 1.495 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.975 13.356 2.297 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.092 13.259 0.287 1.00 0.00 O ATOM 0 H GLU A 101 4.626 11.087 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 101 5.450 10.790 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.876 10.030 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.075 10.058 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.134 12.136 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.786 12.282 3.036 1.00 0.00 H new ATOM 1518 N PHE A 102 4.769 7.975 1.005 1.00 0.00 N ATOM 1519 CA PHE A 102 5.034 6.547 0.998 1.00 0.00 C ATOM 1520 C PHE A 102 6.537 6.295 1.116 1.00 0.00 C ATOM 1521 O PHE A 102 6.973 5.438 1.886 1.00 0.00 O ATOM 1522 CB PHE A 102 4.476 5.891 -0.270 1.00 0.00 C ATOM 1523 CG PHE A 102 4.602 4.394 -0.237 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.847 3.783 -0.268 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.473 3.597 -0.142 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.960 2.408 -0.208 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.581 2.221 -0.085 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.826 1.626 -0.117 1.00 0.00 C ATOM 0 H PHE A 102 4.217 8.307 0.214 1.00 0.00 H new ATOM 0 HA PHE A 102 4.532 6.098 1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.427 6.163 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.004 6.279 -1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.738 4.389 -0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.496 4.057 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.935 1.945 -0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.692 1.611 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.913 0.550 -0.071 1.00 0.00 H new ATOM 1538 N GLN A 103 7.325 7.048 0.347 1.00 0.00 N ATOM 1539 CA GLN A 103 8.782 6.920 0.381 1.00 0.00 C ATOM 1540 C GLN A 103 9.299 7.107 1.805 1.00 0.00 C ATOM 1541 O GLN A 103 10.279 6.482 2.210 1.00 0.00 O ATOM 1542 CB GLN A 103 9.437 7.942 -0.548 1.00 0.00 C ATOM 1543 CG GLN A 103 9.260 7.627 -2.015 1.00 0.00 C ATOM 1544 CD GLN A 103 10.475 6.961 -2.627 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.180 6.200 -1.965 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.732 7.259 -3.895 1.00 0.00 N ATOM 0 H GLN A 103 6.979 7.751 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 103 9.043 5.919 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.018 8.927 -0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.502 7.995 -0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.394 6.976 -2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.046 8.549 -2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.118 7.896 -4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.543 6.851 -4.360 1.00 0.00 H new ATOM 1555 N GLU A 104 8.631 7.978 2.560 1.00 0.00 N ATOM 1556 CA GLU A 104 9.023 8.248 3.941 1.00 0.00 C ATOM 1557 C GLU A 104 8.830 7.009 4.809 1.00 0.00 C ATOM 1558 O GLU A 104 9.677 6.682 5.639 1.00 0.00 O ATOM 1559 CB GLU A 104 8.224 9.422 4.517 1.00 0.00 C ATOM 1560 CG GLU A 104 8.499 10.747 3.826 1.00 0.00 C ATOM 1561 CD GLU A 104 9.938 11.200 3.980 1.00 0.00 C ATOM 1562 OE1 GLU A 104 10.774 10.818 3.135 1.00 0.00 O ATOM 1563 OE2 GLU A 104 10.227 11.940 4.945 1.00 0.00 O ATOM 0 H GLU A 104 7.819 8.506 2.240 1.00 0.00 H new ATOM 0 HA GLU A 104 10.080 8.515 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.160 9.197 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.455 9.521 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.263 10.655 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.837 11.510 4.235 1.00 0.00 H new ATOM 1570 N MET A 105 7.707 6.324 4.611 1.00 0.00 N ATOM 1571 CA MET A 105 7.401 5.122 5.375 1.00 0.00 C ATOM 1572 C MET A 105 8.484 4.056 5.178 1.00 0.00 C ATOM 1573 O MET A 105 9.006 3.507 6.148 1.00 0.00 O ATOM 1574 CB MET A 105 6.033 4.589 4.988 1.00 0.00 C ATOM 1575 CG MET A 105 5.167 4.275 6.192 1.00 0.00 C ATOM 1576 SD MET A 105 6.016 3.281 7.436 1.00 0.00 S ATOM 1577 CE MET A 105 4.774 3.234 8.726 1.00 0.00 C ATOM 0 H MET A 105 6.995 6.582 3.928 1.00 0.00 H new ATOM 0 HA MET A 105 7.383 5.380 6.434 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.525 5.323 4.362 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.155 3.687 4.388 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.835 5.208 6.646 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.273 3.746 5.861 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.194 3.630 9.650 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.917 3.839 8.429 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.453 2.204 8.885 1.00 0.00 H new ATOM 1587 N VAL A 106 8.816 3.770 3.918 1.00 0.00 N ATOM 1588 CA VAL A 106 9.857 2.792 3.595 1.00 0.00 C ATOM 1589 C VAL A 106 11.203 3.232 4.171 1.00 0.00 C ATOM 1590 O VAL A 106 11.986 2.408 4.643 1.00 0.00 O ATOM 1591 CB VAL A 106 9.995 2.583 2.064 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.065 3.915 1.343 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.219 1.730 1.730 1.00 0.00 C ATOM 0 H VAL A 106 8.379 4.202 3.104 1.00 0.00 H new ATOM 0 HA VAL A 106 9.559 1.845 4.044 1.00 0.00 H new ATOM 0 HB VAL A 106 9.108 2.050 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.162 3.744 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.156 4.483 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.928 4.477 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.289 1.601 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.118 2.226 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.123 0.754 2.206 1.00 0.00 H new ATOM 1603 N HIS A 107 11.461 4.534 4.126 1.00 0.00 N ATOM 1604 CA HIS A 107 12.710 5.084 4.640 1.00 0.00 C ATOM 1605 C HIS A 107 12.680 5.187 6.160 1.00 0.00 C ATOM 1606 O HIS A 107 13.724 5.178 6.813 1.00 0.00 O ATOM 1607 CB HIS A 107 12.970 6.462 4.031 1.00 0.00 C ATOM 1608 CG HIS A 107 14.250 7.090 4.491 1.00 0.00 C ATOM 1609 ND1 HIS A 107 14.314 8.352 5.042 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.522 6.623 4.477 1.00 0.00 C ATOM 1611 CE1 HIS A 107 15.568 8.636 5.346 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.320 7.603 5.014 1.00 0.00 N ATOM 0 H HIS A 107 10.822 5.228 3.739 1.00 0.00 H new ATOM 0 HA HIS A 107 13.517 4.408 4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.989 6.372 2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.140 7.123 4.282 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.847 5.660 4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.918 9.556 5.790 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.331 7.543 5.137 1.00 0.00 H new ATOM 1621 N SER A 108 11.480 5.280 6.719 1.00 0.00 N ATOM 1622 CA SER A 108 11.318 5.388 8.163 1.00 0.00 C ATOM 1623 C SER A 108 11.990 4.218 8.876 1.00 0.00 C ATOM 1624 O SER A 108 11.319 3.184 9.077 1.00 0.00 O ATOM 1625 CB SER A 108 9.835 5.441 8.529 1.00 0.00 C ATOM 1626 OG SER A 108 9.657 5.455 9.935 1.00 0.00 O ATOM 1627 OXT SER A 108 13.182 4.346 9.228 1.00 0.00 O ATOM 0 H SER A 108 10.605 5.283 6.195 1.00 0.00 H new ATOM 0 HA SER A 108 11.798 6.311 8.489 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.381 6.331 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.321 4.580 8.103 1.00 0.00 H new ATOM 0 HG SER A 108 8.700 5.491 10.143 1.00 0.00 H new