USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 172:sc= -0.214 (180deg=-0.214) USER MOD Single : A 2 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.99) USER MOD Single : A 12 SER OG : rot 88:sc= 1.21 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.08) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.21) USER MOD Single : A 31 CYS SG : rot -170:sc= -0.812 USER MOD Single : A 33 THR OG1 : rot -77:sc= 1.45 USER MOD Single : A 34 THR OG1 : rot -35:sc= 0.551 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.176 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -0.0375 (180deg=-0.345) USER MOD Single : A 43 SER OG : rot 76:sc= 0.713 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.122) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.5) USER MOD Single : A 59 HIS : no HD1:sc= -0.0921 X(o=-0.092,f=-0.005) USER MOD Single : A 62 ASN : amide:sc= -2.3! C(o=-2.3!,f=-1.6!) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 1.13 (180deg=0.868) USER MOD Single : A 65 MET CE :methyl 156:sc= -1.03 (180deg=-2.06!) USER MOD Single : A 67 MET CE :methyl 143:sc= -0.29 (180deg=-1.26) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= -0.0697 (180deg=-0.408) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00413) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 91 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.37) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0476 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= -0.0112 (180deg=-0.227) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 26:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.432 -3.264 19.672 1.00 0.00 N ATOM 2 CA ALA A 1 9.387 -2.138 19.569 1.00 0.00 C ATOM 3 C ALA A 1 10.402 -2.379 18.454 1.00 0.00 C ATOM 4 O ALA A 1 11.325 -1.584 18.262 1.00 0.00 O ATOM 5 CB ALA A 1 10.108 -1.930 20.894 1.00 0.00 C ATOM 0 H1 ALA A 1 7.841 -3.141 20.519 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.826 -3.284 18.827 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.957 -4.159 19.743 1.00 0.00 H new ATOM 0 HA ALA A 1 8.820 -1.239 19.328 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.807 -1.098 20.801 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.380 -1.707 21.674 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.655 -2.836 21.157 1.00 0.00 H new ATOM 11 N GLN A 2 10.229 -3.472 17.721 1.00 0.00 N ATOM 12 CA GLN A 2 11.126 -3.801 16.624 1.00 0.00 C ATOM 13 C GLN A 2 10.515 -3.364 15.298 1.00 0.00 C ATOM 14 O GLN A 2 9.573 -3.980 14.799 1.00 0.00 O ATOM 15 CB GLN A 2 11.435 -5.305 16.616 1.00 0.00 C ATOM 16 CG GLN A 2 12.386 -5.743 15.507 1.00 0.00 C ATOM 17 CD GLN A 2 13.703 -4.989 15.528 1.00 0.00 C ATOM 18 OE1 GLN A 2 14.162 -4.529 16.573 1.00 0.00 O ATOM 19 NE2 GLN A 2 14.329 -4.870 14.371 1.00 0.00 N ATOM 0 H GLN A 2 9.476 -4.144 17.867 1.00 0.00 H new ATOM 0 HA GLN A 2 12.065 -3.264 16.763 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.866 -5.581 17.578 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.500 -5.856 16.516 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.583 -6.811 15.604 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.903 -5.594 14.541 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.917 -5.265 13.525 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.224 -4.384 14.323 1.00 0.00 H new ATOM 28 N ALA A 3 11.047 -2.285 14.747 1.00 0.00 N ATOM 29 CA ALA A 3 10.554 -1.737 13.496 1.00 0.00 C ATOM 30 C ALA A 3 11.719 -1.335 12.608 1.00 0.00 C ATOM 31 O ALA A 3 12.750 -0.876 13.105 1.00 0.00 O ATOM 32 CB ALA A 3 9.651 -0.543 13.764 1.00 0.00 C ATOM 0 H ALA A 3 11.828 -1.768 15.152 1.00 0.00 H new ATOM 0 HA ALA A 3 9.971 -2.501 12.981 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.288 -0.142 12.818 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.804 -0.857 14.374 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.213 0.227 14.293 1.00 0.00 H new ATOM 38 N ASP A 4 11.563 -1.512 11.306 1.00 0.00 N ATOM 39 CA ASP A 4 12.634 -1.212 10.362 1.00 0.00 C ATOM 40 C ASP A 4 12.281 -0.004 9.516 1.00 0.00 C ATOM 41 O ASP A 4 13.071 0.930 9.387 1.00 0.00 O ATOM 42 CB ASP A 4 12.901 -2.396 9.430 1.00 0.00 C ATOM 43 CG ASP A 4 13.181 -3.684 10.166 1.00 0.00 C ATOM 44 OD1 ASP A 4 14.258 -3.806 10.787 1.00 0.00 O ATOM 45 OD2 ASP A 4 12.325 -4.590 10.117 1.00 0.00 O ATOM 0 H ASP A 4 10.707 -1.862 10.876 1.00 0.00 H new ATOM 0 HA ASP A 4 13.529 -1.006 10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.039 -2.538 8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.750 -2.160 8.788 1.00 0.00 H new ATOM 50 N GLY A 5 11.086 -0.030 8.948 1.00 0.00 N ATOM 51 CA GLY A 5 10.687 0.992 8.010 1.00 0.00 C ATOM 52 C GLY A 5 9.280 1.485 8.243 1.00 0.00 C ATOM 53 O GLY A 5 8.926 1.902 9.346 1.00 0.00 O ATOM 0 H GLY A 5 10.382 -0.747 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.378 1.832 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.766 0.599 6.996 1.00 0.00 H new ATOM 57 N ILE A 6 8.489 1.433 7.186 1.00 0.00 N ATOM 58 CA ILE A 6 7.107 1.902 7.207 1.00 0.00 C ATOM 59 C ILE A 6 6.278 1.134 8.241 1.00 0.00 C ATOM 60 O ILE A 6 6.414 -0.082 8.378 1.00 0.00 O ATOM 61 CB ILE A 6 6.454 1.743 5.817 1.00 0.00 C ATOM 62 CG1 ILE A 6 7.377 2.294 4.728 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.112 2.457 5.779 1.00 0.00 C ATOM 64 CD1 ILE A 6 6.861 2.074 3.322 1.00 0.00 C ATOM 0 H ILE A 6 8.785 1.063 6.283 1.00 0.00 H new ATOM 0 HA ILE A 6 7.127 2.957 7.480 1.00 0.00 H new ATOM 0 HB ILE A 6 6.291 0.682 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.518 3.363 4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.356 1.825 4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.663 2.336 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.451 2.030 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.258 3.518 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.568 2.491 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.747 1.005 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.895 2.567 3.208 1.00 0.00 H new ATOM 76 N ALA A 7 5.427 1.852 8.966 1.00 0.00 N ATOM 77 CA ALA A 7 4.584 1.242 9.985 1.00 0.00 C ATOM 78 C ALA A 7 3.155 1.076 9.486 1.00 0.00 C ATOM 79 O ALA A 7 2.389 2.038 9.437 1.00 0.00 O ATOM 80 CB ALA A 7 4.597 2.080 11.255 1.00 0.00 C ATOM 0 H ALA A 7 5.303 2.860 8.866 1.00 0.00 H new ATOM 0 HA ALA A 7 4.987 0.254 10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.962 1.611 12.007 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.617 2.151 11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.221 3.079 11.035 1.00 0.00 H new ATOM 86 N PHE A 8 2.806 -0.142 9.112 1.00 0.00 N ATOM 87 CA PHE A 8 1.463 -0.445 8.656 1.00 0.00 C ATOM 88 C PHE A 8 0.595 -0.869 9.831 1.00 0.00 C ATOM 89 O PHE A 8 0.996 -1.709 10.639 1.00 0.00 O ATOM 90 CB PHE A 8 1.501 -1.548 7.601 1.00 0.00 C ATOM 91 CG PHE A 8 2.056 -1.099 6.282 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.225 -0.539 5.327 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.405 -1.230 5.999 1.00 0.00 C ATOM 94 CE1 PHE A 8 1.728 -0.122 4.112 1.00 0.00 C ATOM 95 CE2 PHE A 8 3.912 -0.815 4.783 1.00 0.00 C ATOM 96 CZ PHE A 8 3.074 -0.258 3.839 1.00 0.00 C ATOM 0 H PHE A 8 3.439 -0.942 9.116 1.00 0.00 H new ATOM 0 HA PHE A 8 1.033 0.451 8.208 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.102 -2.377 7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.491 -1.929 7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.171 -0.427 5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.067 -1.661 6.736 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.068 0.311 3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.965 -0.927 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.470 0.071 2.889 1.00 0.00 H new ATOM 106 N ARG A 9 -0.583 -0.280 9.933 1.00 0.00 N ATOM 107 CA ARG A 9 -1.481 -0.569 11.039 1.00 0.00 C ATOM 108 C ARG A 9 -2.680 -1.381 10.562 1.00 0.00 C ATOM 109 O ARG A 9 -3.187 -1.172 9.456 1.00 0.00 O ATOM 110 CB ARG A 9 -1.934 0.735 11.702 1.00 0.00 C ATOM 111 CG ARG A 9 -2.781 1.628 10.809 1.00 0.00 C ATOM 112 CD ARG A 9 -2.855 3.043 11.353 1.00 0.00 C ATOM 113 NE ARG A 9 -1.589 3.757 11.186 1.00 0.00 N ATOM 114 CZ ARG A 9 -1.099 4.630 12.064 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.718 4.843 13.221 1.00 0.00 N ATOM 116 NH2 ARG A 9 0.029 5.273 11.796 1.00 0.00 N ATOM 0 H ARG A 9 -0.941 0.402 9.264 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.946 -1.166 11.778 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.503 0.494 12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.053 1.291 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.360 1.644 9.804 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.786 1.215 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.649 3.587 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.118 3.012 12.410 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.046 3.574 10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.575 4.336 13.442 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.336 5.513 13.888 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.519 5.099 10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.406 5.942 12.467 1.00 0.00 H new ATOM 130 N GLU A 10 -3.116 -2.319 11.388 1.00 0.00 N ATOM 131 CA GLU A 10 -4.253 -3.160 11.054 1.00 0.00 C ATOM 132 C GLU A 10 -5.542 -2.572 11.611 1.00 0.00 C ATOM 133 O GLU A 10 -5.884 -2.787 12.773 1.00 0.00 O ATOM 134 CB GLU A 10 -4.058 -4.576 11.596 1.00 0.00 C ATOM 135 CG GLU A 10 -2.818 -5.278 11.073 1.00 0.00 C ATOM 136 CD GLU A 10 -2.675 -6.671 11.649 1.00 0.00 C ATOM 137 OE1 GLU A 10 -2.436 -6.788 12.870 1.00 0.00 O ATOM 138 OE2 GLU A 10 -2.829 -7.653 10.893 1.00 0.00 O ATOM 0 H GLU A 10 -2.698 -2.517 12.297 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.325 -3.204 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.005 -4.532 12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.934 -5.173 11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.865 -5.337 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.935 -4.689 11.322 1.00 0.00 H new ATOM 145 N LEU A 11 -6.230 -1.805 10.782 1.00 0.00 N ATOM 146 CA LEU A 11 -7.527 -1.250 11.131 1.00 0.00 C ATOM 147 C LEU A 11 -8.560 -1.693 10.111 1.00 0.00 C ATOM 148 O LEU A 11 -8.205 -2.225 9.056 1.00 0.00 O ATOM 149 CB LEU A 11 -7.472 0.283 11.177 1.00 0.00 C ATOM 150 CG LEU A 11 -7.091 0.906 12.525 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.655 0.582 12.901 1.00 0.00 C ATOM 152 CD2 LEU A 11 -7.298 2.410 12.480 1.00 0.00 C ATOM 0 H LEU A 11 -5.906 -1.550 9.849 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.805 -1.615 12.120 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.757 0.623 10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.448 0.670 10.884 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.739 0.478 13.290 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.418 1.039 13.862 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.533 -0.499 12.973 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.982 0.973 12.138 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.025 2.844 13.442 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.673 2.840 11.697 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.345 2.627 12.268 1.00 0.00 H new ATOM 164 N SER A 12 -9.827 -1.489 10.424 1.00 0.00 N ATOM 165 CA SER A 12 -10.895 -1.788 9.485 1.00 0.00 C ATOM 166 C SER A 12 -10.924 -0.735 8.379 1.00 0.00 C ATOM 167 O SER A 12 -10.366 0.354 8.537 1.00 0.00 O ATOM 168 CB SER A 12 -12.238 -1.823 10.213 1.00 0.00 C ATOM 169 OG SER A 12 -12.159 -2.614 11.388 1.00 0.00 O ATOM 0 H SER A 12 -10.142 -1.118 11.320 1.00 0.00 H new ATOM 0 HA SER A 12 -10.712 -2.765 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.541 -0.809 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.004 -2.225 9.550 1.00 0.00 H new ATOM 0 HG SER A 12 -11.868 -2.056 12.139 1.00 0.00 H new ATOM 175 N PHE A 13 -11.575 -1.053 7.267 1.00 0.00 N ATOM 176 CA PHE A 13 -11.641 -0.131 6.139 1.00 0.00 C ATOM 177 C PHE A 13 -12.366 1.169 6.527 1.00 0.00 C ATOM 178 O PHE A 13 -11.833 2.253 6.292 1.00 0.00 O ATOM 179 CB PHE A 13 -12.303 -0.793 4.924 1.00 0.00 C ATOM 180 CG PHE A 13 -12.207 0.025 3.666 1.00 0.00 C ATOM 181 CD1 PHE A 13 -10.970 0.346 3.126 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.350 0.462 3.018 1.00 0.00 C ATOM 183 CE1 PHE A 13 -10.876 1.089 1.965 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.262 1.207 1.857 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.024 1.520 1.328 1.00 0.00 C ATOM 0 H PHE A 13 -12.062 -1.937 7.122 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.620 0.129 5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.839 -1.764 4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.354 -0.977 5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.070 0.011 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.321 0.218 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.907 1.333 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.161 1.545 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 13 -11.954 2.100 0.419 1.00 0.00 H new ATOM 195 N PRO A 14 -13.579 1.094 7.135 1.00 0.00 N ATOM 196 CA PRO A 14 -14.271 2.286 7.643 1.00 0.00 C ATOM 197 C PRO A 14 -13.408 3.082 8.622 1.00 0.00 C ATOM 198 O PRO A 14 -13.361 4.313 8.560 1.00 0.00 O ATOM 199 CB PRO A 14 -15.517 1.729 8.349 1.00 0.00 C ATOM 200 CG PRO A 14 -15.286 0.262 8.481 1.00 0.00 C ATOM 201 CD PRO A 14 -14.384 -0.123 7.348 1.00 0.00 C ATOM 0 HA PRO A 14 -14.511 2.982 6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.653 2.193 9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.418 1.933 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.828 0.025 9.441 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.227 -0.286 8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.760 -0.980 7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.949 -0.394 6.456 1.00 0.00 H new ATOM 209 N GLU A 15 -12.717 2.369 9.512 1.00 0.00 N ATOM 210 CA GLU A 15 -11.809 2.993 10.469 1.00 0.00 C ATOM 211 C GLU A 15 -10.737 3.799 9.752 1.00 0.00 C ATOM 212 O GLU A 15 -10.544 4.984 10.023 1.00 0.00 O ATOM 213 CB GLU A 15 -11.120 1.937 11.331 1.00 0.00 C ATOM 214 CG GLU A 15 -12.033 1.221 12.308 1.00 0.00 C ATOM 215 CD GLU A 15 -11.262 0.314 13.248 1.00 0.00 C ATOM 216 OE1 GLU A 15 -10.915 -0.815 12.847 1.00 0.00 O ATOM 217 OE2 GLU A 15 -10.984 0.735 14.391 1.00 0.00 O ATOM 0 H GLU A 15 -12.771 1.353 9.588 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.406 3.652 11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.660 1.197 10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.314 2.413 11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.589 1.956 12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.765 0.632 11.755 1.00 0.00 H new ATOM 224 N ALA A 16 -10.045 3.141 8.834 1.00 0.00 N ATOM 225 CA ALA A 16 -8.954 3.760 8.104 1.00 0.00 C ATOM 226 C ALA A 16 -9.452 4.923 7.255 1.00 0.00 C ATOM 227 O ALA A 16 -8.743 5.907 7.066 1.00 0.00 O ATOM 228 CB ALA A 16 -8.244 2.733 7.237 1.00 0.00 C ATOM 0 H ALA A 16 -10.224 2.170 8.577 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.243 4.154 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.429 3.214 6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.843 1.940 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.951 2.308 6.524 1.00 0.00 H new ATOM 234 N LEU A 17 -10.675 4.800 6.753 1.00 0.00 N ATOM 235 CA LEU A 17 -11.294 5.864 5.972 1.00 0.00 C ATOM 236 C LEU A 17 -11.497 7.096 6.846 1.00 0.00 C ATOM 237 O LEU A 17 -11.177 8.218 6.452 1.00 0.00 O ATOM 238 CB LEU A 17 -12.638 5.392 5.418 1.00 0.00 C ATOM 239 CG LEU A 17 -13.216 6.251 4.294 1.00 0.00 C ATOM 240 CD1 LEU A 17 -12.281 6.253 3.096 1.00 0.00 C ATOM 241 CD2 LEU A 17 -14.592 5.746 3.889 1.00 0.00 C ATOM 0 H LEU A 17 -11.259 3.972 6.873 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.639 6.121 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.524 4.372 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.358 5.359 6.235 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.317 7.273 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.706 6.869 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.313 6.658 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.152 5.233 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.987 6.370 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.514 4.716 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -15.263 5.790 4.747 1.00 0.00 H new ATOM 253 N LYS A 18 -12.029 6.869 8.039 1.00 0.00 N ATOM 254 CA LYS A 18 -12.211 7.918 9.021 1.00 0.00 C ATOM 255 C LYS A 18 -10.865 8.535 9.418 1.00 0.00 C ATOM 256 O LYS A 18 -10.747 9.754 9.563 1.00 0.00 O ATOM 257 CB LYS A 18 -12.924 7.343 10.245 1.00 0.00 C ATOM 258 CG LYS A 18 -13.198 8.367 11.323 1.00 0.00 C ATOM 259 CD LYS A 18 -13.986 9.547 10.783 1.00 0.00 C ATOM 260 CE LYS A 18 -15.372 9.141 10.301 1.00 0.00 C ATOM 261 NZ LYS A 18 -16.176 10.319 9.883 1.00 0.00 N ATOM 0 H LYS A 18 -12.345 5.950 8.349 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.821 8.710 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.868 6.898 9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.318 6.540 10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.752 7.900 12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.254 8.719 11.740 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.081 10.305 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.436 10.003 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.278 8.449 9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.893 8.609 11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.050 9.996 9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.416 10.890 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.625 10.897 9.216 1.00 0.00 H new ATOM 275 N ARG A 19 -9.856 7.689 9.590 1.00 0.00 N ATOM 276 CA ARG A 19 -8.504 8.153 9.876 1.00 0.00 C ATOM 277 C ARG A 19 -7.983 9.037 8.745 1.00 0.00 C ATOM 278 O ARG A 19 -7.460 10.123 8.985 1.00 0.00 O ATOM 279 CB ARG A 19 -7.561 6.967 10.083 1.00 0.00 C ATOM 280 CG ARG A 19 -7.820 6.188 11.362 1.00 0.00 C ATOM 281 CD ARG A 19 -7.763 7.089 12.587 1.00 0.00 C ATOM 282 NE ARG A 19 -6.511 7.840 12.668 1.00 0.00 N ATOM 283 CZ ARG A 19 -5.469 7.494 13.422 1.00 0.00 C ATOM 284 NH1 ARG A 19 -5.518 6.404 14.181 1.00 0.00 N ATOM 285 NH2 ARG A 19 -4.379 8.253 13.424 1.00 0.00 N ATOM 0 H ARG A 19 -9.949 6.675 9.536 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.539 8.742 10.793 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.652 6.291 9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.533 7.330 10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.798 5.710 11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.082 5.392 11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.601 7.786 12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.879 6.484 13.486 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.430 8.688 12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.358 5.825 14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.716 6.146 14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.343 9.096 12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.578 7.993 13.999 1.00 0.00 H new ATOM 299 N ALA A 20 -8.144 8.562 7.513 1.00 0.00 N ATOM 300 CA ALA A 20 -7.715 9.298 6.326 1.00 0.00 C ATOM 301 C ALA A 20 -8.408 10.653 6.244 1.00 0.00 C ATOM 302 O ALA A 20 -7.812 11.648 5.831 1.00 0.00 O ATOM 303 CB ALA A 20 -8.001 8.483 5.071 1.00 0.00 C ATOM 0 H ALA A 20 -8.574 7.660 7.309 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.641 9.470 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.677 9.042 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.460 7.538 5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.071 8.286 5.001 1.00 0.00 H new ATOM 309 N GLU A 21 -9.673 10.673 6.640 1.00 0.00 N ATOM 310 CA GLU A 21 -10.460 11.897 6.673 1.00 0.00 C ATOM 311 C GLU A 21 -9.868 12.899 7.665 1.00 0.00 C ATOM 312 O GLU A 21 -9.682 14.074 7.339 1.00 0.00 O ATOM 313 CB GLU A 21 -11.903 11.557 7.052 1.00 0.00 C ATOM 314 CG GLU A 21 -12.817 12.763 7.186 1.00 0.00 C ATOM 315 CD GLU A 21 -14.225 12.365 7.569 1.00 0.00 C ATOM 316 OE1 GLU A 21 -14.480 12.137 8.770 1.00 0.00 O ATOM 317 OE2 GLU A 21 -15.083 12.268 6.669 1.00 0.00 O ATOM 0 H GLU A 21 -10.181 9.843 6.947 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.443 12.358 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.315 10.886 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.899 11.012 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.414 13.442 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.838 13.309 6.243 1.00 0.00 H new ATOM 324 N VAL A 22 -9.556 12.423 8.867 1.00 0.00 N ATOM 325 CA VAL A 22 -9.037 13.285 9.925 1.00 0.00 C ATOM 326 C VAL A 22 -7.613 13.747 9.626 1.00 0.00 C ATOM 327 O VAL A 22 -7.311 14.939 9.711 1.00 0.00 O ATOM 328 CB VAL A 22 -9.081 12.584 11.296 1.00 0.00 C ATOM 329 CG1 VAL A 22 -8.439 13.449 12.372 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.516 12.249 11.674 1.00 0.00 C ATOM 0 H VAL A 22 -9.654 11.443 9.133 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.684 14.161 9.961 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.512 11.657 11.221 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.483 12.931 13.330 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.398 13.641 12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.975 14.395 12.446 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.530 11.754 12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.102 13.166 11.726 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.945 11.586 10.923 1.00 0.00 H new ATOM 340 N GLU A 23 -6.742 12.810 9.266 1.00 0.00 N ATOM 341 CA GLU A 23 -5.368 13.147 8.907 1.00 0.00 C ATOM 342 C GLU A 23 -5.356 14.018 7.654 1.00 0.00 C ATOM 343 O GLU A 23 -4.418 14.786 7.423 1.00 0.00 O ATOM 344 CB GLU A 23 -4.549 11.878 8.658 1.00 0.00 C ATOM 345 CG GLU A 23 -4.449 10.946 9.858 1.00 0.00 C ATOM 346 CD GLU A 23 -3.679 11.543 11.020 1.00 0.00 C ATOM 347 OE1 GLU A 23 -2.432 11.546 10.971 1.00 0.00 O ATOM 348 OE2 GLU A 23 -4.316 11.998 11.996 1.00 0.00 O ATOM 0 H GLU A 23 -6.961 11.815 9.215 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.921 13.696 9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.993 11.332 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.543 12.164 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.454 10.686 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.966 10.019 9.550 1.00 0.00 H new ATOM 355 N ASP A 24 -6.417 13.881 6.859 1.00 0.00 N ATOM 356 CA ASP A 24 -6.594 14.634 5.622 1.00 0.00 C ATOM 357 C ASP A 24 -5.438 14.368 4.663 1.00 0.00 C ATOM 358 O ASP A 24 -4.649 15.257 4.339 1.00 0.00 O ATOM 359 CB ASP A 24 -6.744 16.136 5.905 1.00 0.00 C ATOM 360 CG ASP A 24 -7.086 16.930 4.661 1.00 0.00 C ATOM 361 OD1 ASP A 24 -7.951 16.481 3.883 1.00 0.00 O ATOM 362 OD2 ASP A 24 -6.483 18.003 4.448 1.00 0.00 O ATOM 0 H ASP A 24 -7.183 13.238 7.059 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.515 14.295 5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.523 16.285 6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.816 16.517 6.331 1.00 0.00 H new ATOM 367 N LYS A 25 -5.342 13.119 4.234 1.00 0.00 N ATOM 368 CA LYS A 25 -4.286 12.683 3.333 1.00 0.00 C ATOM 369 C LYS A 25 -4.705 11.392 2.638 1.00 0.00 C ATOM 370 O LYS A 25 -5.755 10.827 2.956 1.00 0.00 O ATOM 371 CB LYS A 25 -2.971 12.485 4.102 1.00 0.00 C ATOM 372 CG LYS A 25 -3.081 11.537 5.289 1.00 0.00 C ATOM 373 CD LYS A 25 -1.759 11.402 6.032 1.00 0.00 C ATOM 374 CE LYS A 25 -1.272 12.738 6.573 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.043 12.588 7.398 1.00 0.00 N ATOM 0 H LYS A 25 -5.993 12.380 4.500 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.122 13.452 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.215 12.104 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.620 13.454 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.847 11.900 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.404 10.556 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.876 10.698 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.007 10.986 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.071 13.415 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.059 13.195 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.343 13.528 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.276 12.092 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.665 12.040 6.869 1.00 0.00 H new ATOM 389 N LEU A 26 -3.888 10.924 1.702 1.00 0.00 N ATOM 390 CA LEU A 26 -4.205 9.716 0.946 1.00 0.00 C ATOM 391 C LEU A 26 -4.027 8.469 1.801 1.00 0.00 C ATOM 392 O LEU A 26 -3.108 8.382 2.625 1.00 0.00 O ATOM 393 CB LEU A 26 -3.341 9.608 -0.319 1.00 0.00 C ATOM 394 CG LEU A 26 -3.777 10.477 -1.503 1.00 0.00 C ATOM 395 CD1 LEU A 26 -3.558 11.955 -1.217 1.00 0.00 C ATOM 396 CD2 LEU A 26 -3.029 10.066 -2.759 1.00 0.00 C ATOM 0 H LEU A 26 -3.002 11.361 1.448 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.251 9.788 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.316 9.870 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.332 8.567 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.845 10.322 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.878 12.543 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.139 12.246 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.500 12.136 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.348 10.691 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.958 10.190 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.244 9.022 -2.985 1.00 0.00 H new ATOM 408 N LEU A 27 -4.924 7.516 1.616 1.00 0.00 N ATOM 409 CA LEU A 27 -4.870 6.260 2.341 1.00 0.00 C ATOM 410 C LEU A 27 -4.045 5.253 1.554 1.00 0.00 C ATOM 411 O LEU A 27 -4.351 4.957 0.398 1.00 0.00 O ATOM 412 CB LEU A 27 -6.285 5.721 2.575 1.00 0.00 C ATOM 413 CG LEU A 27 -6.372 4.427 3.385 1.00 0.00 C ATOM 414 CD1 LEU A 27 -5.829 4.634 4.789 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.810 3.933 3.437 1.00 0.00 C ATOM 0 H LEU A 27 -5.705 7.590 0.964 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.401 6.426 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.867 6.488 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.756 5.555 1.606 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.761 3.670 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.900 3.701 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.786 4.945 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.411 5.405 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.857 3.011 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.438 4.690 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.166 3.744 2.425 1.00 0.00 H new ATOM 427 N PHE A 28 -2.995 4.740 2.174 1.00 0.00 N ATOM 428 CA PHE A 28 -2.128 3.775 1.522 1.00 0.00 C ATOM 429 C PHE A 28 -2.447 2.375 2.029 1.00 0.00 C ATOM 430 O PHE A 28 -2.210 2.058 3.195 1.00 0.00 O ATOM 431 CB PHE A 28 -0.657 4.119 1.776 1.00 0.00 C ATOM 432 CG PHE A 28 0.306 3.262 1.007 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.533 3.499 -0.338 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.981 2.227 1.626 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.421 2.717 -1.050 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.868 1.441 0.919 1.00 0.00 C ATOM 437 CZ PHE A 28 2.087 1.685 -0.420 1.00 0.00 C ATOM 0 H PHE A 28 -2.723 4.976 3.128 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.302 3.809 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.487 5.164 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.448 4.018 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.011 4.303 -0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.812 2.031 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.594 2.913 -2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.390 0.636 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.779 1.069 -0.976 1.00 0.00 H new ATOM 447 N VAL A 29 -3.007 1.553 1.156 1.00 0.00 N ATOM 448 CA VAL A 29 -3.432 0.215 1.533 1.00 0.00 C ATOM 449 C VAL A 29 -2.429 -0.833 1.070 1.00 0.00 C ATOM 450 O VAL A 29 -2.174 -0.992 -0.126 1.00 0.00 O ATOM 451 CB VAL A 29 -4.824 -0.127 0.960 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.284 -1.498 1.440 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.840 0.942 1.340 1.00 0.00 C ATOM 0 H VAL A 29 -3.178 1.790 0.179 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.489 0.203 2.621 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.746 -0.155 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.267 -1.718 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.573 -2.256 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.341 -1.502 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.814 0.682 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.912 1.006 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.522 1.905 0.940 1.00 0.00 H new ATOM 463 N ASP A 30 -1.857 -1.526 2.041 1.00 0.00 N ATOM 464 CA ASP A 30 -0.948 -2.636 1.794 1.00 0.00 C ATOM 465 C ASP A 30 -1.739 -3.901 1.497 1.00 0.00 C ATOM 466 O ASP A 30 -2.458 -4.410 2.359 1.00 0.00 O ATOM 467 CB ASP A 30 -0.053 -2.860 3.019 1.00 0.00 C ATOM 468 CG ASP A 30 0.805 -4.110 2.923 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.915 -4.034 2.358 1.00 0.00 O ATOM 470 OD2 ASP A 30 0.392 -5.167 3.445 1.00 0.00 O ATOM 0 H ASP A 30 -2.011 -1.333 3.031 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.324 -2.396 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.595 -1.993 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.679 -2.926 3.909 1.00 0.00 H new ATOM 475 N CYS A 31 -1.639 -4.373 0.267 1.00 0.00 N ATOM 476 CA CYS A 31 -2.263 -5.626 -0.117 1.00 0.00 C ATOM 477 C CYS A 31 -1.218 -6.589 -0.651 1.00 0.00 C ATOM 478 O CYS A 31 -0.492 -6.279 -1.598 1.00 0.00 O ATOM 479 CB CYS A 31 -3.360 -5.394 -1.158 1.00 0.00 C ATOM 480 SG CYS A 31 -4.766 -4.455 -0.528 1.00 0.00 S ATOM 0 H CYS A 31 -1.131 -3.906 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.725 -6.064 0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.934 -4.866 -2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.712 -6.359 -1.524 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.731 -4.483 -1.398 1.00 0.00 H new ATOM 486 N PHE A 32 -1.128 -7.749 -0.032 1.00 0.00 N ATOM 487 CA PHE A 32 -0.158 -8.747 -0.436 1.00 0.00 C ATOM 488 C PHE A 32 -0.750 -10.136 -0.288 1.00 0.00 C ATOM 489 O PHE A 32 -1.681 -10.345 0.494 1.00 0.00 O ATOM 490 CB PHE A 32 1.119 -8.633 0.411 1.00 0.00 C ATOM 491 CG PHE A 32 0.945 -9.077 1.841 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.195 -8.327 2.733 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.533 -10.250 2.291 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.035 -8.737 4.043 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.377 -10.664 3.599 1.00 0.00 C ATOM 496 CZ PHE A 32 0.625 -9.906 4.475 1.00 0.00 C ATOM 0 H PHE A 32 -1.716 -8.024 0.755 1.00 0.00 H new ATOM 0 HA PHE A 32 0.099 -8.575 -1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.905 -9.230 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.459 -7.597 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.270 -7.411 2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.120 -10.847 1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.552 -8.142 4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.842 -11.579 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.499 -10.229 5.498 1.00 0.00 H new ATOM 506 N THR A 33 -0.227 -11.075 -1.049 1.00 0.00 N ATOM 507 CA THR A 33 -0.583 -12.467 -0.872 1.00 0.00 C ATOM 508 C THR A 33 0.529 -13.164 -0.090 1.00 0.00 C ATOM 509 O THR A 33 1.685 -12.731 -0.134 1.00 0.00 O ATOM 510 CB THR A 33 -0.794 -13.165 -2.230 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.269 -12.212 -3.190 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.809 -14.294 -2.106 1.00 0.00 C ATOM 0 H THR A 33 0.446 -10.900 -1.795 1.00 0.00 H new ATOM 0 HA THR A 33 -1.522 -12.526 -0.321 1.00 0.00 H new ATOM 0 HB THR A 33 0.159 -13.582 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.222 -12.042 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.942 -14.772 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.450 -15.029 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.763 -13.890 -1.767 1.00 0.00 H new ATOM 520 N THR A 34 0.188 -14.223 0.637 1.00 0.00 N ATOM 521 CA THR A 34 1.155 -14.926 1.480 1.00 0.00 C ATOM 522 C THR A 34 2.245 -15.617 0.651 1.00 0.00 C ATOM 523 O THR A 34 3.166 -16.219 1.204 1.00 0.00 O ATOM 524 CB THR A 34 0.458 -15.964 2.390 1.00 0.00 C ATOM 525 OG1 THR A 34 1.401 -16.537 3.312 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.181 -17.071 1.562 1.00 0.00 C ATOM 0 H THR A 34 -0.753 -14.616 0.661 1.00 0.00 H new ATOM 0 HA THR A 34 1.629 -14.168 2.104 1.00 0.00 H new ATOM 0 HB THR A 34 -0.323 -15.448 2.948 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.275 -16.620 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.665 -17.788 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.923 -16.640 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.587 -17.578 0.978 1.00 0.00 H new ATOM 534 N TRP A 35 2.131 -15.538 -0.669 1.00 0.00 N ATOM 535 CA TRP A 35 3.156 -16.065 -1.557 1.00 0.00 C ATOM 536 C TRP A 35 4.387 -15.172 -1.493 1.00 0.00 C ATOM 537 O TRP A 35 4.327 -13.990 -1.842 1.00 0.00 O ATOM 538 CB TRP A 35 2.629 -16.145 -2.994 1.00 0.00 C ATOM 539 CG TRP A 35 1.470 -17.085 -3.157 1.00 0.00 C ATOM 540 CD1 TRP A 35 0.209 -16.919 -2.668 1.00 0.00 C ATOM 541 CD2 TRP A 35 1.466 -18.327 -3.865 1.00 0.00 C ATOM 542 NE1 TRP A 35 -0.581 -17.983 -3.023 1.00 0.00 N ATOM 543 CE2 TRP A 35 0.167 -18.863 -3.758 1.00 0.00 C ATOM 544 CE3 TRP A 35 2.433 -19.042 -4.575 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -0.185 -20.077 -4.338 1.00 0.00 C ATOM 546 CZ3 TRP A 35 2.081 -20.245 -5.150 1.00 0.00 C ATOM 547 CH2 TRP A 35 0.782 -20.753 -5.029 1.00 0.00 C ATOM 0 H TRP A 35 1.337 -15.113 -1.148 1.00 0.00 H new ATOM 0 HA TRP A 35 3.425 -17.072 -1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.327 -15.149 -3.317 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.438 -16.462 -3.652 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.121 -16.072 -2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.565 -18.099 -2.779 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.438 -18.660 -4.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.186 -20.472 -4.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.820 -20.805 -5.703 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.539 -21.698 -5.491 1.00 0.00 H new ATOM 558 N CYS A 36 5.499 -15.734 -1.049 1.00 0.00 N ATOM 559 CA CYS A 36 6.699 -14.956 -0.798 1.00 0.00 C ATOM 560 C CYS A 36 7.602 -14.890 -2.028 1.00 0.00 C ATOM 561 O CYS A 36 8.479 -15.731 -2.222 1.00 0.00 O ATOM 562 CB CYS A 36 7.454 -15.530 0.404 1.00 0.00 C ATOM 563 SG CYS A 36 7.517 -17.339 0.440 1.00 0.00 S ATOM 0 H CYS A 36 5.595 -16.731 -0.854 1.00 0.00 H new ATOM 0 HA CYS A 36 6.395 -13.934 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.472 -15.141 0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.981 -15.175 1.320 1.00 0.00 H new ATOM 0 HG CYS A 36 8.177 -17.729 1.490 1.00 0.00 H new ATOM 569 N GLY A 37 7.355 -13.895 -2.866 1.00 0.00 N ATOM 570 CA GLY A 37 8.187 -13.662 -4.030 1.00 0.00 C ATOM 571 C GLY A 37 8.570 -12.202 -4.141 1.00 0.00 C ATOM 572 O GLY A 37 9.382 -11.714 -3.355 1.00 0.00 O ATOM 0 H GLY A 37 6.583 -13.237 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.087 -14.274 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.655 -13.971 -4.929 1.00 0.00 H new ATOM 576 N PRO A 38 7.976 -11.466 -5.097 1.00 0.00 N ATOM 577 CA PRO A 38 8.201 -10.021 -5.248 1.00 0.00 C ATOM 578 C PRO A 38 7.941 -9.248 -3.954 1.00 0.00 C ATOM 579 O PRO A 38 8.596 -8.243 -3.683 1.00 0.00 O ATOM 580 CB PRO A 38 7.190 -9.615 -6.321 1.00 0.00 C ATOM 581 CG PRO A 38 6.950 -10.857 -7.104 1.00 0.00 C ATOM 582 CD PRO A 38 7.054 -11.989 -6.122 1.00 0.00 C ATOM 0 HA PRO A 38 9.236 -9.798 -5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.267 -9.244 -5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.582 -8.818 -6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.967 -10.838 -7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.684 -10.964 -7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.083 -12.243 -5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.444 -12.893 -6.590 1.00 0.00 H new ATOM 590 N CYS A 39 6.991 -9.727 -3.154 1.00 0.00 N ATOM 591 CA CYS A 39 6.666 -9.091 -1.882 1.00 0.00 C ATOM 592 C CYS A 39 7.853 -9.174 -0.920 1.00 0.00 C ATOM 593 O CYS A 39 8.092 -8.258 -0.127 1.00 0.00 O ATOM 594 CB CYS A 39 5.430 -9.752 -1.261 1.00 0.00 C ATOM 595 SG CYS A 39 4.909 -9.043 0.319 1.00 0.00 S ATOM 0 H CYS A 39 6.433 -10.554 -3.365 1.00 0.00 H new ATOM 0 HA CYS A 39 6.447 -8.039 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.603 -9.680 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.635 -10.813 -1.118 1.00 0.00 H new ATOM 0 HG CYS A 39 3.858 -9.673 0.752 1.00 0.00 H new ATOM 601 N LYS A 40 8.609 -10.264 -1.012 1.00 0.00 N ATOM 602 CA LYS A 40 9.765 -10.458 -0.150 1.00 0.00 C ATOM 603 C LYS A 40 10.908 -9.556 -0.602 1.00 0.00 C ATOM 604 O LYS A 40 11.655 -9.030 0.220 1.00 0.00 O ATOM 605 CB LYS A 40 10.203 -11.924 -0.153 1.00 0.00 C ATOM 606 CG LYS A 40 11.324 -12.230 0.830 1.00 0.00 C ATOM 607 CD LYS A 40 11.635 -13.718 0.879 1.00 0.00 C ATOM 608 CE LYS A 40 12.743 -14.020 1.877 1.00 0.00 C ATOM 609 NZ LYS A 40 12.411 -13.532 3.241 1.00 0.00 N ATOM 0 H LYS A 40 8.441 -11.023 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 40 9.489 -10.191 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.343 -12.551 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.529 -12.195 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.220 -11.680 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.041 -11.884 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.736 -14.270 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.932 -14.062 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.919 -15.095 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.670 -13.555 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.054 -13.969 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.517 -12.498 3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.429 -13.787 3.472 1.00 0.00 H new ATOM 623 N ARG A 41 11.020 -9.362 -1.912 1.00 0.00 N ATOM 624 CA ARG A 41 12.030 -8.474 -2.469 1.00 0.00 C ATOM 625 C ARG A 41 11.794 -7.048 -1.985 1.00 0.00 C ATOM 626 O ARG A 41 12.730 -6.333 -1.626 1.00 0.00 O ATOM 627 CB ARG A 41 11.989 -8.502 -3.996 1.00 0.00 C ATOM 628 CG ARG A 41 12.027 -9.890 -4.598 1.00 0.00 C ATOM 629 CD ARG A 41 12.270 -9.815 -6.093 1.00 0.00 C ATOM 630 NE ARG A 41 13.646 -9.424 -6.403 1.00 0.00 N ATOM 631 CZ ARG A 41 13.987 -8.333 -7.094 1.00 0.00 C ATOM 632 NH1 ARG A 41 13.058 -7.484 -7.527 1.00 0.00 N ATOM 633 NH2 ARG A 41 15.267 -8.096 -7.361 1.00 0.00 N ATOM 0 H ARG A 41 10.422 -9.809 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 41 13.009 -8.817 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.083 -7.998 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.833 -7.929 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.815 -10.476 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.086 -10.404 -4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.057 -10.784 -6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.580 -9.098 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 41 14.397 -10.027 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.073 -7.663 -7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.331 -6.654 -8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.984 -8.746 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.532 -7.264 -7.888 1.00 0.00 H new ATOM 647 N LEU A 42 10.525 -6.657 -1.981 1.00 0.00 N ATOM 648 CA LEU A 42 10.110 -5.342 -1.509 1.00 0.00 C ATOM 649 C LEU A 42 10.468 -5.168 -0.035 1.00 0.00 C ATOM 650 O LEU A 42 11.081 -4.172 0.359 1.00 0.00 O ATOM 651 CB LEU A 42 8.599 -5.186 -1.702 1.00 0.00 C ATOM 652 CG LEU A 42 8.015 -3.824 -1.325 1.00 0.00 C ATOM 653 CD1 LEU A 42 8.490 -2.750 -2.290 1.00 0.00 C ATOM 654 CD2 LEU A 42 6.496 -3.892 -1.298 1.00 0.00 C ATOM 0 H LEU A 42 9.755 -7.243 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 42 10.631 -4.577 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.363 -5.384 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.096 -5.952 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 42 8.367 -3.560 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.063 -1.789 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.578 -2.688 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.170 -3.002 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.093 -2.916 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.127 -4.177 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.178 -4.632 -0.563 1.00 0.00 H new ATOM 666 N SER A 43 10.097 -6.157 0.767 1.00 0.00 N ATOM 667 CA SER A 43 10.342 -6.125 2.203 1.00 0.00 C ATOM 668 C SER A 43 11.837 -6.135 2.521 1.00 0.00 C ATOM 669 O SER A 43 12.268 -5.592 3.540 1.00 0.00 O ATOM 670 CB SER A 43 9.649 -7.313 2.871 1.00 0.00 C ATOM 671 OG SER A 43 8.255 -7.294 2.609 1.00 0.00 O ATOM 0 H SER A 43 9.621 -6.999 0.444 1.00 0.00 H new ATOM 0 HA SER A 43 9.930 -5.195 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.080 -8.245 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.822 -7.283 3.947 1.00 0.00 H new ATOM 0 HG SER A 43 8.091 -7.590 1.689 1.00 0.00 H new ATOM 677 N LYS A 44 12.615 -6.759 1.647 1.00 0.00 N ATOM 678 CA LYS A 44 14.049 -6.898 1.850 1.00 0.00 C ATOM 679 C LYS A 44 14.748 -5.536 1.800 1.00 0.00 C ATOM 680 O LYS A 44 15.383 -5.119 2.769 1.00 0.00 O ATOM 681 CB LYS A 44 14.623 -7.839 0.781 1.00 0.00 C ATOM 682 CG LYS A 44 15.937 -8.524 1.156 1.00 0.00 C ATOM 683 CD LYS A 44 17.112 -7.560 1.167 1.00 0.00 C ATOM 684 CE LYS A 44 18.423 -8.268 1.476 1.00 0.00 C ATOM 685 NZ LYS A 44 18.406 -8.931 2.808 1.00 0.00 N ATOM 0 H LYS A 44 12.272 -7.180 0.784 1.00 0.00 H new ATOM 0 HA LYS A 44 14.226 -7.321 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.882 -8.607 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.777 -7.270 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.837 -8.981 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.138 -9.329 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.186 -7.066 0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.936 -6.781 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.622 -9.012 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.240 -7.547 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.366 -9.252 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.077 -8.256 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.764 -9.749 2.781 1.00 0.00 H new ATOM 699 N VAL A 45 14.614 -4.837 0.678 1.00 0.00 N ATOM 700 CA VAL A 45 15.376 -3.618 0.451 1.00 0.00 C ATOM 701 C VAL A 45 14.613 -2.346 0.833 1.00 0.00 C ATOM 702 O VAL A 45 15.165 -1.460 1.489 1.00 0.00 O ATOM 703 CB VAL A 45 15.829 -3.516 -1.019 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.912 -4.541 -1.319 1.00 0.00 C ATOM 705 CG2 VAL A 45 14.656 -3.693 -1.972 1.00 0.00 C ATOM 0 H VAL A 45 13.987 -5.094 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 45 16.245 -3.688 1.105 1.00 0.00 H new ATOM 0 HB VAL A 45 16.240 -2.518 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 45 17.218 -4.453 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 45 17.771 -4.363 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 45 16.524 -5.544 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 45 15.008 -3.616 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 45 14.205 -4.673 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.914 -2.917 -1.783 1.00 0.00 H new ATOM 715 N VAL A 46 13.355 -2.255 0.431 1.00 0.00 N ATOM 716 CA VAL A 46 12.590 -1.020 0.594 1.00 0.00 C ATOM 717 C VAL A 46 12.248 -0.762 2.058 1.00 0.00 C ATOM 718 O VAL A 46 12.327 0.370 2.534 1.00 0.00 O ATOM 719 CB VAL A 46 11.295 -1.050 -0.247 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.518 0.252 -0.104 1.00 0.00 C ATOM 721 CG2 VAL A 46 11.621 -1.322 -1.708 1.00 0.00 C ATOM 0 H VAL A 46 12.840 -3.017 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 46 13.222 -0.206 0.238 1.00 0.00 H new ATOM 0 HB VAL A 46 10.665 -1.857 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.611 0.203 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.251 0.403 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.135 1.083 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.699 -1.340 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.274 -0.536 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.124 -2.285 -1.795 1.00 0.00 H new ATOM 731 N PHE A 47 11.899 -1.819 2.775 1.00 0.00 N ATOM 732 CA PHE A 47 11.505 -1.699 4.176 1.00 0.00 C ATOM 733 C PHE A 47 12.722 -1.626 5.096 1.00 0.00 C ATOM 734 O PHE A 47 12.797 -2.324 6.108 1.00 0.00 O ATOM 735 CB PHE A 47 10.595 -2.865 4.577 1.00 0.00 C ATOM 736 CG PHE A 47 9.205 -2.754 4.020 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.932 -3.121 2.713 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.172 -2.275 4.805 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.654 -3.010 2.199 1.00 0.00 C ATOM 740 CE2 PHE A 47 6.893 -2.165 4.299 1.00 0.00 C ATOM 741 CZ PHE A 47 6.633 -2.532 2.993 1.00 0.00 C ATOM 0 H PHE A 47 11.880 -2.772 2.412 1.00 0.00 H new ATOM 0 HA PHE A 47 10.951 -0.767 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.042 -3.799 4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.540 -2.916 5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.728 -3.499 2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.369 -1.984 5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.455 -3.297 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.095 -1.792 4.924 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.633 -2.445 2.595 1.00 0.00 H new ATOM 751 N LYS A 48 13.661 -0.760 4.737 1.00 0.00 N ATOM 752 CA LYS A 48 14.859 -0.544 5.535 1.00 0.00 C ATOM 753 C LYS A 48 15.320 0.910 5.417 1.00 0.00 C ATOM 754 O LYS A 48 15.765 1.512 6.397 1.00 0.00 O ATOM 755 CB LYS A 48 15.985 -1.479 5.090 1.00 0.00 C ATOM 756 CG LYS A 48 17.206 -1.415 5.992 1.00 0.00 C ATOM 757 CD LYS A 48 18.396 -2.150 5.398 1.00 0.00 C ATOM 758 CE LYS A 48 18.104 -3.624 5.173 1.00 0.00 C ATOM 759 NZ LYS A 48 19.291 -4.339 4.643 1.00 0.00 N ATOM 0 H LYS A 48 13.614 -0.192 3.891 1.00 0.00 H new ATOM 0 HA LYS A 48 14.616 -0.761 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.611 -2.503 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.279 -1.224 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.474 -0.373 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.962 -1.847 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.671 -1.687 4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.253 -2.048 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.792 -4.081 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.273 -3.729 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.057 -5.342 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.573 -3.917 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.076 -4.259 5.321 1.00 0.00 H new ATOM 773 N ASP A 49 15.209 1.465 4.212 1.00 0.00 N ATOM 774 CA ASP A 49 15.637 2.841 3.951 1.00 0.00 C ATOM 775 C ASP A 49 14.800 3.838 4.746 1.00 0.00 C ATOM 776 O ASP A 49 13.569 3.788 4.720 1.00 0.00 O ATOM 777 CB ASP A 49 15.548 3.165 2.456 1.00 0.00 C ATOM 778 CG ASP A 49 15.961 4.594 2.152 1.00 0.00 C ATOM 779 OD1 ASP A 49 17.178 4.870 2.134 1.00 0.00 O ATOM 780 OD2 ASP A 49 15.072 5.444 1.934 1.00 0.00 O ATOM 0 H ASP A 49 14.826 0.983 3.399 1.00 0.00 H new ATOM 0 HA ASP A 49 16.676 2.927 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.185 2.478 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.527 3.003 2.111 1.00 0.00 H new ATOM 785 N SER A 50 15.475 4.744 5.440 1.00 0.00 N ATOM 786 CA SER A 50 14.814 5.696 6.318 1.00 0.00 C ATOM 787 C SER A 50 13.977 6.700 5.530 1.00 0.00 C ATOM 788 O SER A 50 12.869 7.043 5.933 1.00 0.00 O ATOM 789 CB SER A 50 15.859 6.436 7.156 1.00 0.00 C ATOM 790 OG SER A 50 16.727 5.523 7.807 1.00 0.00 O ATOM 0 H SER A 50 16.490 4.839 5.410 1.00 0.00 H new ATOM 0 HA SER A 50 14.141 5.140 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.439 7.101 6.516 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.360 7.061 7.897 1.00 0.00 H new ATOM 0 HG SER A 50 17.387 6.019 8.335 1.00 0.00 H new ATOM 796 N LEU A 51 14.500 7.151 4.396 1.00 0.00 N ATOM 797 CA LEU A 51 13.868 8.217 3.634 1.00 0.00 C ATOM 798 C LEU A 51 12.570 7.749 2.981 1.00 0.00 C ATOM 799 O LEU A 51 11.539 8.416 3.093 1.00 0.00 O ATOM 800 CB LEU A 51 14.834 8.749 2.575 1.00 0.00 C ATOM 801 CG LEU A 51 16.086 9.439 3.125 1.00 0.00 C ATOM 802 CD1 LEU A 51 16.991 9.880 1.986 1.00 0.00 C ATOM 803 CD2 LEU A 51 15.701 10.631 3.992 1.00 0.00 C ATOM 0 H LEU A 51 15.362 6.793 3.985 1.00 0.00 H new ATOM 0 HA LEU A 51 13.617 9.020 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.145 7.920 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.299 9.454 1.939 1.00 0.00 H new ATOM 0 HG LEU A 51 16.631 8.726 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.876 10.369 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.293 9.010 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.454 10.578 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 51 16.603 11.109 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.135 11.347 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.089 10.291 4.827 1.00 0.00 H new ATOM 815 N VAL A 52 12.620 6.602 2.316 1.00 0.00 N ATOM 816 CA VAL A 52 11.444 6.061 1.641 1.00 0.00 C ATOM 817 C VAL A 52 10.384 5.668 2.663 1.00 0.00 C ATOM 818 O VAL A 52 9.188 5.887 2.463 1.00 0.00 O ATOM 819 CB VAL A 52 11.809 4.849 0.748 1.00 0.00 C ATOM 820 CG1 VAL A 52 12.081 3.593 1.560 1.00 0.00 C ATOM 821 CG2 VAL A 52 10.730 4.600 -0.293 1.00 0.00 C ATOM 0 H VAL A 52 13.459 6.029 2.229 1.00 0.00 H new ATOM 0 HA VAL A 52 11.042 6.840 0.994 1.00 0.00 H new ATOM 0 HB VAL A 52 12.736 5.100 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.332 2.772 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.914 3.773 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.193 3.332 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.008 3.744 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.783 4.395 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.624 5.482 -0.925 1.00 0.00 H new ATOM 831 N ALA A 53 10.843 5.103 3.770 1.00 0.00 N ATOM 832 CA ALA A 53 9.960 4.726 4.863 1.00 0.00 C ATOM 833 C ALA A 53 9.276 5.951 5.452 1.00 0.00 C ATOM 834 O ALA A 53 8.057 5.973 5.604 1.00 0.00 O ATOM 835 CB ALA A 53 10.729 3.981 5.939 1.00 0.00 C ATOM 0 H ALA A 53 11.828 4.895 3.935 1.00 0.00 H new ATOM 0 HA ALA A 53 9.192 4.063 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.051 3.708 6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.169 3.079 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.520 4.621 6.330 1.00 0.00 H new ATOM 841 N ASP A 54 10.071 6.969 5.767 1.00 0.00 N ATOM 842 CA ASP A 54 9.557 8.220 6.322 1.00 0.00 C ATOM 843 C ASP A 54 8.530 8.845 5.386 1.00 0.00 C ATOM 844 O ASP A 54 7.466 9.285 5.820 1.00 0.00 O ATOM 845 CB ASP A 54 10.710 9.200 6.558 1.00 0.00 C ATOM 846 CG ASP A 54 10.245 10.553 7.050 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.005 10.697 8.268 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.136 11.485 6.225 1.00 0.00 O ATOM 0 H ASP A 54 11.084 6.952 5.646 1.00 0.00 H new ATOM 0 HA ASP A 54 9.070 8.000 7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.400 8.772 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.266 9.329 5.629 1.00 0.00 H new ATOM 853 N TYR A 55 8.852 8.849 4.100 1.00 0.00 N ATOM 854 CA TYR A 55 7.981 9.417 3.080 1.00 0.00 C ATOM 855 C TYR A 55 6.583 8.802 3.139 1.00 0.00 C ATOM 856 O TYR A 55 5.596 9.513 3.322 1.00 0.00 O ATOM 857 CB TYR A 55 8.605 9.208 1.695 1.00 0.00 C ATOM 858 CG TYR A 55 7.734 9.651 0.539 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.642 10.991 0.183 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.011 8.725 -0.201 1.00 0.00 C ATOM 861 CE1 TYR A 55 6.850 11.392 -0.876 1.00 0.00 C ATOM 862 CE2 TYR A 55 6.219 9.117 -1.261 1.00 0.00 C ATOM 863 CZ TYR A 55 6.143 10.451 -1.595 1.00 0.00 C ATOM 864 OH TYR A 55 5.358 10.844 -2.655 1.00 0.00 O ATOM 0 H TYR A 55 9.721 8.460 3.735 1.00 0.00 H new ATOM 0 HA TYR A 55 7.877 10.485 3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.549 9.751 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.839 8.151 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.197 11.730 0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.070 7.678 0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.785 12.437 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 55 5.663 8.383 -1.825 1.00 0.00 H new ATOM 0 HH TYR A 55 4.929 10.058 -3.054 1.00 0.00 H new ATOM 874 N PHE A 56 6.505 7.485 3.006 1.00 0.00 N ATOM 875 CA PHE A 56 5.220 6.803 2.984 1.00 0.00 C ATOM 876 C PHE A 56 4.559 6.793 4.359 1.00 0.00 C ATOM 877 O PHE A 56 3.344 6.935 4.468 1.00 0.00 O ATOM 878 CB PHE A 56 5.380 5.370 2.469 1.00 0.00 C ATOM 879 CG PHE A 56 5.581 5.279 0.982 1.00 0.00 C ATOM 880 CD1 PHE A 56 4.495 5.320 0.121 1.00 0.00 C ATOM 881 CD2 PHE A 56 6.851 5.145 0.445 1.00 0.00 C ATOM 882 CE1 PHE A 56 4.673 5.233 -1.247 1.00 0.00 C ATOM 883 CE2 PHE A 56 7.035 5.057 -0.922 1.00 0.00 C ATOM 884 CZ PHE A 56 5.945 5.101 -1.769 1.00 0.00 C ATOM 0 H PHE A 56 7.313 6.870 2.912 1.00 0.00 H new ATOM 0 HA PHE A 56 4.571 7.357 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.230 4.906 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.496 4.795 2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.498 5.421 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.707 5.109 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.819 5.268 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.031 4.954 -1.328 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.087 5.032 -2.837 1.00 0.00 H new ATOM 894 N ASN A 57 5.358 6.643 5.407 1.00 0.00 N ATOM 895 CA ASN A 57 4.822 6.526 6.762 1.00 0.00 C ATOM 896 C ASN A 57 4.218 7.846 7.239 1.00 0.00 C ATOM 897 O ASN A 57 3.217 7.854 7.956 1.00 0.00 O ATOM 898 CB ASN A 57 5.913 6.073 7.736 1.00 0.00 C ATOM 899 CG ASN A 57 5.350 5.588 9.061 1.00 0.00 C ATOM 900 OD1 ASN A 57 4.248 5.039 9.120 1.00 0.00 O ATOM 901 ND2 ASN A 57 6.105 5.779 10.132 1.00 0.00 N ATOM 0 H ASN A 57 6.375 6.599 5.349 1.00 0.00 H new ATOM 0 HA ASN A 57 4.031 5.776 6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.494 5.273 7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.599 6.901 7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.780 5.467 11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.012 6.238 10.042 1.00 0.00 H new ATOM 908 N ARG A 58 4.828 8.956 6.848 1.00 0.00 N ATOM 909 CA ARG A 58 4.360 10.268 7.278 1.00 0.00 C ATOM 910 C ARG A 58 3.296 10.823 6.331 1.00 0.00 C ATOM 911 O ARG A 58 2.240 11.275 6.767 1.00 0.00 O ATOM 912 CB ARG A 58 5.530 11.253 7.365 1.00 0.00 C ATOM 913 CG ARG A 58 5.132 12.629 7.883 1.00 0.00 C ATOM 914 CD ARG A 58 4.716 12.583 9.347 1.00 0.00 C ATOM 915 NE ARG A 58 5.861 12.396 10.242 1.00 0.00 N ATOM 916 CZ ARG A 58 5.767 11.980 11.506 1.00 0.00 C ATOM 917 NH1 ARG A 58 4.590 11.646 12.018 1.00 0.00 N ATOM 918 NH2 ARG A 58 6.854 11.903 12.262 1.00 0.00 N ATOM 0 H ARG A 58 5.644 8.976 6.237 1.00 0.00 H new ATOM 0 HA ARG A 58 3.913 10.146 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.297 10.836 8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.977 11.361 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.968 13.318 7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.310 13.019 7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.202 13.509 9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.004 11.771 9.495 1.00 0.00 H new ATOM 0 HE ARG A 58 6.791 12.597 9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.749 11.706 11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.526 11.329 12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.762 12.162 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.782 11.585 13.228 1.00 0.00 H new ATOM 932 N HIS A 59 3.574 10.775 5.032 1.00 0.00 N ATOM 933 CA HIS A 59 2.718 11.430 4.041 1.00 0.00 C ATOM 934 C HIS A 59 1.409 10.673 3.832 1.00 0.00 C ATOM 935 O HIS A 59 0.402 11.261 3.443 1.00 0.00 O ATOM 936 CB HIS A 59 3.447 11.578 2.701 1.00 0.00 C ATOM 937 CG HIS A 59 4.561 12.587 2.707 1.00 0.00 C ATOM 938 ND1 HIS A 59 4.863 13.373 1.618 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.451 12.930 3.669 1.00 0.00 C ATOM 940 CE1 HIS A 59 5.889 14.154 1.907 1.00 0.00 C ATOM 941 NE2 HIS A 59 6.263 13.902 3.144 1.00 0.00 N ATOM 0 H HIS A 59 4.382 10.292 4.639 1.00 0.00 H new ATOM 0 HA HIS A 59 2.481 12.420 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.853 10.608 2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.723 11.859 1.937 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.510 12.515 4.664 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.343 14.875 1.243 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.034 14.357 3.633 1.00 0.00 H new ATOM 950 N PHE A 60 1.422 9.374 4.094 1.00 0.00 N ATOM 951 CA PHE A 60 0.240 8.547 3.887 1.00 0.00 C ATOM 952 C PHE A 60 -0.143 7.829 5.173 1.00 0.00 C ATOM 953 O PHE A 60 0.698 7.616 6.047 1.00 0.00 O ATOM 954 CB PHE A 60 0.493 7.507 2.790 1.00 0.00 C ATOM 955 CG PHE A 60 0.902 8.092 1.464 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.049 8.471 0.533 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.242 8.256 1.151 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.327 9.007 -0.686 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.626 8.792 -0.062 1.00 0.00 C ATOM 960 CZ PHE A 60 1.667 9.167 -0.982 1.00 0.00 C ATOM 0 H PHE A 60 2.235 8.870 4.449 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.575 9.203 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.271 6.822 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.412 6.916 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.097 8.347 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.996 7.961 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.425 9.299 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.674 8.918 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.964 9.585 -1.932 1.00 0.00 H new ATOM 970 N VAL A 61 -1.414 7.474 5.300 1.00 0.00 N ATOM 971 CA VAL A 61 -1.848 6.613 6.388 1.00 0.00 C ATOM 972 C VAL A 61 -1.742 5.167 5.934 1.00 0.00 C ATOM 973 O VAL A 61 -2.443 4.743 5.015 1.00 0.00 O ATOM 974 CB VAL A 61 -3.291 6.923 6.850 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.756 5.914 7.891 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.376 8.332 7.415 1.00 0.00 C ATOM 0 H VAL A 61 -2.158 7.767 4.667 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.201 6.795 7.246 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.947 6.850 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.773 6.153 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.733 4.912 7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.095 5.953 8.757 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.398 8.534 7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.703 8.423 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.088 9.050 6.647 1.00 0.00 H new ATOM 986 N ASN A 62 -0.849 4.425 6.564 1.00 0.00 N ATOM 987 CA ASN A 62 -0.515 3.087 6.105 1.00 0.00 C ATOM 988 C ASN A 62 -1.397 2.033 6.751 1.00 0.00 C ATOM 989 O ASN A 62 -1.284 1.741 7.945 1.00 0.00 O ATOM 990 CB ASN A 62 0.959 2.789 6.369 1.00 0.00 C ATOM 991 CG ASN A 62 1.871 3.665 5.536 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.248 3.305 4.423 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.226 4.827 6.062 1.00 0.00 N ATOM 0 H ASN A 62 -0.341 4.726 7.396 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.697 3.050 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.176 2.941 7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.162 1.741 6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.833 5.459 5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.892 5.090 6.989 1.00 0.00 H new ATOM 1000 N LEU A 63 -2.275 1.470 5.943 1.00 0.00 N ATOM 1001 CA LEU A 63 -3.176 0.416 6.373 1.00 0.00 C ATOM 1002 C LEU A 63 -2.686 -0.923 5.838 1.00 0.00 C ATOM 1003 O LEU A 63 -2.225 -1.004 4.706 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.591 0.702 5.858 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.641 -0.359 6.193 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.931 -0.370 7.685 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.910 -0.119 5.392 1.00 0.00 C ATOM 0 H LEU A 63 -2.384 1.732 4.963 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.197 0.379 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.921 1.657 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.548 0.817 4.775 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.247 -1.338 5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.680 -1.131 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.015 -0.594 8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.306 0.607 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.647 -0.882 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.311 0.866 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.683 -0.168 4.327 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.771 -1.965 6.646 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.342 -3.285 6.207 1.00 0.00 C ATOM 1021 C LYS A 64 -3.489 -4.282 6.307 1.00 0.00 C ATOM 1022 O LYS A 64 -4.194 -4.324 7.316 1.00 0.00 O ATOM 1023 CB LYS A 64 -1.147 -3.756 7.037 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.495 -5.018 6.502 1.00 0.00 C ATOM 1025 CD LYS A 64 0.769 -5.358 7.272 1.00 0.00 C ATOM 1026 CE LYS A 64 1.494 -6.544 6.656 1.00 0.00 C ATOM 1027 NZ LYS A 64 1.953 -6.263 5.270 1.00 0.00 N ATOM 0 H LYS A 64 -3.129 -1.926 7.600 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.036 -3.221 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.403 -2.960 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.474 -3.932 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.198 -5.849 6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.256 -4.886 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.432 -4.493 7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.516 -5.583 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.352 -6.805 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.831 -7.409 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.556 -7.043 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.128 -6.173 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.496 -5.376 5.257 1.00 0.00 H new ATOM 1041 N MET A 65 -3.684 -5.062 5.250 1.00 0.00 N ATOM 1042 CA MET A 65 -4.751 -6.059 5.209 1.00 0.00 C ATOM 1043 C MET A 65 -4.320 -7.276 4.405 1.00 0.00 C ATOM 1044 O MET A 65 -3.414 -7.194 3.577 1.00 0.00 O ATOM 1045 CB MET A 65 -6.020 -5.472 4.580 1.00 0.00 C ATOM 1046 CG MET A 65 -6.819 -4.569 5.504 1.00 0.00 C ATOM 1047 SD MET A 65 -8.261 -3.855 4.689 1.00 0.00 S ATOM 1048 CE MET A 65 -9.069 -3.065 6.074 1.00 0.00 C ATOM 0 H MET A 65 -3.114 -5.024 4.405 1.00 0.00 H new ATOM 0 HA MET A 65 -4.961 -6.358 6.236 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.742 -4.906 3.691 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.659 -6.291 4.250 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.142 -5.139 6.375 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.177 -3.767 5.869 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.701 -2.254 5.712 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.682 -3.795 6.603 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.317 -2.663 6.753 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.968 -8.402 4.655 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.753 -9.594 3.847 1.00 0.00 C ATOM 1060 C ASP A 66 -5.806 -9.688 2.794 1.00 0.00 C ATOM 1061 O ASP A 66 -6.874 -9.088 2.904 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.861 -10.897 4.608 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.733 -11.851 4.278 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -3.737 -12.406 3.158 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -2.849 -12.059 5.133 1.00 0.00 O ATOM 0 H ASP A 66 -5.646 -8.517 5.409 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.740 -9.478 3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.858 -10.691 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.815 -11.372 4.377 1.00 0.00 H new ATOM 1070 N MET A 67 -5.508 -10.454 1.782 1.00 0.00 N ATOM 1071 CA MET A 67 -6.503 -10.816 0.813 1.00 0.00 C ATOM 1072 C MET A 67 -6.971 -12.251 1.025 1.00 0.00 C ATOM 1073 O MET A 67 -7.842 -12.740 0.306 1.00 0.00 O ATOM 1074 CB MET A 67 -5.963 -10.670 -0.585 1.00 0.00 C ATOM 1075 CG MET A 67 -4.566 -11.234 -0.778 1.00 0.00 C ATOM 1076 SD MET A 67 -3.904 -10.882 -2.413 1.00 0.00 S ATOM 1077 CE MET A 67 -3.932 -9.089 -2.404 1.00 0.00 C ATOM 0 H MET A 67 -4.581 -10.841 1.607 1.00 0.00 H new ATOM 0 HA MET A 67 -7.350 -10.142 0.943 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.642 -11.167 -1.278 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.955 -9.613 -0.850 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.901 -10.816 -0.022 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.588 -12.313 -0.622 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.055 -8.709 -2.929 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.835 -8.737 -2.903 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.923 -8.730 -1.375 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.398 -12.923 2.013 1.00 0.00 N ATOM 1088 CA GLU A 68 -6.729 -14.316 2.276 1.00 0.00 C ATOM 1089 C GLU A 68 -7.442 -14.448 3.619 1.00 0.00 C ATOM 1090 O GLU A 68 -8.199 -15.388 3.846 1.00 0.00 O ATOM 1091 CB GLU A 68 -5.450 -15.156 2.279 1.00 0.00 C ATOM 1092 CG GLU A 68 -5.690 -16.655 2.242 1.00 0.00 C ATOM 1093 CD GLU A 68 -6.194 -17.139 0.895 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -7.421 -17.105 0.665 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -5.367 -17.560 0.057 1.00 0.00 O ATOM 0 H GLU A 68 -5.702 -12.527 2.645 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.395 -14.675 1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.842 -14.875 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.872 -14.914 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.762 -17.173 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.414 -16.921 3.012 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.199 -13.492 4.500 1.00 0.00 N ATOM 1103 CA LYS A 69 -7.843 -13.480 5.806 1.00 0.00 C ATOM 1104 C LYS A 69 -9.002 -12.491 5.836 1.00 0.00 C ATOM 1105 O LYS A 69 -8.966 -11.458 5.162 1.00 0.00 O ATOM 1106 CB LYS A 69 -6.837 -13.116 6.902 1.00 0.00 C ATOM 1107 CG LYS A 69 -5.690 -14.104 7.047 1.00 0.00 C ATOM 1108 CD LYS A 69 -6.191 -15.505 7.354 1.00 0.00 C ATOM 1109 CE LYS A 69 -5.053 -16.431 7.751 1.00 0.00 C ATOM 1110 NZ LYS A 69 -4.409 -16.001 9.018 1.00 0.00 N ATOM 0 H LYS A 69 -6.561 -12.713 4.336 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.229 -14.482 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.427 -12.129 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.363 -13.045 7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.105 -14.120 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.023 -13.773 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.924 -15.462 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.702 -15.909 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.433 -17.447 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.309 -16.455 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.876 -16.797 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.760 -15.211 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.139 -15.693 9.692 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.032 -12.831 6.603 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.145 -11.929 6.824 1.00 0.00 C ATOM 1126 C GLY A 70 -11.908 -11.594 5.559 1.00 0.00 C ATOM 1127 O GLY A 70 -12.191 -12.468 4.737 1.00 0.00 O ATOM 0 H GLY A 70 -10.115 -13.728 7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.829 -12.378 7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.773 -11.007 7.270 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.219 -10.317 5.395 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.987 -9.845 4.251 1.00 0.00 C ATOM 1133 C GLU A 71 -12.079 -9.628 3.041 1.00 0.00 C ATOM 1134 O GLU A 71 -12.497 -9.070 2.024 1.00 0.00 O ATOM 1135 CB GLU A 71 -13.718 -8.551 4.621 1.00 0.00 C ATOM 1136 CG GLU A 71 -12.796 -7.437 5.097 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.552 -6.247 5.652 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -14.367 -5.657 4.912 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -13.330 -5.890 6.830 1.00 0.00 O ATOM 0 H GLU A 71 -11.948 -9.581 6.047 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.723 -10.603 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.278 -8.201 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.445 -8.767 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.128 -7.827 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.171 -7.109 4.267 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.843 -10.106 3.156 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.865 -9.954 2.098 1.00 0.00 C ATOM 1148 C GLY A 72 -10.305 -10.573 0.788 1.00 0.00 C ATOM 1149 O GLY A 72 -9.939 -10.090 -0.278 1.00 0.00 O ATOM 0 H GLY A 72 -10.500 -10.603 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.668 -8.893 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.926 -10.410 2.411 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.082 -11.649 0.861 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.544 -12.339 -0.342 1.00 0.00 C ATOM 1155 C VAL A 73 -12.421 -11.432 -1.214 1.00 0.00 C ATOM 1156 O VAL A 73 -12.364 -11.491 -2.447 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.309 -13.638 0.000 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -11.367 -14.652 0.624 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -13.486 -13.359 0.928 1.00 0.00 C ATOM 0 H VAL A 73 -11.405 -12.062 1.736 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.651 -12.604 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.708 -14.051 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.917 -15.563 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.566 -14.884 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.941 -14.238 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.004 -14.292 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.121 -12.917 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.176 -12.668 0.443 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.215 -10.581 -0.575 1.00 0.00 N ATOM 1170 CA GLU A 74 -14.077 -9.657 -1.299 1.00 0.00 C ATOM 1171 C GLU A 74 -13.260 -8.531 -1.905 1.00 0.00 C ATOM 1172 O GLU A 74 -13.494 -8.123 -3.043 1.00 0.00 O ATOM 1173 CB GLU A 74 -15.160 -9.092 -0.385 1.00 0.00 C ATOM 1174 CG GLU A 74 -16.255 -10.093 -0.074 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.876 -10.660 -1.334 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.382 -9.872 -2.159 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.844 -11.893 -1.517 1.00 0.00 O ATOM 0 H GLU A 74 -13.279 -10.512 0.441 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.563 -10.209 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.704 -8.760 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.602 -8.213 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.845 -10.905 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.027 -9.612 0.527 1.00 0.00 H new ATOM 1184 N LEU A 75 -12.290 -8.044 -1.148 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.392 -7.012 -1.642 1.00 0.00 C ATOM 1186 C LEU A 75 -10.533 -7.563 -2.776 1.00 0.00 C ATOM 1187 O LEU A 75 -10.161 -6.841 -3.701 1.00 0.00 O ATOM 1188 CB LEU A 75 -10.513 -6.476 -0.506 1.00 0.00 C ATOM 1189 CG LEU A 75 -11.278 -5.831 0.654 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -10.321 -5.389 1.748 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -12.095 -4.646 0.160 1.00 0.00 C ATOM 0 H LEU A 75 -12.104 -8.346 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.987 -6.185 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.912 -7.296 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.820 -5.742 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.958 -6.575 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.885 -4.934 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.774 -6.254 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.617 -4.662 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.632 -4.200 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.430 -3.904 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.810 -4.984 -0.590 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.238 -8.854 -2.706 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.469 -9.529 -3.739 1.00 0.00 C ATOM 1205 C ARG A 76 -10.153 -9.402 -5.095 1.00 0.00 C ATOM 1206 O ARG A 76 -9.566 -8.903 -6.050 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.301 -11.006 -3.394 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.463 -11.765 -4.405 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.504 -13.261 -4.170 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.279 -13.609 -2.765 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.007 -14.839 -2.332 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.870 -15.841 -3.190 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -7.851 -15.061 -1.034 1.00 0.00 N ATOM 0 H ARG A 76 -10.524 -9.459 -1.936 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.489 -9.054 -3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.839 -11.092 -2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.285 -11.470 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.823 -11.546 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.431 -11.418 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.471 -13.650 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.747 -13.745 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.334 -12.861 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.973 -15.673 -4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.662 -16.779 -2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.939 -14.291 -0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.643 -16.002 -0.699 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.410 -9.829 -5.167 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.145 -9.785 -6.424 1.00 0.00 C ATOM 1229 C LYS A 77 -12.511 -8.353 -6.783 1.00 0.00 C ATOM 1230 O LYS A 77 -12.743 -8.034 -7.947 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.402 -10.654 -6.362 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.282 -10.396 -5.150 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.542 -11.247 -5.192 1.00 0.00 C ATOM 1234 CE LYS A 77 -16.549 -10.721 -6.204 1.00 0.00 C ATOM 1235 NZ LYS A 77 -17.275 -9.529 -5.693 1.00 0.00 N ATOM 0 H LYS A 77 -11.935 -10.206 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.495 -10.185 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.989 -10.487 -7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.105 -11.703 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.724 -10.613 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.554 -9.341 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.278 -12.274 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.999 -11.268 -4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.034 -10.463 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.265 -11.506 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.987 -9.231 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.746 -9.767 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.601 -8.753 -5.534 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.545 -7.500 -5.772 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.843 -6.089 -5.964 1.00 0.00 C ATOM 1251 C LYS A 78 -11.759 -5.414 -6.805 1.00 0.00 C ATOM 1252 O LYS A 78 -12.052 -4.585 -7.670 1.00 0.00 O ATOM 1253 CB LYS A 78 -12.961 -5.386 -4.604 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.434 -3.943 -4.690 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.851 -3.861 -5.226 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.364 -2.431 -5.260 1.00 0.00 C ATOM 1257 NZ LYS A 78 -16.701 -2.347 -5.903 1.00 0.00 N ATOM 0 H LYS A 78 -12.368 -7.763 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.792 -6.009 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.653 -5.947 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.990 -5.410 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.389 -3.483 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.764 -3.376 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.884 -4.282 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.510 -4.468 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.423 -2.040 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.658 -1.803 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.021 -1.358 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.639 -2.697 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.380 -2.927 -5.370 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.508 -5.780 -6.553 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.379 -5.154 -7.232 1.00 0.00 C ATOM 1273 C TYR A 79 -8.782 -6.080 -8.295 1.00 0.00 C ATOM 1274 O TYR A 79 -7.995 -5.643 -9.136 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.329 -4.727 -6.207 1.00 0.00 C ATOM 1276 CG TYR A 79 -8.824 -3.642 -5.270 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.619 -3.947 -4.169 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -8.516 -2.310 -5.502 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.080 -2.957 -3.326 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -8.977 -1.314 -4.662 1.00 0.00 C ATOM 1281 CZ TYR A 79 -9.761 -1.643 -3.577 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.228 -0.656 -2.740 1.00 0.00 O ATOM 0 H TYR A 79 -10.249 -6.506 -5.885 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.736 -4.265 -7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.026 -5.595 -5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.442 -4.371 -6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.879 -4.976 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.906 -2.047 -6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.689 -3.213 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.724 -0.282 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.912 0.217 -3.055 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.143 -7.358 -8.242 1.00 0.00 N ATOM 1293 CA GLY A 80 -8.812 -8.263 -9.328 1.00 0.00 C ATOM 1294 C GLY A 80 -7.819 -9.346 -8.949 1.00 0.00 C ATOM 1295 O GLY A 80 -8.064 -10.523 -9.198 1.00 0.00 O ATOM 0 H GLY A 80 -9.657 -7.782 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.727 -8.733 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.404 -7.685 -10.157 1.00 0.00 H new ATOM 1299 N VAL A 81 -6.724 -8.939 -8.319 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.574 -9.808 -8.064 1.00 0.00 C ATOM 1301 C VAL A 81 -5.047 -10.483 -9.334 1.00 0.00 C ATOM 1302 O VAL A 81 -5.628 -11.437 -9.857 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.870 -10.860 -6.975 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -4.782 -11.929 -6.922 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -5.992 -10.175 -5.626 1.00 0.00 C ATOM 0 H VAL A 81 -6.605 -7.989 -7.966 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.787 -9.151 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.810 -11.353 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.022 -12.654 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.723 -12.436 -7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.823 -11.461 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.201 -10.919 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.058 -9.664 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.804 -9.449 -5.659 1.00 0.00 H new ATOM 1315 N HIS A 82 -3.943 -9.956 -9.832 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.211 -10.577 -10.922 1.00 0.00 C ATOM 1317 C HIS A 82 -1.790 -10.868 -10.467 1.00 0.00 C ATOM 1318 O HIS A 82 -1.236 -11.926 -10.758 1.00 0.00 O ATOM 1319 CB HIS A 82 -3.192 -9.683 -12.165 1.00 0.00 C ATOM 1320 CG HIS A 82 -4.495 -9.638 -12.899 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -4.776 -10.434 -13.989 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -5.596 -8.877 -12.702 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -5.990 -10.167 -14.428 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -6.511 -9.226 -13.663 1.00 0.00 N ATOM 0 H HIS A 82 -3.529 -9.087 -9.493 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.713 -11.506 -11.192 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.918 -8.671 -11.868 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.416 -10.037 -12.844 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.730 -8.133 -11.931 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.475 -10.638 -15.270 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.442 -8.824 -13.769 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.217 -9.924 -9.735 1.00 0.00 N ATOM 1334 CA ALA A 83 0.122 -10.078 -9.190 1.00 0.00 C ATOM 1335 C ALA A 83 0.050 -10.592 -7.753 1.00 0.00 C ATOM 1336 O ALA A 83 -1.003 -11.049 -7.306 1.00 0.00 O ATOM 1337 CB ALA A 83 0.860 -8.749 -9.246 1.00 0.00 C ATOM 0 H ALA A 83 -1.664 -9.037 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 83 0.669 -10.806 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.862 -8.872 -8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.930 -8.415 -10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.317 -8.007 -8.661 1.00 0.00 H new ATOM 1343 N TYR A 84 1.167 -10.539 -7.042 1.00 0.00 N ATOM 1344 CA TYR A 84 1.191 -10.928 -5.633 1.00 0.00 C ATOM 1345 C TYR A 84 1.117 -9.701 -4.719 1.00 0.00 C ATOM 1346 O TYR A 84 0.291 -9.661 -3.807 1.00 0.00 O ATOM 1347 CB TYR A 84 2.437 -11.753 -5.307 1.00 0.00 C ATOM 1348 CG TYR A 84 2.546 -13.032 -6.105 1.00 0.00 C ATOM 1349 CD1 TYR A 84 1.664 -14.083 -5.890 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.532 -13.189 -7.070 1.00 0.00 C ATOM 1351 CE1 TYR A 84 1.763 -15.255 -6.613 1.00 0.00 C ATOM 1352 CE2 TYR A 84 3.635 -14.356 -7.799 1.00 0.00 C ATOM 1353 CZ TYR A 84 2.749 -15.385 -7.566 1.00 0.00 C ATOM 1354 OH TYR A 84 2.858 -16.553 -8.285 1.00 0.00 O ATOM 0 H TYR A 84 2.067 -10.232 -7.412 1.00 0.00 H new ATOM 0 HA TYR A 84 0.312 -11.547 -5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.323 -11.145 -5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.432 -11.997 -4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.888 -13.982 -5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.229 -12.385 -7.253 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.072 -16.065 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.406 -14.462 -8.548 1.00 0.00 H new ATOM 0 HH TYR A 84 3.604 -16.480 -8.916 1.00 0.00 H new ATOM 1364 N PRO A 85 1.997 -8.694 -4.913 1.00 0.00 N ATOM 1365 CA PRO A 85 1.935 -7.455 -4.163 1.00 0.00 C ATOM 1366 C PRO A 85 1.119 -6.384 -4.887 1.00 0.00 C ATOM 1367 O PRO A 85 1.158 -6.283 -6.117 1.00 0.00 O ATOM 1368 CB PRO A 85 3.409 -7.035 -4.061 1.00 0.00 C ATOM 1369 CG PRO A 85 4.156 -7.858 -5.073 1.00 0.00 C ATOM 1370 CD PRO A 85 3.142 -8.674 -5.829 1.00 0.00 C ATOM 0 HA PRO A 85 1.445 -7.580 -3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.524 -5.970 -4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.794 -7.211 -3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.715 -7.215 -5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.880 -8.507 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.887 -8.218 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.508 -9.678 -6.042 1.00 0.00 H new ATOM 1378 N THR A 86 0.367 -5.601 -4.134 1.00 0.00 N ATOM 1379 CA THR A 86 -0.428 -4.532 -4.711 1.00 0.00 C ATOM 1380 C THR A 86 -0.531 -3.352 -3.751 1.00 0.00 C ATOM 1381 O THR A 86 -0.941 -3.505 -2.601 1.00 0.00 O ATOM 1382 CB THR A 86 -1.838 -5.030 -5.079 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.731 -6.161 -5.952 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.650 -3.939 -5.762 1.00 0.00 C ATOM 0 H THR A 86 0.290 -5.686 -3.120 1.00 0.00 H new ATOM 0 HA THR A 86 0.075 -4.202 -5.620 1.00 0.00 H new ATOM 0 HB THR A 86 -2.351 -5.312 -4.159 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.628 -6.480 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.640 -4.323 -6.009 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.748 -3.085 -5.092 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.144 -3.627 -6.675 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.144 -2.182 -4.231 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.194 -0.967 -3.439 1.00 0.00 C ATOM 1394 C LEU A 87 -1.411 -0.146 -3.845 1.00 0.00 C ATOM 1395 O LEU A 87 -1.543 0.252 -5.004 1.00 0.00 O ATOM 1396 CB LEU A 87 1.087 -0.139 -3.623 1.00 0.00 C ATOM 1397 CG LEU A 87 2.399 -0.811 -3.188 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.229 -1.503 -1.844 1.00 0.00 C ATOM 1399 CD2 LEU A 87 2.894 -1.791 -4.245 1.00 0.00 C ATOM 0 H LEU A 87 0.212 -2.049 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.272 -1.239 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.173 0.130 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.977 0.791 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 87 3.154 -0.032 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.169 -1.972 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.943 -0.769 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.453 -2.264 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.824 -2.250 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.143 -2.565 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.070 -1.259 -5.180 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.302 0.091 -2.899 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.547 0.783 -3.192 1.00 0.00 C ATOM 1413 C LEU A 88 -3.540 2.203 -2.643 1.00 0.00 C ATOM 1414 O LEU A 88 -3.200 2.435 -1.481 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.735 0.013 -2.615 1.00 0.00 C ATOM 1416 CG LEU A 88 -4.941 -1.391 -3.183 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.151 -2.052 -2.542 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.104 -1.334 -4.693 1.00 0.00 C ATOM 0 H LEU A 88 -2.188 -0.184 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.644 0.837 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.607 -0.065 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.641 0.593 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.059 -1.989 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.283 -3.051 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.998 -2.125 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.041 -1.455 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.250 -2.342 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.969 -0.720 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.210 -0.899 -5.139 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.911 3.147 -3.493 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.042 4.538 -3.091 1.00 0.00 C ATOM 1432 C PHE A 89 -5.516 4.923 -3.056 1.00 0.00 C ATOM 1433 O PHE A 89 -6.175 4.987 -4.096 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.277 5.452 -4.052 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.806 5.151 -4.125 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.915 5.770 -3.263 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.316 4.247 -5.054 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.436 5.495 -3.328 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.034 3.967 -5.124 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.910 4.590 -4.259 1.00 0.00 C ATOM 0 H PHE A 89 -4.128 2.973 -4.474 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.615 4.659 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.708 5.360 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.413 6.488 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.282 6.476 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.999 3.756 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.121 5.986 -2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.404 3.262 -5.854 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.966 4.370 -4.309 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.033 5.151 -1.860 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.447 5.447 -1.679 1.00 0.00 C ATOM 1452 C ILE A 90 -7.643 6.888 -1.208 1.00 0.00 C ATOM 1453 O ILE A 90 -6.888 7.384 -0.372 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.085 4.479 -0.651 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -7.804 3.020 -1.030 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.586 4.715 -0.539 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.388 2.604 -2.365 1.00 0.00 C ATOM 0 H ILE A 90 -5.493 5.137 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.938 5.317 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.632 4.678 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.726 2.863 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.205 2.370 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.010 4.023 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.770 5.740 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.053 4.552 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.145 1.559 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.471 2.726 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.969 3.227 -3.155 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.644 7.566 -1.762 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.998 8.907 -1.309 1.00 0.00 C ATOM 1471 C ASN A 91 -9.723 8.822 0.023 1.00 0.00 C ATOM 1472 O ASN A 91 -10.257 7.772 0.380 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.915 9.633 -2.304 1.00 0.00 C ATOM 1474 CG ASN A 91 -9.326 9.783 -3.694 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -8.592 10.730 -3.970 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -9.667 8.868 -4.588 1.00 0.00 N ATOM 0 H ASN A 91 -9.223 7.210 -2.523 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.068 9.468 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.857 9.089 -2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.148 10.623 -1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.318 8.934 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.278 8.097 -4.321 1.00 0.00 H new ATOM 1483 N SER A 92 -9.780 9.936 0.734 1.00 0.00 N ATOM 1484 CA SER A 92 -10.481 9.999 2.010 1.00 0.00 C ATOM 1485 C SER A 92 -11.992 9.884 1.803 1.00 0.00 C ATOM 1486 O SER A 92 -12.739 9.587 2.732 1.00 0.00 O ATOM 1487 CB SER A 92 -10.133 11.306 2.718 1.00 0.00 C ATOM 1488 OG SER A 92 -10.107 12.382 1.793 1.00 0.00 O ATOM 0 H SER A 92 -9.347 10.815 0.449 1.00 0.00 H new ATOM 0 HA SER A 92 -10.164 9.161 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.865 11.509 3.500 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.163 11.215 3.206 1.00 0.00 H new ATOM 0 HG SER A 92 -9.884 13.212 2.263 1.00 0.00 H new ATOM 1494 N SER A 93 -12.424 10.103 0.566 1.00 0.00 N ATOM 1495 CA SER A 93 -13.832 10.007 0.205 1.00 0.00 C ATOM 1496 C SER A 93 -14.260 8.551 0.014 1.00 0.00 C ATOM 1497 O SER A 93 -15.449 8.254 -0.119 1.00 0.00 O ATOM 1498 CB SER A 93 -14.076 10.793 -1.081 1.00 0.00 C ATOM 1499 OG SER A 93 -13.508 12.088 -0.989 1.00 0.00 O ATOM 0 H SER A 93 -11.811 10.351 -0.211 1.00 0.00 H new ATOM 0 HA SER A 93 -14.427 10.426 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.643 10.259 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.147 10.872 -1.268 1.00 0.00 H new ATOM 0 HG SER A 93 -13.672 12.577 -1.822 1.00 0.00 H new ATOM 1505 N GLY A 94 -13.285 7.646 0.010 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.576 6.240 -0.207 1.00 0.00 C ATOM 1507 C GLY A 94 -13.645 5.885 -1.679 1.00 0.00 C ATOM 1508 O GLY A 94 -14.633 5.320 -2.146 1.00 0.00 O ATOM 0 H GLY A 94 -12.298 7.862 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.808 5.634 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.524 5.990 0.269 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.588 6.221 -2.407 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.519 5.962 -3.841 1.00 0.00 C ATOM 1514 C GLU A 95 -11.062 5.739 -4.230 1.00 0.00 C ATOM 1515 O GLU A 95 -10.163 6.229 -3.549 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.117 7.148 -4.606 1.00 0.00 C ATOM 1517 CG GLU A 95 -13.950 6.761 -5.820 1.00 0.00 C ATOM 1518 CD GLU A 95 -13.127 6.190 -6.953 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -12.605 6.981 -7.762 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -12.998 4.949 -7.037 1.00 0.00 O ATOM 0 H GLU A 95 -11.760 6.677 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.093 5.071 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.739 7.727 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.307 7.801 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.699 6.029 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.488 7.639 -6.178 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.820 5.010 -5.306 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.458 4.659 -5.683 1.00 0.00 C ATOM 1529 C VAL A 96 -8.813 5.757 -6.528 1.00 0.00 C ATOM 1530 O VAL A 96 -9.449 6.342 -7.409 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.395 3.312 -6.445 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -9.930 2.182 -5.580 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.158 3.385 -7.757 1.00 0.00 C ATOM 0 H VAL A 96 -11.542 4.651 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.899 4.553 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.349 3.108 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.877 1.244 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.330 2.103 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.966 2.388 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.095 2.424 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.203 3.622 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.724 4.161 -8.388 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.557 6.054 -6.224 1.00 0.00 N ATOM 1544 CA VAL A 97 -6.786 7.004 -7.009 1.00 0.00 C ATOM 1545 C VAL A 97 -6.072 6.268 -8.131 1.00 0.00 C ATOM 1546 O VAL A 97 -6.279 6.548 -9.317 1.00 0.00 O ATOM 1547 CB VAL A 97 -5.729 7.737 -6.152 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.035 8.820 -6.962 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -6.356 8.324 -4.899 1.00 0.00 C ATOM 0 H VAL A 97 -7.051 5.649 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.481 7.744 -7.406 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.980 7.007 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.295 9.323 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.539 8.370 -7.822 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.772 9.545 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.591 8.834 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.133 9.036 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.795 7.524 -4.303 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.250 5.307 -7.733 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.471 4.507 -8.659 1.00 0.00 C ATOM 1561 C TYR A 98 -4.129 3.169 -8.014 1.00 0.00 C ATOM 1562 O TYR A 98 -3.863 3.103 -6.813 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.194 5.261 -9.048 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.213 4.447 -9.866 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.524 4.036 -11.155 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -0.979 4.088 -9.343 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.629 3.289 -11.901 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.080 3.344 -10.080 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.408 2.947 -11.359 1.00 0.00 C ATOM 1570 OH TYR A 98 0.488 2.200 -12.095 1.00 0.00 O ATOM 0 H TYR A 98 -5.106 5.062 -6.753 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.053 4.322 -9.562 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.470 6.151 -9.614 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.697 5.602 -8.140 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.479 4.303 -11.582 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.717 4.396 -8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.885 2.976 -12.902 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.876 3.074 -9.657 1.00 0.00 H new ATOM 0 HH TYR A 98 1.299 2.048 -11.566 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.168 2.106 -8.804 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.814 0.786 -8.317 1.00 0.00 C ATOM 1582 C ARG A 99 -2.419 0.419 -8.806 1.00 0.00 C ATOM 1583 O ARG A 99 -2.199 0.253 -10.006 1.00 0.00 O ATOM 1584 CB ARG A 99 -4.838 -0.240 -8.808 1.00 0.00 C ATOM 1585 CG ARG A 99 -4.557 -1.662 -8.359 1.00 0.00 C ATOM 1586 CD ARG A 99 -5.558 -2.635 -8.957 1.00 0.00 C ATOM 1587 NE ARG A 99 -5.491 -2.660 -10.417 1.00 0.00 N ATOM 1588 CZ ARG A 99 -6.558 -2.656 -11.218 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.780 -2.589 -10.706 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -6.391 -2.693 -12.533 1.00 0.00 N ATOM 0 H ARG A 99 -4.442 2.135 -9.786 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.817 0.788 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.827 0.052 -8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.868 -0.214 -9.897 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.547 -1.947 -8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.597 -1.717 -7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.368 -3.635 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.565 -2.357 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.569 -2.682 -10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.907 -2.540 -9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.592 -2.586 -11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.451 -2.724 -12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.203 -2.690 -13.150 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.480 0.301 -7.883 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.111 -0.028 -8.239 1.00 0.00 C ATOM 1606 C LEU A 100 0.153 -1.508 -8.006 1.00 0.00 C ATOM 1607 O LEU A 100 0.241 -1.962 -6.868 1.00 0.00 O ATOM 1608 CB LEU A 100 0.872 0.822 -7.427 1.00 0.00 C ATOM 1609 CG LEU A 100 2.349 0.612 -7.765 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.608 0.927 -9.228 1.00 0.00 C ATOM 1611 CD2 LEU A 100 3.228 1.473 -6.873 1.00 0.00 C ATOM 0 H LEU A 100 -1.640 0.428 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 100 0.034 0.190 -9.297 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.628 1.874 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.724 0.608 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 100 2.598 -0.434 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.663 0.773 -9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.004 0.270 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.342 1.965 -9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.275 1.310 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.978 2.524 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.062 1.204 -5.830 1.00 0.00 H new ATOM 1623 N VAL A 101 0.261 -2.261 -9.086 1.00 0.00 N ATOM 1624 CA VAL A 101 0.518 -3.685 -8.986 1.00 0.00 C ATOM 1625 C VAL A 101 1.996 -3.975 -9.187 1.00 0.00 C ATOM 1626 O VAL A 101 2.674 -3.297 -9.965 1.00 0.00 O ATOM 1627 CB VAL A 101 -0.319 -4.495 -9.999 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -1.801 -4.379 -9.676 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -0.046 -4.035 -11.422 1.00 0.00 C ATOM 0 H VAL A 101 0.175 -1.911 -10.040 1.00 0.00 H new ATOM 0 HA VAL A 101 0.222 -3.996 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.026 -5.542 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.377 -4.956 -10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.986 -4.765 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.103 -3.333 -9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.648 -4.622 -12.116 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.304 -2.981 -11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.010 -4.173 -11.653 1.00 0.00 H new ATOM 1639 N GLY A 102 2.494 -4.964 -8.464 1.00 0.00 N ATOM 1640 CA GLY A 102 3.895 -5.308 -8.555 1.00 0.00 C ATOM 1641 C GLY A 102 4.733 -4.518 -7.573 1.00 0.00 C ATOM 1642 O GLY A 102 4.435 -3.358 -7.286 1.00 0.00 O ATOM 0 H GLY A 102 1.952 -5.535 -7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.021 -6.374 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.250 -5.121 -9.568 1.00 0.00 H new ATOM 1646 N ALA A 103 5.779 -5.138 -7.055 1.00 0.00 N ATOM 1647 CA ALA A 103 6.637 -4.485 -6.084 1.00 0.00 C ATOM 1648 C ALA A 103 8.042 -4.335 -6.637 1.00 0.00 C ATOM 1649 O ALA A 103 8.732 -5.324 -6.890 1.00 0.00 O ATOM 1650 CB ALA A 103 6.659 -5.260 -4.778 1.00 0.00 C ATOM 0 H ALA A 103 6.054 -6.092 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 103 6.235 -3.492 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.308 -4.753 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.649 -5.318 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.035 -6.267 -4.959 1.00 0.00 H new ATOM 1656 N GLU A 104 8.447 -3.095 -6.827 1.00 0.00 N ATOM 1657 CA GLU A 104 9.752 -2.785 -7.383 1.00 0.00 C ATOM 1658 C GLU A 104 10.721 -2.430 -6.257 1.00 0.00 C ATOM 1659 O GLU A 104 10.320 -2.347 -5.094 1.00 0.00 O ATOM 1660 CB GLU A 104 9.632 -1.608 -8.349 1.00 0.00 C ATOM 1661 CG GLU A 104 8.454 -1.707 -9.311 1.00 0.00 C ATOM 1662 CD GLU A 104 8.557 -2.872 -10.274 1.00 0.00 C ATOM 1663 OE1 GLU A 104 9.474 -2.869 -11.123 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.710 -3.786 -10.202 1.00 0.00 O ATOM 0 H GLU A 104 7.884 -2.275 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 104 10.130 -3.655 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.540 -0.687 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.553 -1.531 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.533 -1.801 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.381 -0.780 -9.880 1.00 0.00 H new ATOM 1671 N ASP A 105 11.987 -2.214 -6.601 1.00 0.00 N ATOM 1672 CA ASP A 105 12.975 -1.764 -5.621 1.00 0.00 C ATOM 1673 C ASP A 105 12.739 -0.295 -5.284 1.00 0.00 C ATOM 1674 O ASP A 105 11.911 0.354 -5.918 1.00 0.00 O ATOM 1675 CB ASP A 105 14.404 -1.973 -6.139 1.00 0.00 C ATOM 1676 CG ASP A 105 14.766 -3.440 -6.288 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.501 -4.012 -7.365 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.329 -4.024 -5.333 1.00 0.00 O ATOM 0 H ASP A 105 12.353 -2.342 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 105 12.859 -2.361 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.512 -1.477 -7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 105 15.107 -1.497 -5.455 1.00 0.00 H new ATOM 1683 N ALA A 106 13.479 0.232 -4.313 1.00 0.00 N ATOM 1684 CA ALA A 106 13.213 1.573 -3.779 1.00 0.00 C ATOM 1685 C ALA A 106 13.128 2.661 -4.869 1.00 0.00 C ATOM 1686 O ALA A 106 12.117 3.362 -4.943 1.00 0.00 O ATOM 1687 CB ALA A 106 14.240 1.944 -2.716 1.00 0.00 C ATOM 0 H ALA A 106 14.268 -0.245 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 106 12.226 1.530 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.024 2.942 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 106 14.194 1.224 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.238 1.932 -3.154 1.00 0.00 H new ATOM 1693 N PRO A 107 14.158 2.827 -5.735 1.00 0.00 N ATOM 1694 CA PRO A 107 14.141 3.876 -6.768 1.00 0.00 C ATOM 1695 C PRO A 107 13.019 3.676 -7.785 1.00 0.00 C ATOM 1696 O PRO A 107 12.332 4.623 -8.169 1.00 0.00 O ATOM 1697 CB PRO A 107 15.508 3.748 -7.455 1.00 0.00 C ATOM 1698 CG PRO A 107 16.343 2.935 -6.527 1.00 0.00 C ATOM 1699 CD PRO A 107 15.393 2.026 -5.805 1.00 0.00 C ATOM 0 HA PRO A 107 13.963 4.859 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.415 3.263 -8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.954 4.727 -7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 107 17.091 2.362 -7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.881 3.573 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.238 1.092 -6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.761 1.763 -4.813 1.00 0.00 H new ATOM 1707 N GLU A 108 12.834 2.430 -8.204 1.00 0.00 N ATOM 1708 CA GLU A 108 11.838 2.088 -9.207 1.00 0.00 C ATOM 1709 C GLU A 108 10.425 2.253 -8.644 1.00 0.00 C ATOM 1710 O GLU A 108 9.526 2.732 -9.335 1.00 0.00 O ATOM 1711 CB GLU A 108 12.072 0.652 -9.683 1.00 0.00 C ATOM 1712 CG GLU A 108 11.159 0.206 -10.814 1.00 0.00 C ATOM 1713 CD GLU A 108 11.370 0.974 -12.104 1.00 0.00 C ATOM 1714 OE1 GLU A 108 12.482 1.504 -12.321 1.00 0.00 O ATOM 1715 OE2 GLU A 108 10.429 1.025 -12.922 1.00 0.00 O ATOM 0 H GLU A 108 13.368 1.633 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 108 11.936 2.765 -10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.108 0.555 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.939 -0.024 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.320 -0.855 -11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.122 0.320 -10.499 1.00 0.00 H new ATOM 1722 N LEU A 109 10.239 1.863 -7.385 1.00 0.00 N ATOM 1723 CA LEU A 109 8.957 2.023 -6.703 1.00 0.00 C ATOM 1724 C LEU A 109 8.571 3.492 -6.656 1.00 0.00 C ATOM 1725 O LEU A 109 7.437 3.862 -6.966 1.00 0.00 O ATOM 1726 CB LEU A 109 9.042 1.478 -5.277 1.00 0.00 C ATOM 1727 CG LEU A 109 7.723 1.451 -4.498 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.719 0.508 -5.149 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.971 1.056 -3.051 1.00 0.00 C ATOM 0 H LEU A 109 10.965 1.431 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 109 8.201 1.466 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.440 0.464 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.760 2.080 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 109 7.298 2.454 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.793 0.510 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.515 0.840 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.130 -0.501 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.025 1.041 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.424 0.065 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.643 1.778 -2.587 1.00 0.00 H new ATOM 1741 N LEU A 110 9.534 4.315 -6.263 1.00 0.00 N ATOM 1742 CA LEU A 110 9.341 5.761 -6.210 1.00 0.00 C ATOM 1743 C LEU A 110 8.947 6.312 -7.578 1.00 0.00 C ATOM 1744 O LEU A 110 8.155 7.248 -7.675 1.00 0.00 O ATOM 1745 CB LEU A 110 10.606 6.457 -5.705 1.00 0.00 C ATOM 1746 CG LEU A 110 10.953 6.198 -4.239 1.00 0.00 C ATOM 1747 CD1 LEU A 110 12.250 6.897 -3.869 1.00 0.00 C ATOM 1748 CD2 LEU A 110 9.824 6.667 -3.335 1.00 0.00 C ATOM 0 H LEU A 110 10.462 4.005 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 110 8.529 5.963 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.447 6.139 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.492 7.531 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 110 11.085 5.125 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.482 6.702 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.058 6.520 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 110 12.141 7.971 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.087 6.475 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.664 7.736 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.911 6.127 -3.584 1.00 0.00 H new ATOM 1760 N LYS A 111 9.489 5.727 -8.634 1.00 0.00 N ATOM 1761 CA LYS A 111 9.120 6.119 -9.986 1.00 0.00 C ATOM 1762 C LYS A 111 7.665 5.747 -10.262 1.00 0.00 C ATOM 1763 O LYS A 111 6.883 6.559 -10.757 1.00 0.00 O ATOM 1764 CB LYS A 111 10.025 5.438 -11.013 1.00 0.00 C ATOM 1765 CG LYS A 111 9.690 5.813 -12.446 1.00 0.00 C ATOM 1766 CD LYS A 111 10.362 4.886 -13.439 1.00 0.00 C ATOM 1767 CE LYS A 111 9.988 5.247 -14.868 1.00 0.00 C ATOM 1768 NZ LYS A 111 10.516 4.260 -15.846 1.00 0.00 N ATOM 0 H LYS A 111 10.183 4.982 -8.582 1.00 0.00 H new ATOM 0 HA LYS A 111 9.241 7.199 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.062 5.704 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.945 4.357 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 111 8.610 5.778 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.003 6.839 -12.636 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.444 4.942 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.071 3.856 -13.233 1.00 0.00 H new ATOM 0 HE2 LYS A 111 8.903 5.301 -14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.377 6.237 -15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 10.239 4.542 -16.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.553 4.227 -15.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 10.125 3.319 -15.635 1.00 0.00 H new ATOM 1782 N LYS A 112 7.309 4.515 -9.912 1.00 0.00 N ATOM 1783 CA LYS A 112 5.978 3.983 -10.181 1.00 0.00 C ATOM 1784 C LYS A 112 4.895 4.761 -9.434 1.00 0.00 C ATOM 1785 O LYS A 112 3.804 4.973 -9.966 1.00 0.00 O ATOM 1786 CB LYS A 112 5.918 2.494 -9.817 1.00 0.00 C ATOM 1787 CG LYS A 112 6.893 1.637 -10.616 1.00 0.00 C ATOM 1788 CD LYS A 112 6.744 1.849 -12.119 1.00 0.00 C ATOM 1789 CE LYS A 112 5.422 1.312 -12.644 1.00 0.00 C ATOM 1790 NZ LYS A 112 5.319 -0.165 -12.490 1.00 0.00 N ATOM 0 H LYS A 112 7.931 3.861 -9.437 1.00 0.00 H new ATOM 0 HA LYS A 112 5.785 4.096 -11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.130 2.378 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.905 2.128 -9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.914 1.875 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.728 0.586 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.817 2.913 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.567 1.356 -12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.600 1.790 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.316 1.575 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.537 -0.521 -13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.209 -0.609 -12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.138 -0.398 -11.493 1.00 0.00 H new ATOM 1804 N VAL A 113 5.197 5.189 -8.211 1.00 0.00 N ATOM 1805 CA VAL A 113 4.240 5.966 -7.430 1.00 0.00 C ATOM 1806 C VAL A 113 4.119 7.395 -7.970 1.00 0.00 C ATOM 1807 O VAL A 113 3.016 7.939 -8.058 1.00 0.00 O ATOM 1808 CB VAL A 113 4.587 5.987 -5.915 1.00 0.00 C ATOM 1809 CG1 VAL A 113 5.962 6.585 -5.656 1.00 0.00 C ATOM 1810 CG2 VAL A 113 3.523 6.744 -5.131 1.00 0.00 C ATOM 0 H VAL A 113 6.087 5.013 -7.744 1.00 0.00 H new ATOM 0 HA VAL A 113 3.276 5.468 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 113 4.608 4.952 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 113 6.165 6.581 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.719 5.993 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.989 7.610 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.784 6.747 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.465 7.770 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.557 6.257 -5.265 1.00 0.00 H new ATOM 1820 N LYS A 114 5.247 7.986 -8.363 1.00 0.00 N ATOM 1821 CA LYS A 114 5.250 9.350 -8.890 1.00 0.00 C ATOM 1822 C LYS A 114 4.489 9.428 -10.206 1.00 0.00 C ATOM 1823 O LYS A 114 3.537 10.196 -10.333 1.00 0.00 O ATOM 1824 CB LYS A 114 6.680 9.860 -9.092 1.00 0.00 C ATOM 1825 CG LYS A 114 7.388 10.259 -7.806 1.00 0.00 C ATOM 1826 CD LYS A 114 8.786 10.781 -8.093 1.00 0.00 C ATOM 1827 CE LYS A 114 9.454 11.307 -6.835 1.00 0.00 C ATOM 1828 NZ LYS A 114 10.810 11.851 -7.116 1.00 0.00 N ATOM 0 H LYS A 114 6.166 7.544 -8.327 1.00 0.00 H new ATOM 0 HA LYS A 114 4.752 9.983 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.263 9.085 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.656 10.720 -9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.809 11.025 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.447 9.400 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.392 9.983 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.733 11.576 -8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.834 12.087 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 114 9.529 10.505 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.234 12.200 -6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.409 11.100 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.736 12.633 -7.797 1.00 0.00 H new ATOM 1842 N LEU A 115 4.886 8.604 -11.169 1.00 0.00 N ATOM 1843 CA LEU A 115 4.282 8.629 -12.500 1.00 0.00 C ATOM 1844 C LEU A 115 2.851 8.088 -12.476 1.00 0.00 C ATOM 1845 O LEU A 115 2.126 8.183 -13.469 1.00 0.00 O ATOM 1846 CB LEU A 115 5.128 7.823 -13.498 1.00 0.00 C ATOM 1847 CG LEU A 115 6.355 8.542 -14.080 1.00 0.00 C ATOM 1848 CD1 LEU A 115 5.940 9.827 -14.774 1.00 0.00 C ATOM 1849 CD2 LEU A 115 7.395 8.828 -13.005 1.00 0.00 C ATOM 0 H LEU A 115 5.624 7.909 -11.055 1.00 0.00 H new ATOM 0 HA LEU A 115 4.249 9.670 -12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.466 6.912 -13.004 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.486 7.518 -14.324 1.00 0.00 H new ATOM 0 HG LEU A 115 6.811 7.879 -14.815 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.822 10.323 -15.180 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.248 9.596 -15.584 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.451 10.486 -14.057 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.249 9.337 -13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.957 9.462 -12.234 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.724 7.890 -12.559 1.00 0.00 H new ATOM 1861 N GLY A 116 2.453 7.518 -11.344 1.00 0.00 N ATOM 1862 CA GLY A 116 1.105 7.000 -11.208 1.00 0.00 C ATOM 1863 C GLY A 116 0.099 8.091 -10.895 1.00 0.00 C ATOM 1864 O GLY A 116 -1.077 7.977 -11.245 1.00 0.00 O ATOM 0 H GLY A 116 3.040 7.406 -10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.817 6.497 -12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.084 6.251 -10.416 1.00 0.00 H new ATOM 1868 N VAL A 117 0.559 9.152 -10.241 1.00 0.00 N ATOM 1869 CA VAL A 117 -0.315 10.263 -9.873 1.00 0.00 C ATOM 1870 C VAL A 117 0.094 11.535 -10.606 1.00 0.00 C ATOM 1871 O VAL A 117 -0.726 12.170 -11.267 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.284 10.528 -8.354 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.285 11.607 -7.972 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.555 9.248 -7.585 1.00 0.00 C ATOM 0 H VAL A 117 1.531 9.267 -9.954 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.328 9.982 -10.161 1.00 0.00 H new ATOM 0 HB VAL A 117 0.712 10.883 -8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.245 11.776 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.040 12.532 -8.494 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.289 11.287 -8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.529 9.454 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.537 8.861 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.207 8.508 -7.830 1.00 0.00 H new ATOM 1884 N GLU A 118 1.377 11.875 -10.486 1.00 0.00 N ATOM 1885 CA GLU A 118 1.962 13.047 -11.132 1.00 0.00 C ATOM 1886 C GLU A 118 1.414 14.362 -10.571 1.00 0.00 C ATOM 1887 O GLU A 118 0.222 14.664 -10.681 1.00 0.00 O ATOM 1888 CB GLU A 118 1.776 12.984 -12.645 1.00 0.00 C ATOM 1889 CG GLU A 118 2.498 14.093 -13.385 1.00 0.00 C ATOM 1890 CD GLU A 118 3.943 14.247 -12.950 1.00 0.00 C ATOM 1891 OE1 GLU A 118 4.797 13.467 -13.423 1.00 0.00 O ATOM 1892 OE2 GLU A 118 4.230 15.146 -12.127 1.00 0.00 O ATOM 0 H GLU A 118 2.045 11.339 -9.932 1.00 0.00 H new ATOM 0 HA GLU A 118 3.029 13.029 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.135 12.021 -13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.712 13.036 -12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.465 13.890 -14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.972 15.034 -13.223 1.00 0.00 H new ATOM 1899 N SER A 119 2.316 15.133 -9.967 1.00 0.00 N ATOM 1900 CA SER A 119 2.008 16.460 -9.451 1.00 0.00 C ATOM 1901 C SER A 119 0.986 16.394 -8.316 1.00 0.00 C ATOM 1902 O SER A 119 -0.225 16.528 -8.526 1.00 0.00 O ATOM 1903 CB SER A 119 1.529 17.368 -10.588 1.00 0.00 C ATOM 1904 OG SER A 119 2.468 17.367 -11.654 1.00 0.00 O ATOM 0 H SER A 119 3.285 14.851 -9.822 1.00 0.00 H new ATOM 0 HA SER A 119 2.919 16.888 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.559 17.027 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.392 18.384 -10.217 1.00 0.00 H new ATOM 0 HG SER A 119 2.972 16.527 -11.645 1.00 0.00 H new ATOM 1910 N GLU A 120 1.488 16.158 -7.112 1.00 0.00 N ATOM 1911 CA GLU A 120 0.644 16.093 -5.925 1.00 0.00 C ATOM 1912 C GLU A 120 0.343 17.495 -5.404 1.00 0.00 C ATOM 1913 O GLU A 120 -0.538 17.682 -4.565 1.00 0.00 O ATOM 1914 CB GLU A 120 1.329 15.266 -4.836 1.00 0.00 C ATOM 1915 CG GLU A 120 2.628 15.876 -4.334 1.00 0.00 C ATOM 1916 CD GLU A 120 3.315 15.018 -3.294 1.00 0.00 C ATOM 1917 OE1 GLU A 120 2.680 14.687 -2.273 1.00 0.00 O ATOM 1918 OE2 GLU A 120 4.503 14.680 -3.485 1.00 0.00 O ATOM 0 H GLU A 120 2.480 16.008 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.297 15.614 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.644 15.149 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.532 14.268 -5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.303 16.027 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.423 16.859 -3.910 1.00 0.00 H new ATOM 1925 N GLY A 121 1.085 18.469 -5.908 1.00 0.00 N ATOM 1926 CA GLY A 121 0.921 19.838 -5.478 1.00 0.00 C ATOM 1927 C GLY A 121 1.581 20.799 -6.443 1.00 0.00 C ATOM 1928 O GLY A 121 2.144 21.813 -5.992 1.00 0.00 O ATOM 0 H GLY A 121 1.806 18.331 -6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -0.141 20.072 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.351 19.964 -4.484 1.00 0.00 H new TER 1932 GLY A 121