USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 ASP H : A 39 ASP N : A 301 CACA :(H bumps) USER MOD Set 1.1: A 44 CYS SG : rot -121:sc= -0.319! USER MOD Set 1.2: A 71 ASN : amide:sc= -5.64! C(o=-6!,f=-9.2!) USER MOD Single : A 18 SER OG : rot 140:sc= -0.232 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -0.125 (180deg=-0.828) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.29! C(o=-1.3!,f=-10!) USER MOD Single : A 49 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.062) USER MOD Single : A 50 CYS SG : rot 113:sc= -1.68! USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 82:sc= 1.15 USER MOD Single : A 54 MET CE :methyl -123:sc= -1.24 (180deg=-5.26!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -158:sc= -0.555 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.058 USER MOD Single : A 68 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.95) USER MOD Single : A 69 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.88) USER MOD Single : A 72 MET CE :methyl -120:sc= -0.0465 (180deg=-0.439) USER MOD Single : A 73 ASN : amide:sc= -1.91! C(o=-1.9!,f=-4.2!) USER MOD Single : A 77 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0.327 (180deg=0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 18 -5.781 -1.888 1.137 1.00 0.00 N ATOM 2 CA SER A 18 -6.620 -2.995 0.598 1.00 0.00 C ATOM 3 C SER A 18 -8.092 -2.625 0.733 1.00 0.00 C ATOM 4 O SER A 18 -8.518 -2.092 1.758 1.00 0.00 O ATOM 5 CB SER A 18 -6.329 -4.277 1.378 1.00 0.00 C ATOM 6 OG SER A 18 -6.811 -5.393 0.643 1.00 0.00 O ATOM 0 HA SER A 18 -6.387 -3.156 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.257 -4.376 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.807 -4.237 2.357 1.00 0.00 H new ATOM 0 HG SER A 18 -6.169 -6.131 0.710 1.00 0.00 H new ATOM 11 N LEU A 19 -8.866 -2.914 -0.308 1.00 0.00 N ATOM 12 CA LEU A 19 -10.290 -2.605 -0.294 1.00 0.00 C ATOM 13 C LEU A 19 -11.071 -3.713 0.406 1.00 0.00 C ATOM 14 O LEU A 19 -11.451 -3.577 1.569 1.00 0.00 O ATOM 15 CB LEU A 19 -10.806 -2.447 -1.728 1.00 0.00 C ATOM 16 CG LEU A 19 -12.214 -1.848 -1.702 1.00 0.00 C ATOM 17 CD1 LEU A 19 -12.122 -0.331 -1.519 1.00 0.00 C ATOM 18 CD2 LEU A 19 -12.927 -2.159 -3.021 1.00 0.00 C ATOM 0 H LEU A 19 -8.534 -3.358 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.434 -1.671 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.136 -1.803 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.820 -3.415 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.775 -2.281 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.125 0.095 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.616 -0.108 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.559 0.102 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.930 -1.732 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.365 -1.728 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.995 -3.239 -3.152 1.00 0.00 H new ATOM 30 N ARG A 20 -11.310 -4.809 -0.309 1.00 0.00 N ATOM 31 CA ARG A 20 -12.050 -5.932 0.257 1.00 0.00 C ATOM 32 C ARG A 20 -11.701 -7.224 -0.474 1.00 0.00 C ATOM 33 O ARG A 20 -12.528 -7.789 -1.190 1.00 0.00 O ATOM 34 CB ARG A 20 -13.551 -5.671 0.152 1.00 0.00 C ATOM 35 CG ARG A 20 -13.952 -4.584 1.152 1.00 0.00 C ATOM 36 CD ARG A 20 -15.470 -4.590 1.332 1.00 0.00 C ATOM 37 NE ARG A 20 -15.858 -3.645 2.374 1.00 0.00 N ATOM 38 CZ ARG A 20 -15.829 -3.985 3.658 1.00 0.00 C ATOM 39 NH1 ARG A 20 -15.443 -5.184 4.007 1.00 0.00 N ATOM 40 NH2 ARG A 20 -16.184 -3.124 4.571 1.00 0.00 N ATOM 0 H ARG A 20 -11.005 -4.943 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.773 -6.037 1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.807 -5.360 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.105 -6.588 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.461 -4.757 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.621 -3.608 0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.956 -4.326 0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.808 -5.592 1.596 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.157 -2.706 2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.164 -5.858 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.420 -5.446 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.485 -2.188 4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.161 -3.387 5.556 1.00 0.00 H new ATOM 54 N PRO A 21 -10.499 -7.694 -0.302 1.00 0.00 N ATOM 55 CA PRO A 21 -10.011 -8.945 -0.960 1.00 0.00 C ATOM 56 C PRO A 21 -10.856 -10.159 -0.582 1.00 0.00 C ATOM 57 O PRO A 21 -10.840 -11.176 -1.274 1.00 0.00 O ATOM 58 CB PRO A 21 -8.575 -9.086 -0.457 1.00 0.00 C ATOM 59 CG PRO A 21 -8.490 -8.232 0.764 1.00 0.00 C ATOM 60 CD PRO A 21 -9.469 -7.086 0.545 1.00 0.00 C ATOM 0 HA PRO A 21 -10.075 -8.891 -2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.341 -10.125 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.861 -8.760 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.749 -8.801 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.477 -7.857 0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.882 -6.722 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.993 -6.236 0.056 1.00 0.00 H new ATOM 68 N GLU A 22 -11.580 -10.050 0.524 1.00 0.00 N ATOM 69 CA GLU A 22 -12.427 -11.147 0.979 1.00 0.00 C ATOM 70 C GLU A 22 -13.784 -11.091 0.288 1.00 0.00 C ATOM 71 O GLU A 22 -14.579 -12.028 0.377 1.00 0.00 O ATOM 72 CB GLU A 22 -12.623 -11.060 2.496 1.00 0.00 C ATOM 73 CG GLU A 22 -11.278 -11.267 3.196 1.00 0.00 C ATOM 74 CD GLU A 22 -10.489 -9.963 3.205 1.00 0.00 C ATOM 75 OE1 GLU A 22 -10.948 -9.010 2.595 1.00 0.00 O ATOM 76 OE2 GLU A 22 -9.437 -9.933 3.821 1.00 0.00 O ATOM 0 H GLU A 22 -11.599 -9.222 1.119 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.939 -12.089 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.039 -10.089 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.337 -11.815 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.440 -11.611 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.708 -12.043 2.685 1.00 0.00 H new ATOM 83 N GLU A 23 -14.051 -9.982 -0.398 1.00 0.00 N ATOM 84 CA GLU A 23 -15.316 -9.816 -1.098 1.00 0.00 C ATOM 85 C GLU A 23 -15.173 -10.177 -2.572 1.00 0.00 C ATOM 86 O GLU A 23 -15.964 -10.950 -3.111 1.00 0.00 O ATOM 87 CB GLU A 23 -15.796 -8.365 -0.969 1.00 0.00 C ATOM 88 CG GLU A 23 -17.204 -8.237 -1.555 1.00 0.00 C ATOM 89 CD GLU A 23 -18.209 -8.951 -0.656 1.00 0.00 C ATOM 90 OE1 GLU A 23 -17.820 -9.360 0.426 1.00 0.00 O ATOM 91 OE2 GLU A 23 -19.350 -9.081 -1.063 1.00 0.00 O ATOM 0 H GLU A 23 -13.411 -9.192 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 23 -16.048 -10.486 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.798 -8.064 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.111 -7.697 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.473 -7.185 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.231 -8.666 -2.557 1.00 0.00 H new ATOM 98 N ILE A 24 -14.161 -9.606 -3.218 1.00 0.00 N ATOM 99 CA ILE A 24 -13.929 -9.866 -4.636 1.00 0.00 C ATOM 100 C ILE A 24 -13.541 -11.319 -4.862 1.00 0.00 C ATOM 101 O ILE A 24 -13.796 -11.881 -5.928 1.00 0.00 O ATOM 102 CB ILE A 24 -12.827 -8.946 -5.160 1.00 0.00 C ATOM 103 CG1 ILE A 24 -11.616 -9.028 -4.227 1.00 0.00 C ATOM 104 CG2 ILE A 24 -13.335 -7.506 -5.211 1.00 0.00 C ATOM 105 CD1 ILE A 24 -10.430 -8.304 -4.865 1.00 0.00 C ATOM 0 H ILE A 24 -13.494 -8.966 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.853 -9.668 -5.178 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.540 -9.259 -6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.855 -8.578 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.360 -10.070 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.545 -6.855 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.198 -7.448 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.625 -7.187 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.568 -8.362 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.186 -8.774 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.689 -7.259 -5.032 1.00 0.00 H new ATOM 117 N GLU A 25 -12.928 -11.925 -3.852 1.00 0.00 N ATOM 118 CA GLU A 25 -12.517 -13.323 -3.947 1.00 0.00 C ATOM 119 C GLU A 25 -13.741 -14.230 -4.048 1.00 0.00 C ATOM 120 O GLU A 25 -13.732 -15.220 -4.780 1.00 0.00 O ATOM 121 CB GLU A 25 -11.686 -13.710 -2.724 1.00 0.00 C ATOM 122 CG GLU A 25 -10.246 -13.225 -2.907 1.00 0.00 C ATOM 123 CD GLU A 25 -9.531 -14.106 -3.929 1.00 0.00 C ATOM 124 OE1 GLU A 25 -9.968 -15.228 -4.125 1.00 0.00 O ATOM 125 OE2 GLU A 25 -8.551 -13.648 -4.491 1.00 0.00 O ATOM 0 H GLU A 25 -12.705 -11.476 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.911 -13.447 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.117 -13.270 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.702 -14.791 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.241 -12.187 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.718 -13.256 -1.954 1.00 0.00 H new ATOM 132 N GLU A 26 -14.788 -13.888 -3.304 1.00 0.00 N ATOM 133 CA GLU A 26 -16.015 -14.676 -3.323 1.00 0.00 C ATOM 134 C GLU A 26 -16.702 -14.553 -4.682 1.00 0.00 C ATOM 135 O GLU A 26 -17.235 -15.531 -5.208 1.00 0.00 O ATOM 136 CB GLU A 26 -16.963 -14.194 -2.224 1.00 0.00 C ATOM 137 CG GLU A 26 -18.202 -15.088 -2.192 1.00 0.00 C ATOM 138 CD GLU A 26 -19.145 -14.633 -1.083 1.00 0.00 C ATOM 139 OE1 GLU A 26 -18.944 -13.544 -0.572 1.00 0.00 O ATOM 140 OE2 GLU A 26 -20.055 -15.380 -0.763 1.00 0.00 O ATOM 0 H GLU A 26 -14.812 -13.077 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.760 -15.721 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.459 -14.218 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.253 -13.159 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.713 -15.050 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.908 -16.125 -2.028 1.00 0.00 H new ATOM 147 N LEU A 27 -16.689 -13.351 -5.244 1.00 0.00 N ATOM 148 CA LEU A 27 -17.306 -13.112 -6.542 1.00 0.00 C ATOM 149 C LEU A 27 -16.556 -13.872 -7.634 1.00 0.00 C ATOM 150 O LEU A 27 -17.157 -14.359 -8.592 1.00 0.00 O ATOM 151 CB LEU A 27 -17.298 -11.619 -6.861 1.00 0.00 C ATOM 152 CG LEU A 27 -18.212 -10.883 -5.879 1.00 0.00 C ATOM 153 CD1 LEU A 27 -18.024 -9.372 -6.041 1.00 0.00 C ATOM 154 CD2 LEU A 27 -19.671 -11.251 -6.163 1.00 0.00 C ATOM 0 H LEU A 27 -16.259 -12.528 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.336 -13.466 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.283 -11.227 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.636 -11.453 -7.884 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.958 -11.173 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -18.675 -8.847 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.986 -9.111 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -18.277 -9.081 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -20.321 -10.726 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.927 -10.963 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.804 -12.326 -6.046 1.00 0.00 H new ATOM 166 N ARG A 28 -15.238 -13.967 -7.485 1.00 0.00 N ATOM 167 CA ARG A 28 -14.414 -14.659 -8.468 1.00 0.00 C ATOM 168 C ARG A 28 -14.939 -16.073 -8.700 1.00 0.00 C ATOM 169 O ARG A 28 -14.972 -16.551 -9.836 1.00 0.00 O ATOM 170 CB ARG A 28 -12.965 -14.722 -7.982 1.00 0.00 C ATOM 171 CG ARG A 28 -12.091 -15.358 -9.064 1.00 0.00 C ATOM 172 CD ARG A 28 -10.634 -15.378 -8.597 1.00 0.00 C ATOM 173 NE ARG A 28 -9.764 -15.827 -9.679 1.00 0.00 N ATOM 174 CZ ARG A 28 -8.446 -15.892 -9.518 1.00 0.00 C ATOM 175 NH1 ARG A 28 -7.911 -15.549 -8.379 1.00 0.00 N ATOM 176 NH2 ARG A 28 -7.688 -16.297 -10.500 1.00 0.00 N ATOM 0 H ARG A 28 -14.721 -13.576 -6.698 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.456 -14.108 -9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.604 -13.720 -7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.904 -15.303 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.431 -16.372 -9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.178 -14.796 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.336 -14.382 -8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.529 -16.040 -7.738 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.174 -16.095 -10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.504 -15.231 -7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.900 -15.599 -8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.107 -16.564 -11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.677 -16.347 -10.377 1.00 0.00 H new ATOM 190 N GLU A 29 -15.343 -16.735 -7.623 1.00 0.00 N ATOM 191 CA GLU A 29 -15.863 -18.094 -7.725 1.00 0.00 C ATOM 192 C GLU A 29 -17.155 -18.112 -8.540 1.00 0.00 C ATOM 193 O GLU A 29 -17.349 -18.980 -9.392 1.00 0.00 O ATOM 194 CB GLU A 29 -16.136 -18.652 -6.328 1.00 0.00 C ATOM 195 CG GLU A 29 -14.814 -18.808 -5.575 1.00 0.00 C ATOM 196 CD GLU A 29 -15.077 -19.297 -4.155 1.00 0.00 C ATOM 197 OE1 GLU A 29 -16.229 -19.548 -3.839 1.00 0.00 O ATOM 198 OE2 GLU A 29 -14.124 -19.414 -3.402 1.00 0.00 O ATOM 0 H GLU A 29 -15.321 -16.357 -6.676 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.119 -18.712 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.802 -17.984 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -16.641 -19.615 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.169 -19.514 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.287 -17.854 -5.548 1.00 0.00 H new ATOM 205 N ALA A 30 -18.029 -17.146 -8.278 1.00 0.00 N ATOM 206 CA ALA A 30 -19.297 -17.062 -8.996 1.00 0.00 C ATOM 207 C ALA A 30 -19.052 -16.931 -10.496 1.00 0.00 C ATOM 208 O ALA A 30 -19.703 -17.598 -11.302 1.00 0.00 O ATOM 209 CB ALA A 30 -20.097 -15.856 -8.501 1.00 0.00 C ATOM 0 H ALA A 30 -17.885 -16.416 -7.580 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.863 -17.975 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.042 -15.800 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.295 -15.963 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.525 -14.944 -8.674 1.00 0.00 H new ATOM 215 N PHE A 31 -18.103 -16.074 -10.864 1.00 0.00 N ATOM 216 CA PHE A 31 -17.787 -15.867 -12.273 1.00 0.00 C ATOM 217 C PHE A 31 -17.466 -17.201 -12.945 1.00 0.00 C ATOM 218 O PHE A 31 -18.007 -17.511 -14.006 1.00 0.00 O ATOM 219 CB PHE A 31 -16.576 -14.936 -12.399 1.00 0.00 C ATOM 220 CG PHE A 31 -16.536 -14.344 -13.788 1.00 0.00 C ATOM 221 CD1 PHE A 31 -17.345 -13.245 -14.100 1.00 0.00 C ATOM 222 CD2 PHE A 31 -15.698 -14.896 -14.761 1.00 0.00 C ATOM 223 CE1 PHE A 31 -17.312 -12.696 -15.388 1.00 0.00 C ATOM 224 CE2 PHE A 31 -15.665 -14.349 -16.049 1.00 0.00 C ATOM 225 CZ PHE A 31 -16.472 -13.247 -16.362 1.00 0.00 C ATOM 0 H PHE A 31 -17.546 -15.518 -10.215 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.651 -15.418 -12.762 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.636 -14.141 -11.655 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.657 -15.488 -12.201 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -17.994 -12.821 -13.348 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -15.076 -15.745 -14.519 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.935 -11.847 -15.629 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -15.018 -14.776 -16.801 1.00 0.00 H new ATOM 0 HZ PHE A 31 -16.446 -12.823 -17.355 1.00 0.00 H new ATOM 235 N ARG A 32 -16.596 -17.983 -12.319 1.00 0.00 N ATOM 236 CA ARG A 32 -16.222 -19.284 -12.868 1.00 0.00 C ATOM 237 C ARG A 32 -17.453 -20.170 -13.027 1.00 0.00 C ATOM 238 O ARG A 32 -17.611 -20.848 -14.041 1.00 0.00 O ATOM 239 CB ARG A 32 -15.216 -19.971 -11.940 1.00 0.00 C ATOM 240 CG ARG A 32 -13.869 -19.249 -12.025 1.00 0.00 C ATOM 241 CD ARG A 32 -12.873 -19.915 -11.075 1.00 0.00 C ATOM 242 NE ARG A 32 -11.579 -19.246 -11.151 1.00 0.00 N ATOM 243 CZ ARG A 32 -10.480 -19.821 -10.675 1.00 0.00 C ATOM 244 NH1 ARG A 32 -10.546 -21.006 -10.129 1.00 0.00 N ATOM 245 NH2 ARG A 32 -9.333 -19.204 -10.755 1.00 0.00 N ATOM 0 H ARG A 32 -16.139 -17.744 -11.439 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.769 -19.129 -13.847 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.584 -19.958 -10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.099 -21.017 -12.223 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.491 -19.281 -13.047 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.991 -18.198 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.251 -19.875 -10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.762 -20.968 -11.333 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.517 -18.321 -11.577 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.442 -21.490 -10.068 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.702 -21.447 -9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.280 -18.280 -11.183 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.490 -19.646 -10.389 1.00 0.00 H new ATOM 259 N GLU A 33 -18.324 -20.155 -12.024 1.00 0.00 N ATOM 260 CA GLU A 33 -19.540 -20.956 -12.070 1.00 0.00 C ATOM 261 C GLU A 33 -20.410 -20.542 -13.247 1.00 0.00 C ATOM 262 O GLU A 33 -21.281 -21.295 -13.686 1.00 0.00 O ATOM 263 CB GLU A 33 -20.328 -20.788 -10.767 1.00 0.00 C ATOM 264 CG GLU A 33 -19.575 -21.470 -9.623 1.00 0.00 C ATOM 265 CD GLU A 33 -20.314 -21.247 -8.308 1.00 0.00 C ATOM 266 OE1 GLU A 33 -21.414 -20.723 -8.351 1.00 0.00 O ATOM 267 OE2 GLU A 33 -19.766 -21.600 -7.276 1.00 0.00 O ATOM 0 H GLU A 33 -18.211 -19.601 -11.175 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.258 -22.002 -12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.465 -19.729 -10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.322 -21.223 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.484 -22.538 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.563 -21.071 -9.553 1.00 0.00 H new ATOM 274 N PHE A 34 -20.176 -19.334 -13.759 1.00 0.00 N ATOM 275 CA PHE A 34 -20.943 -18.827 -14.888 1.00 0.00 C ATOM 276 C PHE A 34 -20.039 -18.590 -16.090 1.00 0.00 C ATOM 277 O PHE A 34 -20.472 -18.050 -17.110 1.00 0.00 O ATOM 278 CB PHE A 34 -21.637 -17.521 -14.501 1.00 0.00 C ATOM 279 CG PHE A 34 -22.796 -17.816 -13.579 1.00 0.00 C ATOM 280 CD1 PHE A 34 -23.925 -18.485 -14.069 1.00 0.00 C ATOM 281 CD2 PHE A 34 -22.743 -17.427 -12.236 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.000 -18.760 -13.215 1.00 0.00 C ATOM 283 CE2 PHE A 34 -23.817 -17.700 -11.383 1.00 0.00 C ATOM 284 CZ PHE A 34 -24.946 -18.368 -11.872 1.00 0.00 C ATOM 0 H PHE A 34 -19.464 -18.693 -13.409 1.00 0.00 H new ATOM 0 HA PHE A 34 -21.693 -19.571 -15.157 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -20.929 -16.853 -14.010 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -21.992 -17.008 -15.395 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -23.966 -18.788 -15.105 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -21.871 -16.915 -11.857 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -25.871 -19.275 -13.592 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -23.776 -17.396 -10.348 1.00 0.00 H new ATOM 0 HZ PHE A 34 -25.775 -18.581 -11.213 1.00 0.00 H new ATOM 294 N ASP A 35 -18.776 -18.991 -15.967 1.00 0.00 N ATOM 295 CA ASP A 35 -17.817 -18.810 -17.053 1.00 0.00 C ATOM 296 C ASP A 35 -17.857 -20.002 -17.999 1.00 0.00 C ATOM 297 O ASP A 35 -17.225 -21.030 -17.753 1.00 0.00 O ATOM 298 CB ASP A 35 -16.407 -18.658 -16.481 1.00 0.00 C ATOM 299 CG ASP A 35 -15.461 -18.151 -17.563 1.00 0.00 C ATOM 300 OD1 ASP A 35 -15.941 -17.811 -18.631 1.00 0.00 O ATOM 301 OD2 ASP A 35 -14.269 -18.110 -17.307 1.00 0.00 O ATOM 0 H ASP A 35 -18.395 -19.440 -15.134 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.083 -17.910 -17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.419 -17.963 -15.641 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.055 -19.616 -16.098 1.00 0.00 H new ATOM 306 N LYS A 36 -18.603 -19.860 -19.094 1.00 0.00 N ATOM 307 CA LYS A 36 -18.716 -20.938 -20.078 1.00 0.00 C ATOM 308 C LYS A 36 -18.738 -20.362 -21.487 1.00 0.00 C ATOM 309 O LYS A 36 -19.807 -20.115 -22.046 1.00 0.00 O ATOM 310 CB LYS A 36 -19.994 -21.734 -19.824 1.00 0.00 C ATOM 311 CG LYS A 36 -20.039 -22.935 -20.772 1.00 0.00 C ATOM 312 CD LYS A 36 -21.291 -23.765 -20.482 1.00 0.00 C ATOM 313 CE LYS A 36 -21.329 -24.973 -21.420 1.00 0.00 C ATOM 314 NZ LYS A 36 -22.541 -25.791 -21.127 1.00 0.00 N ATOM 0 H LYS A 36 -19.133 -19.019 -19.322 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.854 -21.598 -19.981 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -20.026 -22.072 -18.788 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -20.867 -21.101 -19.979 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.047 -22.595 -21.808 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.146 -23.547 -20.644 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.288 -24.097 -19.444 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -22.184 -23.156 -20.619 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.343 -24.641 -22.458 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.430 -25.576 -21.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.568 -26.613 -21.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.508 -26.119 -20.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -23.393 -25.213 -21.272 1.00 0.00 H new ATOM 328 N ASP A 37 -17.555 -20.158 -22.059 1.00 0.00 N ATOM 329 CA ASP A 37 -17.447 -19.605 -23.402 1.00 0.00 C ATOM 330 C ASP A 37 -16.021 -19.141 -23.676 1.00 0.00 C ATOM 331 O ASP A 37 -15.299 -19.752 -24.462 1.00 0.00 O ATOM 332 CB ASP A 37 -18.406 -18.414 -23.548 1.00 0.00 C ATOM 333 CG ASP A 37 -18.435 -17.608 -22.254 1.00 0.00 C ATOM 334 OD1 ASP A 37 -17.574 -17.835 -21.416 1.00 0.00 O ATOM 335 OD2 ASP A 37 -19.317 -16.776 -22.119 1.00 0.00 O ATOM 0 H ASP A 37 -16.661 -20.367 -21.614 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.710 -20.382 -24.120 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -18.088 -17.779 -24.375 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.408 -18.770 -23.787 1.00 0.00 H new ATOM 340 N LYS A 38 -15.618 -18.047 -23.029 1.00 0.00 N ATOM 341 CA LYS A 38 -14.276 -17.507 -23.218 1.00 0.00 C ATOM 342 C LYS A 38 -13.382 -17.865 -22.042 1.00 0.00 C ATOM 343 O LYS A 38 -12.204 -17.507 -22.014 1.00 0.00 O ATOM 344 CB LYS A 38 -14.348 -15.988 -23.373 1.00 0.00 C ATOM 345 CG LYS A 38 -15.247 -15.630 -24.559 1.00 0.00 C ATOM 346 CD LYS A 38 -14.463 -15.783 -25.865 1.00 0.00 C ATOM 347 CE LYS A 38 -15.329 -15.325 -27.038 1.00 0.00 C ATOM 348 NZ LYS A 38 -15.692 -13.891 -26.855 1.00 0.00 N ATOM 0 H LYS A 38 -16.198 -17.522 -22.375 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.849 -17.944 -24.121 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.738 -15.538 -22.460 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.349 -15.581 -23.527 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.124 -16.278 -24.572 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.608 -14.607 -24.458 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.548 -15.193 -25.823 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.166 -16.823 -26.003 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.790 -15.458 -27.976 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.230 -15.935 -27.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.910 -13.467 -27.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.525 -13.820 -26.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.894 -13.384 -26.421 1.00 0.00 H new ATOM 362 N ASP A 39 -13.950 -18.561 -21.066 1.00 0.00 N ATOM 363 CA ASP A 39 -13.196 -18.959 -19.882 1.00 0.00 C ATOM 364 C ASP A 39 -12.553 -17.742 -19.228 1.00 0.00 C ATOM 365 O ASP A 39 -11.830 -17.862 -18.237 1.00 0.00 O ATOM 366 CB ASP A 39 -12.110 -19.965 -20.267 1.00 0.00 C ATOM 367 CG ASP A 39 -12.748 -21.293 -20.657 1.00 0.00 C ATOM 368 OD1 ASP A 39 -13.949 -21.425 -20.478 1.00 0.00 O ATOM 369 OD2 ASP A 39 -12.028 -22.159 -21.127 1.00 0.00 O ATOM 0 HA ASP A 39 -13.883 -19.421 -19.174 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.521 -19.577 -21.098 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.425 -20.112 -19.432 1.00 0.00 H new ATOM 374 N GLY A 40 -12.824 -16.566 -19.785 1.00 0.00 N ATOM 375 CA GLY A 40 -12.274 -15.328 -19.246 1.00 0.00 C ATOM 376 C GLY A 40 -13.310 -14.214 -19.278 1.00 0.00 C ATOM 377 O GLY A 40 -13.267 -13.284 -18.469 1.00 0.00 O ATOM 0 H GLY A 40 -13.418 -16.445 -20.605 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.940 -15.490 -18.221 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.398 -15.032 -19.824 1.00 0.00 H new ATOM 381 N TYR A 41 -14.243 -14.304 -20.224 1.00 0.00 N ATOM 382 CA TYR A 41 -15.284 -13.292 -20.354 1.00 0.00 C ATOM 383 C TYR A 41 -16.633 -13.932 -20.631 1.00 0.00 C ATOM 384 O TYR A 41 -16.728 -14.923 -21.358 1.00 0.00 O ATOM 385 CB TYR A 41 -14.931 -12.339 -21.506 1.00 0.00 C ATOM 386 CG TYR A 41 -13.459 -12.006 -21.455 1.00 0.00 C ATOM 387 CD1 TYR A 41 -12.928 -11.346 -20.341 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.624 -12.359 -22.524 1.00 0.00 C ATOM 389 CE1 TYR A 41 -11.563 -11.039 -20.295 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.260 -12.052 -22.477 1.00 0.00 C ATOM 391 CZ TYR A 41 -10.729 -11.392 -21.362 1.00 0.00 C ATOM 392 OH TYR A 41 -9.383 -11.089 -21.317 1.00 0.00 O ATOM 0 H TYR A 41 -14.298 -15.061 -20.905 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.346 -12.741 -19.416 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.177 -12.801 -22.462 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.523 -11.427 -21.431 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.571 -11.074 -19.517 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.034 -12.868 -23.384 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.153 -10.529 -19.436 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.617 -12.324 -23.301 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.949 -11.405 -22.137 1.00 0.00 H new ATOM 402 N ILE A 42 -17.686 -13.364 -20.051 1.00 0.00 N ATOM 403 CA ILE A 42 -19.037 -13.873 -20.242 1.00 0.00 C ATOM 404 C ILE A 42 -19.879 -12.854 -21.004 1.00 0.00 C ATOM 405 O ILE A 42 -19.351 -11.916 -21.606 1.00 0.00 O ATOM 406 CB ILE A 42 -19.687 -14.185 -18.902 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.697 -12.922 -18.038 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.896 -15.282 -18.193 1.00 0.00 C ATOM 409 CD1 ILE A 42 -20.376 -13.225 -16.702 1.00 0.00 C ATOM 0 H ILE A 42 -17.627 -12.547 -19.443 1.00 0.00 H new ATOM 0 HA ILE A 42 -18.979 -14.794 -20.823 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.710 -14.525 -19.064 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.677 -12.575 -17.870 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -20.225 -12.120 -18.553 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.362 -15.505 -17.233 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.888 -16.181 -18.810 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.873 -14.945 -18.029 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -20.384 -12.326 -16.086 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.401 -13.551 -16.880 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.828 -14.014 -16.186 1.00 0.00 H new ATOM 421 N ASN A 43 -21.195 -13.045 -20.983 1.00 0.00 N ATOM 422 CA ASN A 43 -22.101 -12.139 -21.682 1.00 0.00 C ATOM 423 C ASN A 43 -23.344 -11.865 -20.844 1.00 0.00 C ATOM 424 O ASN A 43 -23.493 -12.397 -19.744 1.00 0.00 O ATOM 425 CB ASN A 43 -22.512 -12.751 -23.023 1.00 0.00 C ATOM 426 CG ASN A 43 -22.992 -14.184 -22.820 1.00 0.00 C ATOM 427 OD1 ASN A 43 -22.829 -14.744 -21.735 1.00 0.00 O ATOM 428 ND2 ASN A 43 -23.576 -14.812 -23.802 1.00 0.00 N ATOM 0 H ASN A 43 -21.655 -13.813 -20.494 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.581 -11.196 -21.853 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.304 -12.155 -23.476 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.668 -12.736 -23.712 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.900 -15.771 -23.673 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -23.709 -14.345 -24.699 1.00 0.00 H new ATOM 435 N CYS A 44 -24.235 -11.032 -21.371 1.00 0.00 N ATOM 436 CA CYS A 44 -25.462 -10.690 -20.662 1.00 0.00 C ATOM 437 C CYS A 44 -26.355 -11.914 -20.507 1.00 0.00 C ATOM 438 O CYS A 44 -27.514 -11.806 -20.106 1.00 0.00 O ATOM 439 CB CYS A 44 -26.219 -9.597 -21.423 1.00 0.00 C ATOM 440 SG CYS A 44 -26.867 -10.280 -22.967 1.00 0.00 S ATOM 0 H CYS A 44 -24.131 -10.584 -22.281 1.00 0.00 H new ATOM 0 HA CYS A 44 -25.193 -10.325 -19.671 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -27.035 -9.212 -20.812 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.555 -8.759 -21.634 1.00 0.00 H new ATOM 0 HG CYS A 44 -26.385 -9.612 -23.973 1.00 0.00 H new ATOM 446 N ARG A 45 -25.808 -13.082 -20.829 1.00 0.00 N ATOM 447 CA ARG A 45 -26.569 -14.319 -20.727 1.00 0.00 C ATOM 448 C ARG A 45 -26.688 -14.760 -19.273 1.00 0.00 C ATOM 449 O ARG A 45 -27.777 -14.761 -18.701 1.00 0.00 O ATOM 450 CB ARG A 45 -25.882 -15.423 -21.541 1.00 0.00 C ATOM 451 CG ARG A 45 -26.745 -16.688 -21.521 1.00 0.00 C ATOM 452 CD ARG A 45 -26.048 -17.794 -22.318 1.00 0.00 C ATOM 453 NE ARG A 45 -26.913 -18.965 -22.412 1.00 0.00 N ATOM 454 CZ ARG A 45 -26.948 -19.873 -21.440 1.00 0.00 C ATOM 455 NH1 ARG A 45 -26.201 -19.722 -20.380 1.00 0.00 N ATOM 456 NH2 ARG A 45 -27.726 -20.912 -21.548 1.00 0.00 N ATOM 0 H ARG A 45 -24.850 -13.196 -21.160 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.569 -14.140 -21.123 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -25.730 -15.091 -22.568 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -24.897 -15.636 -21.126 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.909 -17.013 -20.494 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -27.725 -16.479 -21.949 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -25.801 -17.433 -23.317 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -25.109 -18.064 -21.836 1.00 0.00 H new ATOM 0 HE ARG A 45 -27.501 -19.090 -23.236 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -25.591 -18.908 -20.297 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -26.227 -20.418 -19.634 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -28.308 -21.029 -22.377 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -27.753 -21.608 -20.803 1.00 0.00 H new ATOM 470 N ASP A 46 -25.560 -15.143 -18.681 1.00 0.00 N ATOM 471 CA ASP A 46 -25.550 -15.596 -17.294 1.00 0.00 C ATOM 472 C ASP A 46 -25.542 -14.414 -16.338 1.00 0.00 C ATOM 473 O ASP A 46 -25.762 -14.573 -15.140 1.00 0.00 O ATOM 474 CB ASP A 46 -24.322 -16.474 -17.043 1.00 0.00 C ATOM 475 CG ASP A 46 -24.461 -17.798 -17.788 1.00 0.00 C ATOM 476 OD1 ASP A 46 -25.561 -18.095 -18.227 1.00 0.00 O ATOM 477 OD2 ASP A 46 -23.467 -18.495 -17.908 1.00 0.00 O ATOM 0 H ASP A 46 -24.647 -15.149 -19.136 1.00 0.00 H new ATOM 0 HA ASP A 46 -26.455 -16.177 -17.116 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -23.422 -15.956 -17.372 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -24.210 -16.659 -15.975 1.00 0.00 H new ATOM 482 N LEU A 47 -25.291 -13.227 -16.878 1.00 0.00 N ATOM 483 CA LEU A 47 -25.244 -12.023 -16.054 1.00 0.00 C ATOM 484 C LEU A 47 -26.518 -11.908 -15.219 1.00 0.00 C ATOM 485 O LEU A 47 -26.453 -11.705 -14.005 1.00 0.00 O ATOM 486 CB LEU A 47 -25.116 -10.789 -16.952 1.00 0.00 C ATOM 487 CG LEU A 47 -24.926 -9.542 -16.084 1.00 0.00 C ATOM 488 CD1 LEU A 47 -23.556 -9.597 -15.401 1.00 0.00 C ATOM 489 CD2 LEU A 47 -25.012 -8.291 -16.962 1.00 0.00 C ATOM 0 H LEU A 47 -25.119 -13.072 -17.871 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.383 -12.085 -15.389 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -24.270 -10.906 -17.630 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -26.007 -10.682 -17.570 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.707 -9.506 -15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -23.421 -8.709 -14.783 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -23.497 -10.487 -14.775 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.773 -9.634 -16.158 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.877 -7.403 -16.344 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -24.232 -8.326 -17.723 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -25.988 -8.252 -17.445 1.00 0.00 H new ATOM 501 N GLY A 48 -27.667 -12.041 -15.870 1.00 0.00 N ATOM 502 CA GLY A 48 -28.943 -11.953 -15.171 1.00 0.00 C ATOM 503 C GLY A 48 -29.163 -13.179 -14.293 1.00 0.00 C ATOM 504 O GLY A 48 -30.094 -13.223 -13.489 1.00 0.00 O ATOM 0 H GLY A 48 -27.742 -12.209 -16.873 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.966 -11.052 -14.558 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.754 -11.867 -15.894 1.00 0.00 H new ATOM 508 N ASN A 49 -28.302 -14.181 -14.456 1.00 0.00 N ATOM 509 CA ASN A 49 -28.408 -15.402 -13.670 1.00 0.00 C ATOM 510 C ASN A 49 -27.568 -15.312 -12.401 1.00 0.00 C ATOM 511 O ASN A 49 -28.034 -15.636 -11.311 1.00 0.00 O ATOM 512 CB ASN A 49 -27.943 -16.600 -14.505 1.00 0.00 C ATOM 513 CG ASN A 49 -28.488 -17.897 -13.913 1.00 0.00 C ATOM 514 OD1 ASN A 49 -29.257 -18.602 -14.563 1.00 0.00 O ATOM 515 ND2 ASN A 49 -28.132 -18.250 -12.708 1.00 0.00 N ATOM 0 H ASN A 49 -27.529 -14.170 -15.121 1.00 0.00 H new ATOM 0 HA ASN A 49 -29.452 -15.533 -13.386 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.284 -16.490 -15.534 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -26.854 -16.633 -14.532 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -28.492 -19.114 -12.302 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -27.494 -17.662 -12.172 1.00 0.00 H new ATOM 522 N CYS A 50 -26.323 -14.871 -12.555 1.00 0.00 N ATOM 523 CA CYS A 50 -25.422 -14.750 -11.418 1.00 0.00 C ATOM 524 C CYS A 50 -25.794 -13.557 -10.549 1.00 0.00 C ATOM 525 O CYS A 50 -25.734 -13.625 -9.325 1.00 0.00 O ATOM 526 CB CYS A 50 -23.979 -14.600 -11.915 1.00 0.00 C ATOM 527 SG CYS A 50 -23.634 -12.855 -12.258 1.00 0.00 S ATOM 0 H CYS A 50 -25.919 -14.594 -13.450 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.510 -15.653 -10.814 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.284 -14.978 -11.165 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -23.830 -15.195 -12.816 1.00 0.00 H new ATOM 0 HG CYS A 50 -22.754 -12.412 -11.410 1.00 0.00 H new ATOM 533 N MET A 51 -26.170 -12.458 -11.199 1.00 0.00 N ATOM 534 CA MET A 51 -26.539 -11.247 -10.478 1.00 0.00 C ATOM 535 C MET A 51 -27.846 -11.438 -9.733 1.00 0.00 C ATOM 536 O MET A 51 -28.213 -10.639 -8.877 1.00 0.00 O ATOM 537 CB MET A 51 -26.660 -10.073 -11.450 1.00 0.00 C ATOM 538 CG MET A 51 -25.273 -9.683 -11.964 1.00 0.00 C ATOM 539 SD MET A 51 -25.408 -8.208 -13.006 1.00 0.00 S ATOM 540 CE MET A 51 -25.232 -6.982 -11.687 1.00 0.00 C ATOM 0 H MET A 51 -26.226 -12.383 -12.215 1.00 0.00 H new ATOM 0 HA MET A 51 -25.756 -11.032 -9.750 1.00 0.00 H new ATOM 0 HB2 MET A 51 -27.305 -10.345 -12.286 1.00 0.00 H new ATOM 0 HB3 MET A 51 -27.126 -9.223 -10.952 1.00 0.00 H new ATOM 0 HG2 MET A 51 -24.604 -9.489 -11.126 1.00 0.00 H new ATOM 0 HG3 MET A 51 -24.840 -10.505 -12.534 1.00 0.00 H new ATOM 0 HE1 MET A 51 -25.286 -5.980 -12.112 1.00 0.00 H new ATOM 0 HE2 MET A 51 -26.034 -7.112 -10.960 1.00 0.00 H new ATOM 0 HE3 MET A 51 -24.270 -7.115 -11.193 1.00 0.00 H new ATOM 550 N ARG A 52 -28.573 -12.498 -10.076 1.00 0.00 N ATOM 551 CA ARG A 52 -29.838 -12.791 -9.426 1.00 0.00 C ATOM 552 C ARG A 52 -29.653 -13.804 -8.300 1.00 0.00 C ATOM 553 O ARG A 52 -30.378 -13.789 -7.307 1.00 0.00 O ATOM 554 CB ARG A 52 -30.838 -13.341 -10.448 1.00 0.00 C ATOM 555 CG ARG A 52 -32.197 -13.552 -9.777 1.00 0.00 C ATOM 556 CD ARG A 52 -33.217 -14.007 -10.822 1.00 0.00 C ATOM 557 NE ARG A 52 -32.885 -15.341 -11.307 1.00 0.00 N ATOM 558 CZ ARG A 52 -33.544 -15.887 -12.322 1.00 0.00 C ATOM 559 NH1 ARG A 52 -34.507 -15.228 -12.905 1.00 0.00 N ATOM 560 NH2 ARG A 52 -33.229 -17.084 -12.735 1.00 0.00 N ATOM 0 H ARG A 52 -28.305 -13.165 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.222 -11.864 -9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -30.938 -12.648 -11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -30.473 -14.283 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -32.112 -14.298 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -32.530 -12.627 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -34.217 -14.009 -10.387 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -33.233 -13.304 -11.655 1.00 0.00 H new ATOM 0 HE ARG A 52 -32.133 -15.864 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -34.754 -14.293 -12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -35.013 -15.648 -13.685 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -32.477 -17.600 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -33.735 -17.504 -13.515 1.00 0.00 H new ATOM 574 N THR A 53 -28.687 -14.696 -8.475 1.00 0.00 N ATOM 575 CA THR A 53 -28.439 -15.727 -7.481 1.00 0.00 C ATOM 576 C THR A 53 -27.991 -15.139 -6.160 1.00 0.00 C ATOM 577 O THR A 53 -28.527 -15.470 -5.101 1.00 0.00 O ATOM 578 CB THR A 53 -27.358 -16.700 -7.993 1.00 0.00 C ATOM 579 OG1 THR A 53 -27.699 -17.148 -9.298 1.00 0.00 O ATOM 580 CG2 THR A 53 -27.251 -17.901 -7.052 1.00 0.00 C ATOM 0 H THR A 53 -28.070 -14.726 -9.287 1.00 0.00 H new ATOM 0 HA THR A 53 -29.377 -16.257 -7.318 1.00 0.00 H new ATOM 0 HB THR A 53 -26.399 -16.183 -8.025 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.423 -16.477 -9.957 1.00 0.00 H new ATOM 0 HG21 THR A 53 -26.486 -18.584 -7.420 1.00 0.00 H new ATOM 0 HG22 THR A 53 -26.981 -17.558 -6.053 1.00 0.00 H new ATOM 0 HG23 THR A 53 -28.210 -18.418 -7.012 1.00 0.00 H new ATOM 588 N MET A 54 -27.002 -14.251 -6.221 1.00 0.00 N ATOM 589 CA MET A 54 -26.462 -13.634 -5.015 1.00 0.00 C ATOM 590 C MET A 54 -26.704 -12.144 -5.003 1.00 0.00 C ATOM 591 O MET A 54 -26.433 -11.463 -4.011 1.00 0.00 O ATOM 592 CB MET A 54 -24.950 -13.914 -4.933 1.00 0.00 C ATOM 593 CG MET A 54 -24.713 -15.402 -4.664 1.00 0.00 C ATOM 594 SD MET A 54 -22.932 -15.721 -4.570 1.00 0.00 S ATOM 595 CE MET A 54 -22.583 -15.596 -6.343 1.00 0.00 C ATOM 0 H MET A 54 -26.561 -13.945 -7.088 1.00 0.00 H new ATOM 0 HA MET A 54 -26.970 -14.064 -4.152 1.00 0.00 H new ATOM 0 HB2 MET A 54 -24.466 -13.622 -5.865 1.00 0.00 H new ATOM 0 HB3 MET A 54 -24.502 -13.316 -4.139 1.00 0.00 H new ATOM 0 HG2 MET A 54 -25.196 -15.696 -3.732 1.00 0.00 H new ATOM 0 HG3 MET A 54 -25.160 -16.002 -5.457 1.00 0.00 H new ATOM 0 HE1 MET A 54 -22.119 -16.520 -6.688 1.00 0.00 H new ATOM 0 HE2 MET A 54 -23.514 -15.432 -6.886 1.00 0.00 H new ATOM 0 HE3 MET A 54 -21.906 -14.761 -6.523 1.00 0.00 H new ATOM 605 N GLY A 55 -27.219 -11.625 -6.114 1.00 0.00 N ATOM 606 CA GLY A 55 -27.499 -10.198 -6.224 1.00 0.00 C ATOM 607 C GLY A 55 -28.989 -9.920 -6.051 1.00 0.00 C ATOM 608 O GLY A 55 -29.408 -9.321 -5.060 1.00 0.00 O ATOM 0 H GLY A 55 -27.450 -12.168 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.933 -9.653 -5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.167 -9.832 -7.196 1.00 0.00 H new ATOM 612 N TYR A 56 -29.784 -10.360 -7.019 1.00 0.00 N ATOM 613 CA TYR A 56 -31.226 -10.153 -6.964 1.00 0.00 C ATOM 614 C TYR A 56 -31.546 -8.694 -6.652 1.00 0.00 C ATOM 615 O TYR A 56 -32.068 -8.378 -5.584 1.00 0.00 O ATOM 616 CB TYR A 56 -31.841 -11.055 -5.889 1.00 0.00 C ATOM 617 CG TYR A 56 -33.318 -10.760 -5.766 1.00 0.00 C ATOM 618 CD1 TYR A 56 -34.196 -11.141 -6.786 1.00 0.00 C ATOM 619 CD2 TYR A 56 -33.807 -10.101 -4.630 1.00 0.00 C ATOM 620 CE1 TYR A 56 -35.563 -10.866 -6.671 1.00 0.00 C ATOM 621 CE2 TYR A 56 -35.175 -9.827 -4.515 1.00 0.00 C ATOM 622 CZ TYR A 56 -36.052 -10.209 -5.536 1.00 0.00 C ATOM 623 OH TYR A 56 -37.401 -9.937 -5.422 1.00 0.00 O ATOM 0 H TYR A 56 -29.457 -10.859 -7.846 1.00 0.00 H new ATOM 0 HA TYR A 56 -31.649 -10.405 -7.936 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -31.689 -12.103 -6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -31.345 -10.888 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -33.819 -11.647 -7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -33.129 -9.805 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -36.241 -11.161 -7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -35.553 -9.321 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 56 -37.572 -9.478 -4.573 1.00 0.00 H new ATOM 633 N MET A 57 -31.232 -7.811 -7.594 1.00 0.00 N ATOM 634 CA MET A 57 -31.493 -6.391 -7.410 1.00 0.00 C ATOM 635 C MET A 57 -32.953 -6.159 -7.029 1.00 0.00 C ATOM 636 O MET A 57 -33.839 -6.918 -7.427 1.00 0.00 O ATOM 637 CB MET A 57 -31.174 -5.628 -8.697 1.00 0.00 C ATOM 638 CG MET A 57 -29.659 -5.597 -8.910 1.00 0.00 C ATOM 639 SD MET A 57 -28.898 -4.521 -7.669 1.00 0.00 S ATOM 640 CE MET A 57 -27.180 -4.756 -8.188 1.00 0.00 C ATOM 0 H MET A 57 -30.800 -8.052 -8.486 1.00 0.00 H new ATOM 0 HA MET A 57 -30.855 -6.027 -6.605 1.00 0.00 H new ATOM 0 HB2 MET A 57 -31.662 -6.107 -9.546 1.00 0.00 H new ATOM 0 HB3 MET A 57 -31.564 -4.612 -8.636 1.00 0.00 H new ATOM 0 HG2 MET A 57 -29.249 -6.604 -8.834 1.00 0.00 H new ATOM 0 HG3 MET A 57 -29.429 -5.234 -9.912 1.00 0.00 H new ATOM 0 HE1 MET A 57 -26.522 -4.171 -7.545 1.00 0.00 H new ATOM 0 HE2 MET A 57 -26.918 -5.811 -8.111 1.00 0.00 H new ATOM 0 HE3 MET A 57 -27.064 -4.428 -9.221 1.00 0.00 H new ATOM 650 N PRO A 58 -33.213 -5.126 -6.273 1.00 0.00 N ATOM 651 CA PRO A 58 -34.591 -4.786 -5.828 1.00 0.00 C ATOM 652 C PRO A 58 -35.626 -5.020 -6.922 1.00 0.00 C ATOM 653 O PRO A 58 -36.525 -5.848 -6.771 1.00 0.00 O ATOM 654 CB PRO A 58 -34.494 -3.295 -5.485 1.00 0.00 C ATOM 655 CG PRO A 58 -33.060 -3.064 -5.106 1.00 0.00 C ATOM 656 CD PRO A 58 -32.226 -4.171 -5.754 1.00 0.00 C ATOM 0 HA PRO A 58 -34.918 -5.407 -4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -34.780 -2.677 -6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -35.163 -3.037 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -32.727 -2.084 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -32.943 -3.081 -4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -31.598 -3.777 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -31.562 -4.642 -5.029 1.00 0.00 H new ATOM 664 N THR A 59 -35.499 -4.287 -8.026 1.00 0.00 N ATOM 665 CA THR A 59 -36.437 -4.421 -9.131 1.00 0.00 C ATOM 666 C THR A 59 -35.842 -5.260 -10.247 1.00 0.00 C ATOM 667 O THR A 59 -34.629 -5.456 -10.309 1.00 0.00 O ATOM 668 CB THR A 59 -36.801 -3.029 -9.670 1.00 0.00 C ATOM 669 OG1 THR A 59 -35.620 -2.371 -10.105 1.00 0.00 O ATOM 670 CG2 THR A 59 -37.473 -2.206 -8.571 1.00 0.00 C ATOM 0 H THR A 59 -34.760 -3.600 -8.176 1.00 0.00 H new ATOM 0 HA THR A 59 -37.334 -4.920 -8.764 1.00 0.00 H new ATOM 0 HB THR A 59 -37.491 -3.134 -10.507 1.00 0.00 H new ATOM 0 HG1 THR A 59 -35.771 -1.403 -10.117 1.00 0.00 H new ATOM 0 HG21 THR A 59 -37.729 -1.220 -8.959 1.00 0.00 H new ATOM 0 HG22 THR A 59 -38.380 -2.712 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 59 -36.790 -2.098 -7.728 1.00 0.00 H new ATOM 678 N GLU A 60 -36.702 -5.758 -11.132 1.00 0.00 N ATOM 679 CA GLU A 60 -36.245 -6.573 -12.251 1.00 0.00 C ATOM 680 C GLU A 60 -35.883 -5.686 -13.442 1.00 0.00 C ATOM 681 O GLU A 60 -35.272 -6.143 -14.405 1.00 0.00 O ATOM 682 CB GLU A 60 -37.334 -7.562 -12.662 1.00 0.00 C ATOM 683 CG GLU A 60 -37.536 -8.590 -11.546 1.00 0.00 C ATOM 684 CD GLU A 60 -38.664 -9.546 -11.915 1.00 0.00 C ATOM 685 OE1 GLU A 60 -39.168 -9.438 -13.022 1.00 0.00 O ATOM 686 OE2 GLU A 60 -39.011 -10.370 -11.086 1.00 0.00 O ATOM 0 H GLU A 60 -37.711 -5.612 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 60 -35.359 -7.125 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -38.267 -7.032 -12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -37.054 -8.064 -13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -36.614 -9.148 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -37.770 -8.082 -10.611 1.00 0.00 H new ATOM 693 N MET A 61 -36.270 -4.418 -13.367 1.00 0.00 N ATOM 694 CA MET A 61 -35.983 -3.470 -14.440 1.00 0.00 C ATOM 695 C MET A 61 -34.527 -3.022 -14.378 1.00 0.00 C ATOM 696 O MET A 61 -33.933 -2.665 -15.392 1.00 0.00 O ATOM 697 CB MET A 61 -36.907 -2.262 -14.339 1.00 0.00 C ATOM 698 CG MET A 61 -38.349 -2.694 -14.616 1.00 0.00 C ATOM 699 SD MET A 61 -39.445 -1.260 -14.492 1.00 0.00 S ATOM 700 CE MET A 61 -39.325 -0.733 -16.218 1.00 0.00 C ATOM 0 H MET A 61 -36.781 -4.022 -12.578 1.00 0.00 H new ATOM 0 HA MET A 61 -36.156 -3.966 -15.395 1.00 0.00 H new ATOM 0 HB2 MET A 61 -36.834 -1.818 -13.346 1.00 0.00 H new ATOM 0 HB3 MET A 61 -36.602 -1.497 -15.054 1.00 0.00 H new ATOM 0 HG2 MET A 61 -38.423 -3.136 -15.610 1.00 0.00 H new ATOM 0 HG3 MET A 61 -38.653 -3.460 -13.903 1.00 0.00 H new ATOM 0 HE1 MET A 61 -39.937 0.156 -16.370 1.00 0.00 H new ATOM 0 HE2 MET A 61 -38.286 -0.504 -16.457 1.00 0.00 H new ATOM 0 HE3 MET A 61 -39.679 -1.533 -16.868 1.00 0.00 H new ATOM 710 N GLU A 62 -33.962 -3.030 -13.173 1.00 0.00 N ATOM 711 CA GLU A 62 -32.571 -2.634 -12.991 1.00 0.00 C ATOM 712 C GLU A 62 -31.639 -3.662 -13.624 1.00 0.00 C ATOM 713 O GLU A 62 -30.631 -3.308 -14.235 1.00 0.00 O ATOM 714 CB GLU A 62 -32.255 -2.503 -11.502 1.00 0.00 C ATOM 715 CG GLU A 62 -32.895 -1.225 -10.954 1.00 0.00 C ATOM 716 CD GLU A 62 -32.731 -1.167 -9.441 1.00 0.00 C ATOM 717 OE1 GLU A 62 -32.141 -2.084 -8.891 1.00 0.00 O ATOM 718 OE2 GLU A 62 -33.202 -0.209 -8.849 1.00 0.00 O ATOM 0 H GLU A 62 -34.442 -3.304 -12.316 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.418 -1.671 -13.478 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -32.632 -3.371 -10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -31.176 -2.476 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -32.431 -0.351 -11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -33.953 -1.198 -11.215 1.00 0.00 H new ATOM 725 N LEU A 63 -31.983 -4.933 -13.473 1.00 0.00 N ATOM 726 CA LEU A 63 -31.172 -6.008 -14.042 1.00 0.00 C ATOM 727 C LEU A 63 -31.445 -6.150 -15.532 1.00 0.00 C ATOM 728 O LEU A 63 -30.658 -6.752 -16.262 1.00 0.00 O ATOM 729 CB LEU A 63 -31.488 -7.330 -13.333 1.00 0.00 C ATOM 730 CG LEU A 63 -30.754 -7.379 -11.989 1.00 0.00 C ATOM 731 CD1 LEU A 63 -31.500 -8.308 -11.029 1.00 0.00 C ATOM 732 CD2 LEU A 63 -29.332 -7.909 -12.204 1.00 0.00 C ATOM 0 H LEU A 63 -32.811 -5.247 -12.966 1.00 0.00 H new ATOM 0 HA LEU A 63 -30.120 -5.761 -13.899 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -32.563 -7.422 -13.176 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -31.183 -8.171 -13.956 1.00 0.00 H new ATOM 0 HG LEU A 63 -30.712 -6.376 -11.564 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -30.976 -8.341 -10.074 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -32.512 -7.935 -10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.544 -9.311 -11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -28.809 -7.944 -11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.378 -8.911 -12.630 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.797 -7.249 -12.887 1.00 0.00 H new ATOM 744 N ILE A 64 -32.567 -5.597 -15.980 1.00 0.00 N ATOM 745 CA ILE A 64 -32.936 -5.663 -17.385 1.00 0.00 C ATOM 746 C ILE A 64 -32.493 -4.404 -18.119 1.00 0.00 C ATOM 747 O ILE A 64 -32.040 -4.466 -19.262 1.00 0.00 O ATOM 748 CB ILE A 64 -34.450 -5.840 -17.520 1.00 0.00 C ATOM 749 CG1 ILE A 64 -34.848 -7.235 -17.031 1.00 0.00 C ATOM 750 CG2 ILE A 64 -34.859 -5.678 -18.985 1.00 0.00 C ATOM 751 CD1 ILE A 64 -36.365 -7.298 -16.843 1.00 0.00 C ATOM 0 H ILE A 64 -33.234 -5.100 -15.390 1.00 0.00 H new ATOM 0 HA ILE A 64 -32.432 -6.519 -17.834 1.00 0.00 H new ATOM 0 HB ILE A 64 -34.956 -5.085 -16.918 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -34.529 -7.989 -17.751 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -34.345 -7.459 -16.090 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -35.938 -5.805 -19.078 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.579 -4.684 -19.333 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.352 -6.430 -19.590 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -36.648 -8.292 -16.495 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.672 -6.555 -16.107 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.858 -7.093 -17.793 1.00 0.00 H new ATOM 763 N GLU A 65 -32.644 -3.262 -17.459 1.00 0.00 N ATOM 764 CA GLU A 65 -32.259 -1.993 -18.061 1.00 0.00 C ATOM 765 C GLU A 65 -30.740 -1.883 -18.153 1.00 0.00 C ATOM 766 O GLU A 65 -30.204 -1.401 -19.145 1.00 0.00 O ATOM 767 CB GLU A 65 -32.808 -0.829 -17.226 1.00 0.00 C ATOM 768 CG GLU A 65 -32.630 0.481 -17.995 1.00 0.00 C ATOM 769 CD GLU A 65 -33.576 0.513 -19.191 1.00 0.00 C ATOM 770 OE1 GLU A 65 -34.423 -0.361 -19.276 1.00 0.00 O ATOM 771 OE2 GLU A 65 -33.444 1.416 -20.002 1.00 0.00 O ATOM 0 H GLU A 65 -33.026 -3.189 -16.516 1.00 0.00 H new ATOM 0 HA GLU A 65 -32.677 -1.948 -19.066 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -33.863 -0.992 -17.005 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -32.286 -0.776 -16.270 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -32.830 1.328 -17.339 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -31.598 0.577 -18.333 1.00 0.00 H new ATOM 778 N LEU A 66 -30.058 -2.332 -17.104 1.00 0.00 N ATOM 779 CA LEU A 66 -28.603 -2.280 -17.073 1.00 0.00 C ATOM 780 C LEU A 66 -28.004 -3.311 -18.022 1.00 0.00 C ATOM 781 O LEU A 66 -27.049 -3.030 -18.740 1.00 0.00 O ATOM 782 CB LEU A 66 -28.103 -2.538 -15.650 1.00 0.00 C ATOM 783 CG LEU A 66 -28.526 -1.382 -14.740 1.00 0.00 C ATOM 784 CD1 LEU A 66 -28.191 -1.729 -13.287 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.781 -0.108 -15.146 1.00 0.00 C ATOM 0 H LEU A 66 -30.487 -2.733 -16.270 1.00 0.00 H new ATOM 0 HA LEU A 66 -28.288 -1.287 -17.395 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -28.510 -3.477 -15.275 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -27.018 -2.638 -15.648 1.00 0.00 H new ATOM 0 HG LEU A 66 -29.599 -1.219 -14.838 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -28.492 -0.907 -12.638 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -28.725 -2.634 -12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -27.118 -1.894 -13.190 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -28.084 0.713 -14.497 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -26.707 -0.269 -15.051 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -28.021 0.140 -16.180 1.00 0.00 H new ATOM 797 N SER A 67 -28.579 -4.513 -18.013 1.00 0.00 N ATOM 798 CA SER A 67 -28.088 -5.579 -18.872 1.00 0.00 C ATOM 799 C SER A 67 -28.220 -5.193 -20.339 1.00 0.00 C ATOM 800 O SER A 67 -27.220 -5.044 -21.043 1.00 0.00 O ATOM 801 CB SER A 67 -28.886 -6.862 -18.612 1.00 0.00 C ATOM 802 OG SER A 67 -28.723 -7.747 -19.714 1.00 0.00 O ATOM 0 H SER A 67 -29.375 -4.767 -17.427 1.00 0.00 H new ATOM 0 HA SER A 67 -27.035 -5.746 -18.645 1.00 0.00 H new ATOM 0 HB2 SER A 67 -28.542 -7.338 -17.694 1.00 0.00 H new ATOM 0 HB3 SER A 67 -29.941 -6.626 -18.473 1.00 0.00 H new ATOM 0 HG SER A 67 -29.231 -8.569 -19.551 1.00 0.00 H new ATOM 808 N GLN A 68 -29.456 -5.018 -20.792 1.00 0.00 N ATOM 809 CA GLN A 68 -29.707 -4.651 -22.182 1.00 0.00 C ATOM 810 C GLN A 68 -28.862 -3.447 -22.576 1.00 0.00 C ATOM 811 O GLN A 68 -28.438 -3.326 -23.726 1.00 0.00 O ATOM 812 CB GLN A 68 -31.188 -4.335 -22.382 1.00 0.00 C ATOM 813 CG GLN A 68 -31.456 -4.060 -23.862 1.00 0.00 C ATOM 814 CD GLN A 68 -31.182 -5.314 -24.685 1.00 0.00 C ATOM 815 OE1 GLN A 68 -31.489 -6.422 -24.249 1.00 0.00 O ATOM 816 NE2 GLN A 68 -30.611 -5.203 -25.853 1.00 0.00 N ATOM 0 H GLN A 68 -30.295 -5.123 -20.222 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.433 -5.493 -22.817 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.798 -5.171 -22.040 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -31.470 -3.469 -21.783 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -32.490 -3.744 -24.000 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -30.824 -3.243 -24.209 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -30.358 -4.282 -26.211 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -30.418 -6.037 -26.408 1.00 0.00 H new ATOM 825 N GLN A 69 -28.620 -2.557 -21.614 1.00 0.00 N ATOM 826 CA GLN A 69 -27.806 -1.373 -21.867 1.00 0.00 C ATOM 827 C GLN A 69 -26.378 -1.788 -22.224 1.00 0.00 C ATOM 828 O GLN A 69 -25.776 -1.238 -23.147 1.00 0.00 O ATOM 829 CB GLN A 69 -27.797 -0.476 -20.638 1.00 0.00 C ATOM 830 CG GLN A 69 -26.946 0.763 -20.921 1.00 0.00 C ATOM 831 CD GLN A 69 -27.557 1.568 -22.064 1.00 0.00 C ATOM 832 OE1 GLN A 69 -28.780 1.665 -22.170 1.00 0.00 O ATOM 833 NE2 GLN A 69 -26.774 2.149 -22.930 1.00 0.00 N ATOM 0 H GLN A 69 -28.974 -2.634 -20.660 1.00 0.00 H new ATOM 0 HA GLN A 69 -28.233 -0.821 -22.704 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -28.815 -0.181 -20.382 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -27.397 -1.018 -19.781 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -26.880 1.381 -20.025 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -25.930 0.465 -21.178 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -25.762 2.066 -22.838 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -27.174 2.686 -23.699 1.00 0.00 H new ATOM 842 N ILE A 70 -25.844 -2.752 -21.485 1.00 0.00 N ATOM 843 CA ILE A 70 -24.496 -3.245 -21.740 1.00 0.00 C ATOM 844 C ILE A 70 -24.427 -3.847 -23.142 1.00 0.00 C ATOM 845 O ILE A 70 -23.454 -3.639 -23.871 1.00 0.00 O ATOM 846 CB ILE A 70 -24.115 -4.301 -20.704 1.00 0.00 C ATOM 847 CG1 ILE A 70 -23.913 -3.627 -19.345 1.00 0.00 C ATOM 848 CG2 ILE A 70 -22.822 -4.998 -21.129 1.00 0.00 C ATOM 849 CD1 ILE A 70 -23.834 -4.695 -18.253 1.00 0.00 C ATOM 0 H ILE A 70 -26.321 -3.207 -20.707 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.795 -2.414 -21.668 1.00 0.00 H new ATOM 0 HB ILE A 70 -24.912 -5.041 -20.629 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -22.999 -3.033 -19.354 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -24.736 -2.943 -19.140 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.554 -5.750 -20.387 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -22.969 -5.478 -22.097 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.021 -4.263 -21.206 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -23.690 -4.215 -17.285 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -24.760 -5.270 -18.239 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -22.996 -5.362 -18.456 1.00 0.00 H new ATOM 861 N ASN A 71 -25.455 -4.604 -23.505 1.00 0.00 N ATOM 862 CA ASN A 71 -25.488 -5.242 -24.819 1.00 0.00 C ATOM 863 C ASN A 71 -25.412 -4.187 -25.921 1.00 0.00 C ATOM 864 O ASN A 71 -24.668 -4.347 -26.889 1.00 0.00 O ATOM 865 CB ASN A 71 -26.794 -6.033 -24.974 1.00 0.00 C ATOM 866 CG ASN A 71 -26.721 -7.319 -24.157 1.00 0.00 C ATOM 867 OD1 ASN A 71 -26.040 -8.265 -24.548 1.00 0.00 O ATOM 868 ND2 ASN A 71 -27.385 -7.406 -23.038 1.00 0.00 N ATOM 0 H ASN A 71 -26.268 -4.791 -22.918 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.634 -5.914 -24.903 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -27.638 -5.428 -24.642 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -26.965 -6.268 -26.025 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -27.340 -8.261 -22.484 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -27.949 -6.619 -22.717 1.00 0.00 H new ATOM 875 N MET A 72 -26.163 -3.112 -25.757 1.00 0.00 N ATOM 876 CA MET A 72 -26.168 -2.033 -26.744 1.00 0.00 C ATOM 877 C MET A 72 -24.771 -1.436 -26.884 1.00 0.00 C ATOM 878 O MET A 72 -24.329 -1.120 -27.989 1.00 0.00 O ATOM 879 CB MET A 72 -27.154 -0.941 -26.323 1.00 0.00 C ATOM 880 CG MET A 72 -27.198 0.149 -27.396 1.00 0.00 C ATOM 881 SD MET A 72 -28.387 1.425 -26.913 1.00 0.00 S ATOM 882 CE MET A 72 -29.889 0.513 -27.349 1.00 0.00 C ATOM 0 H MET A 72 -26.776 -2.958 -24.956 1.00 0.00 H new ATOM 0 HA MET A 72 -26.476 -2.444 -27.705 1.00 0.00 H new ATOM 0 HB2 MET A 72 -28.147 -1.368 -26.182 1.00 0.00 H new ATOM 0 HB3 MET A 72 -26.852 -0.513 -25.367 1.00 0.00 H new ATOM 0 HG2 MET A 72 -26.209 0.589 -27.524 1.00 0.00 H new ATOM 0 HG3 MET A 72 -27.481 -0.282 -28.356 1.00 0.00 H new ATOM 0 HE1 MET A 72 -30.445 1.068 -28.104 1.00 0.00 H new ATOM 0 HE2 MET A 72 -29.618 -0.466 -27.744 1.00 0.00 H new ATOM 0 HE3 MET A 72 -30.509 0.387 -26.461 1.00 0.00 H new ATOM 892 N ASN A 73 -24.084 -1.285 -25.758 1.00 0.00 N ATOM 893 CA ASN A 73 -22.739 -0.720 -25.769 1.00 0.00 C ATOM 894 C ASN A 73 -21.802 -1.594 -26.588 1.00 0.00 C ATOM 895 O ASN A 73 -20.991 -1.089 -27.370 1.00 0.00 O ATOM 896 CB ASN A 73 -22.209 -0.612 -24.336 1.00 0.00 C ATOM 897 CG ASN A 73 -20.802 -0.025 -24.344 1.00 0.00 C ATOM 898 OD1 ASN A 73 -20.192 0.116 -25.404 1.00 0.00 O ATOM 899 ND2 ASN A 73 -20.245 0.326 -23.218 1.00 0.00 N ATOM 0 H ASN A 73 -24.431 -1.543 -24.834 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.784 0.272 -26.219 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.871 0.017 -23.741 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -22.199 -1.596 -23.868 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -19.303 0.718 -23.215 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -20.751 0.209 -22.340 1.00 0.00 H new ATOM 906 N LEU A 74 -21.917 -2.909 -26.418 1.00 0.00 N ATOM 907 CA LEU A 74 -21.069 -3.844 -27.153 1.00 0.00 C ATOM 908 C LEU A 74 -21.921 -4.850 -27.916 1.00 0.00 C ATOM 909 O LEU A 74 -22.136 -4.708 -29.121 1.00 0.00 O ATOM 910 CB LEU A 74 -20.152 -4.586 -26.177 1.00 0.00 C ATOM 911 CG LEU A 74 -19.339 -3.573 -25.369 1.00 0.00 C ATOM 912 CD1 LEU A 74 -18.526 -4.307 -24.301 1.00 0.00 C ATOM 913 CD2 LEU A 74 -18.389 -2.817 -26.303 1.00 0.00 C ATOM 0 H LEU A 74 -22.583 -3.349 -25.783 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.466 -3.281 -27.866 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.745 -5.209 -25.507 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.484 -5.251 -26.724 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.015 -2.866 -24.889 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -17.947 -3.585 -23.725 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -19.201 -4.844 -23.635 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -17.850 -5.015 -24.781 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -17.810 -2.095 -25.727 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -17.713 -3.524 -26.784 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -18.967 -2.293 -27.064 1.00 0.00 H new ATOM 925 N GLY A 75 -22.405 -5.867 -27.211 1.00 0.00 N ATOM 926 CA GLY A 75 -23.233 -6.894 -27.836 1.00 0.00 C ATOM 927 C GLY A 75 -23.194 -8.188 -27.030 1.00 0.00 C ATOM 928 O GLY A 75 -23.007 -9.271 -27.586 1.00 0.00 O ATOM 0 H GLY A 75 -22.240 -6.003 -26.214 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -24.261 -6.540 -27.914 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.882 -7.082 -28.851 1.00 0.00 H new ATOM 932 N GLY A 76 -23.379 -8.069 -25.719 1.00 0.00 N ATOM 933 CA GLY A 76 -23.362 -9.237 -24.846 1.00 0.00 C ATOM 934 C GLY A 76 -21.933 -9.625 -24.484 1.00 0.00 C ATOM 935 O GLY A 76 -21.449 -10.689 -24.871 1.00 0.00 O ATOM 0 H GLY A 76 -23.541 -7.183 -25.241 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.927 -9.026 -23.938 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -23.856 -10.073 -25.341 1.00 0.00 H new ATOM 939 N HIS A 77 -21.257 -8.752 -23.740 1.00 0.00 N ATOM 940 CA HIS A 77 -19.883 -9.016 -23.330 1.00 0.00 C ATOM 941 C HIS A 77 -19.595 -8.376 -21.980 1.00 0.00 C ATOM 942 O HIS A 77 -19.620 -7.151 -21.842 1.00 0.00 O ATOM 943 CB HIS A 77 -18.914 -8.461 -24.378 1.00 0.00 C ATOM 944 CG HIS A 77 -19.163 -9.137 -25.698 1.00 0.00 C ATOM 945 ND1 HIS A 77 -18.798 -10.452 -25.937 1.00 0.00 N ATOM 946 CD2 HIS A 77 -19.741 -8.691 -26.862 1.00 0.00 C ATOM 947 CE1 HIS A 77 -19.156 -10.751 -27.199 1.00 0.00 C ATOM 948 NE2 HIS A 77 -19.735 -9.711 -27.808 1.00 0.00 N ATOM 0 H HIS A 77 -21.636 -7.864 -23.412 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.748 -10.094 -23.242 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -19.047 -7.384 -24.478 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.884 -8.627 -24.061 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -20.139 -7.699 -27.019 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -18.995 -11.713 -27.663 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -20.095 -9.674 -28.762 1.00 0.00 H new ATOM 956 N VAL A 78 -19.317 -9.208 -20.980 1.00 0.00 N ATOM 957 CA VAL A 78 -19.019 -8.710 -19.638 1.00 0.00 C ATOM 958 C VAL A 78 -17.796 -9.422 -19.074 1.00 0.00 C ATOM 959 O VAL A 78 -17.753 -10.652 -19.009 1.00 0.00 O ATOM 960 CB VAL A 78 -20.219 -8.926 -18.724 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.807 -8.681 -17.269 1.00 0.00 C ATOM 962 CG2 VAL A 78 -21.333 -7.950 -19.106 1.00 0.00 C ATOM 0 H VAL A 78 -19.292 -10.224 -21.071 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.807 -7.642 -19.697 1.00 0.00 H new ATOM 0 HB VAL A 78 -20.576 -9.950 -18.833 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.666 -8.836 -16.617 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -19.013 -9.375 -16.994 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.448 -7.658 -17.160 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -22.192 -8.104 -18.453 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.973 -6.927 -18.997 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -21.629 -8.123 -20.141 1.00 0.00 H new ATOM 972 N ASP A 79 -16.805 -8.643 -18.643 1.00 0.00 N ATOM 973 CA ASP A 79 -15.589 -9.210 -18.084 1.00 0.00 C ATOM 974 C ASP A 79 -15.658 -9.261 -16.569 1.00 0.00 C ATOM 975 O ASP A 79 -16.294 -8.415 -15.939 1.00 0.00 O ATOM 976 CB ASP A 79 -14.379 -8.366 -18.514 1.00 0.00 C ATOM 977 CG ASP A 79 -14.124 -8.539 -20.008 1.00 0.00 C ATOM 978 OD1 ASP A 79 -14.773 -9.379 -20.606 1.00 0.00 O ATOM 979 OD2 ASP A 79 -13.279 -7.830 -20.529 1.00 0.00 O ATOM 0 H ASP A 79 -16.824 -7.624 -18.672 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.483 -10.228 -18.459 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.560 -7.315 -18.287 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.497 -8.667 -17.949 1.00 0.00 H new ATOM 984 N PHE A 80 -15.001 -10.257 -15.979 1.00 0.00 N ATOM 985 CA PHE A 80 -14.998 -10.400 -14.528 1.00 0.00 C ATOM 986 C PHE A 80 -14.847 -9.033 -13.863 1.00 0.00 C ATOM 987 O PHE A 80 -15.303 -8.827 -12.739 1.00 0.00 O ATOM 988 CB PHE A 80 -13.847 -11.312 -14.095 1.00 0.00 C ATOM 989 CG PHE A 80 -13.745 -11.311 -12.587 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.827 -11.753 -11.815 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.574 -10.868 -11.962 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.735 -11.751 -10.418 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.482 -10.869 -10.565 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.562 -11.312 -9.795 1.00 0.00 C ATOM 0 H PHE A 80 -14.469 -10.970 -16.479 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.945 -10.843 -14.219 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -14.015 -12.326 -14.458 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.911 -10.967 -14.534 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.731 -12.095 -12.297 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.741 -10.525 -12.558 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.570 -12.088 -9.821 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.578 -10.528 -10.083 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.490 -11.315 -8.717 1.00 0.00 H new ATOM 1004 N ASP A 81 -14.210 -8.109 -14.567 1.00 0.00 N ATOM 1005 CA ASP A 81 -14.013 -6.760 -14.038 1.00 0.00 C ATOM 1006 C ASP A 81 -15.332 -5.997 -14.039 1.00 0.00 C ATOM 1007 O ASP A 81 -15.737 -5.436 -13.024 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.983 -6.009 -14.882 1.00 0.00 C ATOM 1009 CG ASP A 81 -12.666 -4.662 -14.239 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -13.058 -4.464 -13.101 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -12.035 -3.849 -14.895 1.00 0.00 O ATOM 0 H ASP A 81 -13.822 -8.262 -15.498 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.647 -6.838 -13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.073 -6.602 -14.972 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.367 -5.859 -15.891 1.00 0.00 H new ATOM 1016 N ASP A 82 -16.004 -5.989 -15.187 1.00 0.00 N ATOM 1017 CA ASP A 82 -17.286 -5.304 -15.308 1.00 0.00 C ATOM 1018 C ASP A 82 -18.317 -5.951 -14.385 1.00 0.00 C ATOM 1019 O ASP A 82 -19.139 -5.267 -13.782 1.00 0.00 O ATOM 1020 CB ASP A 82 -17.777 -5.359 -16.754 1.00 0.00 C ATOM 1021 CG ASP A 82 -17.157 -4.223 -17.562 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -16.493 -3.391 -16.965 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -17.359 -4.198 -18.762 1.00 0.00 O ATOM 0 H ASP A 82 -15.684 -6.446 -16.041 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.154 -4.262 -15.017 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.514 -6.318 -17.199 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.864 -5.283 -16.780 1.00 0.00 H new ATOM 1028 N PHE A 83 -18.263 -7.273 -14.285 1.00 0.00 N ATOM 1029 CA PHE A 83 -19.179 -8.003 -13.422 1.00 0.00 C ATOM 1030 C PHE A 83 -18.991 -7.567 -11.969 1.00 0.00 C ATOM 1031 O PHE A 83 -19.963 -7.380 -11.237 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.933 -9.508 -13.548 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.592 -10.231 -12.393 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.971 -10.123 -12.197 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.814 -10.997 -11.515 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.578 -10.787 -11.124 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.420 -11.660 -10.444 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.802 -11.557 -10.247 1.00 0.00 C ATOM 0 H PHE A 83 -17.597 -7.859 -14.789 1.00 0.00 H new ATOM 0 HA PHE A 83 -20.201 -7.783 -13.730 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.332 -9.874 -14.494 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.862 -9.712 -13.554 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.568 -9.528 -12.872 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.747 -11.075 -11.666 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.644 -10.706 -10.972 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.821 -12.252 -9.768 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.270 -12.070 -9.420 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.738 -7.439 -11.558 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.433 -7.029 -10.196 1.00 0.00 C ATOM 1050 C VAL A 84 -17.721 -5.545 -9.996 1.00 0.00 C ATOM 1051 O VAL A 84 -18.305 -5.145 -8.992 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.960 -7.313 -9.881 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.568 -6.622 -8.572 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.752 -8.825 -9.737 1.00 0.00 C ATOM 0 H VAL A 84 -16.921 -7.612 -12.144 1.00 0.00 H new ATOM 0 HA VAL A 84 -18.068 -7.600 -9.519 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.339 -6.932 -10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.520 -6.827 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.715 -5.546 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.190 -7.000 -7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.705 -9.029 -9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.376 -9.203 -8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.027 -9.320 -10.668 1.00 0.00 H new ATOM 1064 N GLU A 85 -17.294 -4.735 -10.959 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.496 -3.297 -10.870 1.00 0.00 C ATOM 1066 C GLU A 85 -18.970 -2.963 -10.721 1.00 0.00 C ATOM 1067 O GLU A 85 -19.363 -2.224 -9.816 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.937 -2.611 -12.124 1.00 0.00 C ATOM 1069 CG GLU A 85 -15.409 -2.565 -12.050 1.00 0.00 C ATOM 1070 CD GLU A 85 -14.840 -2.008 -13.351 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -15.627 -1.603 -14.192 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -13.628 -1.997 -13.487 1.00 0.00 O ATOM 0 H GLU A 85 -16.811 -5.047 -11.801 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.968 -2.934 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.251 -3.152 -13.017 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.337 -1.600 -12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.096 -1.943 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.015 -3.565 -11.870 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.786 -3.517 -11.611 1.00 0.00 N ATOM 1080 CA LEU A 86 -21.222 -3.272 -11.561 1.00 0.00 C ATOM 1081 C LEU A 86 -21.825 -3.828 -10.284 1.00 0.00 C ATOM 1082 O LEU A 86 -22.582 -3.148 -9.594 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.901 -3.919 -12.778 1.00 0.00 C ATOM 1084 CG LEU A 86 -21.940 -2.918 -13.941 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -22.915 -1.782 -13.601 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -20.537 -2.341 -14.166 1.00 0.00 C ATOM 0 H LEU A 86 -19.483 -4.131 -12.367 1.00 0.00 H new ATOM 0 HA LEU A 86 -21.387 -2.195 -11.578 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.358 -4.816 -13.076 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.913 -4.230 -12.519 1.00 0.00 H new ATOM 0 HG LEU A 86 -22.272 -3.423 -14.848 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -22.945 -1.069 -14.425 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.912 -2.194 -13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -22.582 -1.275 -12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -20.564 -1.630 -14.992 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -20.203 -1.833 -13.261 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -19.845 -3.149 -14.405 1.00 0.00 H new ATOM 1098 N MET A 87 -21.471 -5.068 -9.970 1.00 0.00 N ATOM 1099 CA MET A 87 -21.989 -5.717 -8.772 1.00 0.00 C ATOM 1100 C MET A 87 -21.640 -4.891 -7.538 1.00 0.00 C ATOM 1101 O MET A 87 -22.481 -4.688 -6.659 1.00 0.00 O ATOM 1102 CB MET A 87 -21.381 -7.119 -8.635 1.00 0.00 C ATOM 1103 CG MET A 87 -21.997 -7.828 -7.428 1.00 0.00 C ATOM 1104 SD MET A 87 -23.765 -8.097 -7.724 1.00 0.00 S ATOM 1105 CE MET A 87 -23.785 -9.876 -7.397 1.00 0.00 C ATOM 0 H MET A 87 -20.833 -5.640 -10.523 1.00 0.00 H new ATOM 0 HA MET A 87 -23.073 -5.798 -8.856 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.564 -7.696 -9.541 1.00 0.00 H new ATOM 0 HB3 MET A 87 -20.300 -7.048 -8.515 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.496 -8.781 -7.258 1.00 0.00 H new ATOM 0 HG3 MET A 87 -21.855 -7.229 -6.529 1.00 0.00 H new ATOM 0 HE1 MET A 87 -24.798 -10.258 -7.524 1.00 0.00 H new ATOM 0 HE2 MET A 87 -23.116 -10.382 -8.094 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.453 -10.062 -6.376 1.00 0.00 H new ATOM 1115 N GLY A 88 -20.401 -4.418 -7.477 1.00 0.00 N ATOM 1116 CA GLY A 88 -19.953 -3.616 -6.348 1.00 0.00 C ATOM 1117 C GLY A 88 -20.192 -4.345 -5.029 1.00 0.00 C ATOM 1118 O GLY A 88 -20.603 -5.505 -5.016 1.00 0.00 O ATOM 0 H GLY A 88 -19.692 -4.576 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.892 -3.391 -6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -20.482 -2.663 -6.342 1.00 0.00 H new ATOM 1122 N PRO A 89 -19.941 -3.686 -3.931 1.00 0.00 N ATOM 1123 CA PRO A 89 -20.132 -4.273 -2.573 1.00 0.00 C ATOM 1124 C PRO A 89 -21.609 -4.443 -2.224 1.00 0.00 C ATOM 1125 O PRO A 89 -22.474 -3.803 -2.818 1.00 0.00 O ATOM 1126 CB PRO A 89 -19.452 -3.271 -1.635 1.00 0.00 C ATOM 1127 CG PRO A 89 -19.459 -1.969 -2.367 1.00 0.00 C ATOM 1128 CD PRO A 89 -19.451 -2.297 -3.863 1.00 0.00 C ATOM 0 HA PRO A 89 -19.709 -5.275 -2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -19.989 -3.192 -0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -18.435 -3.583 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -20.341 -1.384 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -18.588 -1.371 -2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -20.096 -1.619 -4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.450 -2.207 -4.285 1.00 0.00 H new ATOM 1136 N LYS A 90 -21.883 -5.303 -1.249 1.00 0.00 N ATOM 1137 CA LYS A 90 -23.258 -5.550 -0.831 1.00 0.00 C ATOM 1138 C LYS A 90 -23.936 -4.242 -0.432 1.00 0.00 C ATOM 1139 O LYS A 90 -25.162 -4.172 -0.335 1.00 0.00 O ATOM 1140 CB LYS A 90 -23.271 -6.512 0.359 1.00 0.00 C ATOM 1141 CG LYS A 90 -22.556 -7.810 -0.027 1.00 0.00 C ATOM 1142 CD LYS A 90 -23.383 -8.562 -1.070 1.00 0.00 C ATOM 1143 CE LYS A 90 -22.917 -10.019 -1.140 1.00 0.00 C ATOM 1144 NZ LYS A 90 -21.513 -10.068 -1.639 1.00 0.00 N ATOM 0 H LYS A 90 -21.179 -5.836 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 90 -23.802 -5.991 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -22.778 -6.054 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -24.298 -6.724 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -21.566 -7.587 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -22.412 -8.433 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -24.441 -8.520 -0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -23.275 -8.088 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -22.980 -10.480 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -23.569 -10.589 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -21.242 -11.056 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -21.440 -9.525 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -20.877 -9.657 -0.927 1.00 0.00 H new ATOM 1158 N LEU A 91 -23.131 -3.210 -0.203 1.00 0.00 N ATOM 1159 CA LEU A 91 -23.663 -1.913 0.183 1.00 0.00 C ATOM 1160 C LEU A 91 -24.260 -1.191 -1.022 1.00 0.00 C ATOM 1161 O LEU A 91 -24.202 0.028 -1.047 1.00 0.00 O ATOM 1162 CB LEU A 91 -22.553 -1.054 0.795 1.00 0.00 C ATOM 1163 CG LEU A 91 -23.168 0.005 1.715 1.00 0.00 C ATOM 1164 CD1 LEU A 91 -23.367 -0.584 3.114 1.00 0.00 C ATOM 1165 CD2 LEU A 91 -22.237 1.215 1.798 1.00 0.00 C ATOM 0 H LEU A 91 -22.114 -3.248 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 91 -24.450 -2.073 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -21.862 -1.682 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -21.975 -0.573 0.006 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.132 0.317 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.805 0.171 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -24.034 -1.444 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.404 -0.898 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -22.676 1.968 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -21.272 0.905 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -22.099 1.637 0.802 1.00 0.00 H new TER 1177 LEU A 91 HETATM 1178 CA CA A 301 -15.384 -18.982 -19.824 1.00 0.00 CA