USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.978 K(o=0.97,f=-0.0048) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00908 X(o=0.97,f=0.96) USER MOD Single : A 1 SER N :NH3+ -97:sc= 0.0476 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00634 USER MOD Single : A 2 MET CE :methyl -178:sc= 0 (180deg=-0.00799) USER MOD Single : A 10 SER OG : rot 144:sc= 1.01 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00103 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 2.26 K(o=2.3,f=-5.6!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.42 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.263 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.53 USER MOD Single : A 61 MET CE :methyl 175:sc= 0 (180deg=-0.0349) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 138:sc= 1.26 (180deg=0.247) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.13) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.963 5.674 -18.528 1.00 0.00 N ATOM 2 CA SER A 1 7.923 6.706 -18.753 1.00 0.00 C ATOM 3 C SER A 1 7.043 6.366 -19.955 1.00 0.00 C ATOM 4 O SER A 1 7.479 5.659 -20.866 1.00 0.00 O ATOM 5 CB SER A 1 8.552 8.091 -18.935 1.00 0.00 C ATOM 6 OG SER A 1 9.371 8.385 -17.812 1.00 0.00 O ATOM 0 H1 SER A 1 8.639 5.008 -17.798 1.00 0.00 H new ATOM 0 H2 SER A 1 9.138 5.159 -19.414 1.00 0.00 H new ATOM 0 H3 SER A 1 9.843 6.131 -18.213 1.00 0.00 H new ATOM 0 HA SER A 1 7.291 6.723 -17.865 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.145 8.117 -19.849 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.773 8.846 -19.039 1.00 0.00 H new ATOM 0 HG SER A 1 9.777 9.270 -17.926 1.00 0.00 H new ATOM 14 N MET A 2 5.803 6.870 -19.975 1.00 0.00 N ATOM 15 CA MET A 2 4.824 6.699 -21.067 1.00 0.00 C ATOM 16 C MET A 2 4.103 8.021 -21.390 1.00 0.00 C ATOM 17 O MET A 2 4.007 8.911 -20.538 1.00 0.00 O ATOM 18 CB MET A 2 3.792 5.616 -20.699 1.00 0.00 C ATOM 19 CG MET A 2 4.410 4.218 -20.563 1.00 0.00 C ATOM 20 SD MET A 2 3.215 2.872 -20.314 1.00 0.00 S ATOM 21 CE MET A 2 2.645 3.235 -18.628 1.00 0.00 C ATOM 0 H MET A 2 5.436 7.429 -19.205 1.00 0.00 H new ATOM 0 HA MET A 2 5.373 6.386 -21.955 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.309 5.886 -19.760 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.014 5.590 -21.462 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.992 4.006 -21.460 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.107 4.225 -19.725 1.00 0.00 H new ATOM 0 HE1 MET A 2 1.931 2.474 -18.314 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.497 3.236 -17.948 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.165 4.213 -18.609 1.00 0.00 H new ATOM 31 N ALA A 3 3.576 8.146 -22.611 1.00 0.00 N ATOM 32 CA ALA A 3 2.776 9.294 -23.044 1.00 0.00 C ATOM 33 C ALA A 3 1.367 9.311 -22.407 1.00 0.00 C ATOM 34 O ALA A 3 0.802 8.266 -22.072 1.00 0.00 O ATOM 35 CB ALA A 3 2.710 9.299 -24.577 1.00 0.00 C ATOM 0 H ALA A 3 3.695 7.441 -23.338 1.00 0.00 H new ATOM 0 HA ALA A 3 3.260 10.207 -22.698 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.117 10.149 -24.913 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.718 9.376 -24.984 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.248 8.375 -24.924 1.00 0.00 H new ATOM 41 N ASP A 4 0.791 10.507 -22.267 1.00 0.00 N ATOM 42 CA ASP A 4 -0.547 10.751 -21.706 1.00 0.00 C ATOM 43 C ASP A 4 -1.635 10.929 -22.788 1.00 0.00 C ATOM 44 O ASP A 4 -2.815 10.667 -22.535 1.00 0.00 O ATOM 45 CB ASP A 4 -0.461 11.983 -20.793 1.00 0.00 C ATOM 46 CG ASP A 4 -1.774 12.247 -20.035 1.00 0.00 C ATOM 47 OD1 ASP A 4 -2.118 11.454 -19.126 1.00 0.00 O ATOM 48 OD2 ASP A 4 -2.446 13.266 -20.321 1.00 0.00 O ATOM 0 H ASP A 4 1.259 11.368 -22.551 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.852 9.873 -21.137 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.347 11.844 -20.075 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.209 12.858 -21.392 1.00 0.00 H new ATOM 53 N ARG A 5 -1.245 11.346 -24.003 1.00 0.00 N ATOM 54 CA ARG A 5 -2.149 11.550 -25.153 1.00 0.00 C ATOM 55 C ARG A 5 -2.686 10.238 -25.749 1.00 0.00 C ATOM 56 O ARG A 5 -2.086 9.173 -25.587 1.00 0.00 O ATOM 57 CB ARG A 5 -1.468 12.436 -26.214 1.00 0.00 C ATOM 58 CG ARG A 5 -0.319 11.730 -26.959 1.00 0.00 C ATOM 59 CD ARG A 5 0.340 12.628 -28.013 1.00 0.00 C ATOM 60 NE ARG A 5 -0.599 12.996 -29.090 1.00 0.00 N ATOM 61 CZ ARG A 5 -1.060 14.194 -29.394 1.00 0.00 C ATOM 62 NH1 ARG A 5 -0.818 15.264 -28.701 1.00 0.00 N ATOM 63 NH2 ARG A 5 -1.821 14.348 -30.433 1.00 0.00 N ATOM 0 H ARG A 5 -0.271 11.556 -24.221 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.031 12.071 -24.781 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.215 12.760 -26.939 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.080 13.334 -25.732 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.433 11.409 -26.238 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.702 10.831 -27.441 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.716 13.533 -27.535 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.200 12.113 -28.442 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.933 12.228 -29.672 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.239 15.209 -27.863 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.207 16.160 -28.994 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.062 13.544 -31.013 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.179 15.273 -30.670 1.00 0.00 H new ATOM 77 N VAL A 6 -3.796 10.334 -26.491 1.00 0.00 N ATOM 78 CA VAL A 6 -4.471 9.201 -27.172 1.00 0.00 C ATOM 79 C VAL A 6 -4.930 9.547 -28.607 1.00 0.00 C ATOM 80 O VAL A 6 -5.797 8.890 -29.185 1.00 0.00 O ATOM 81 CB VAL A 6 -5.586 8.656 -26.246 1.00 0.00 C ATOM 82 CG1 VAL A 6 -6.816 9.570 -26.165 1.00 0.00 C ATOM 83 CG2 VAL A 6 -6.017 7.221 -26.572 1.00 0.00 C ATOM 0 H VAL A 6 -4.270 11.224 -26.644 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.757 8.394 -27.335 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.116 8.641 -25.263 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.556 9.126 -25.499 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.520 10.545 -25.779 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.247 9.689 -27.159 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.801 6.911 -25.881 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.396 7.178 -27.593 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.161 6.553 -26.474 1.00 0.00 H new ATOM 93 N LEU A 7 -4.341 10.593 -29.198 1.00 0.00 N ATOM 94 CA LEU A 7 -4.703 11.174 -30.503 1.00 0.00 C ATOM 95 C LEU A 7 -3.460 11.471 -31.363 1.00 0.00 C ATOM 96 O LEU A 7 -2.343 11.565 -30.848 1.00 0.00 O ATOM 97 CB LEU A 7 -5.515 12.470 -30.269 1.00 0.00 C ATOM 98 CG LEU A 7 -6.885 12.287 -29.585 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.501 13.659 -29.301 1.00 0.00 C ATOM 100 CD2 LEU A 7 -7.872 11.503 -30.454 1.00 0.00 C ATOM 0 H LEU A 7 -3.561 11.083 -28.761 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.305 10.448 -31.049 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.915 13.148 -29.663 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.672 12.957 -31.231 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.708 11.727 -28.666 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.469 13.530 -28.818 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.840 14.226 -28.645 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.633 14.200 -30.238 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.821 11.402 -29.927 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.033 12.035 -31.392 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.466 10.513 -30.663 1.00 0.00 H new ATOM 112 N ARG A 8 -3.652 11.694 -32.667 1.00 0.00 N ATOM 113 CA ARG A 8 -2.606 12.095 -33.635 1.00 0.00 C ATOM 114 C ARG A 8 -2.620 13.607 -33.925 1.00 0.00 C ATOM 115 O ARG A 8 -3.571 14.306 -33.572 1.00 0.00 O ATOM 116 CB ARG A 8 -2.764 11.266 -34.927 1.00 0.00 C ATOM 117 CG ARG A 8 -2.546 9.760 -34.692 1.00 0.00 C ATOM 118 CD ARG A 8 -2.608 8.951 -35.997 1.00 0.00 C ATOM 119 NE ARG A 8 -3.941 9.002 -36.635 1.00 0.00 N ATOM 120 CZ ARG A 8 -4.996 8.255 -36.357 1.00 0.00 C ATOM 121 NH1 ARG A 8 -4.978 7.340 -35.427 1.00 0.00 N ATOM 122 NH2 ARG A 8 -6.108 8.417 -37.014 1.00 0.00 N ATOM 0 H ARG A 8 -4.570 11.599 -33.101 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.632 11.888 -33.192 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.761 11.426 -35.338 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.052 11.621 -35.672 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.577 9.605 -34.217 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.303 9.389 -34.001 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.861 9.333 -36.693 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.348 7.913 -35.789 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.060 9.693 -37.375 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.129 7.181 -34.885 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.813 6.784 -35.242 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.169 9.123 -37.748 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.919 7.838 -36.795 1.00 0.00 H new ATOM 136 N GLY A 9 -1.571 14.108 -34.583 1.00 0.00 N ATOM 137 CA GLY A 9 -1.527 15.455 -35.181 1.00 0.00 C ATOM 138 C GLY A 9 -1.071 16.612 -34.276 1.00 0.00 C ATOM 139 O GLY A 9 -1.138 17.766 -34.704 1.00 0.00 O ATOM 0 H GLY A 9 -0.708 13.582 -34.720 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.863 15.420 -36.044 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.523 15.691 -35.555 1.00 0.00 H new ATOM 143 N SER A 10 -0.600 16.342 -33.052 1.00 0.00 N ATOM 144 CA SER A 10 -0.004 17.349 -32.147 1.00 0.00 C ATOM 145 C SER A 10 1.063 16.745 -31.215 1.00 0.00 C ATOM 146 O SER A 10 1.212 15.523 -31.137 1.00 0.00 O ATOM 147 CB SER A 10 -1.101 18.097 -31.370 1.00 0.00 C ATOM 148 OG SER A 10 -1.849 17.245 -30.514 1.00 0.00 O ATOM 0 H SER A 10 -0.620 15.404 -32.651 1.00 0.00 H new ATOM 0 HA SER A 10 0.521 18.077 -32.765 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.644 18.889 -30.777 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.777 18.578 -32.077 1.00 0.00 H new ATOM 0 HG SER A 10 -2.081 17.728 -29.693 1.00 0.00 H new ATOM 154 N ARG A 11 1.839 17.601 -30.530 1.00 0.00 N ATOM 155 CA ARG A 11 3.015 17.210 -29.714 1.00 0.00 C ATOM 156 C ARG A 11 2.753 17.117 -28.202 1.00 0.00 C ATOM 157 O ARG A 11 3.545 16.505 -27.486 1.00 0.00 O ATOM 158 CB ARG A 11 4.176 18.187 -29.986 1.00 0.00 C ATOM 159 CG ARG A 11 4.650 18.174 -31.450 1.00 0.00 C ATOM 160 CD ARG A 11 5.822 19.141 -31.699 1.00 0.00 C ATOM 161 NE ARG A 11 5.487 20.548 -31.392 1.00 0.00 N ATOM 162 CZ ARG A 11 4.699 21.358 -32.076 1.00 0.00 C ATOM 163 NH1 ARG A 11 4.084 21.013 -33.170 1.00 0.00 N ATOM 164 NH2 ARG A 11 4.484 22.569 -31.664 1.00 0.00 N ATOM 0 H ARG A 11 1.668 18.607 -30.524 1.00 0.00 H new ATOM 0 HA ARG A 11 3.269 16.197 -30.025 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.862 19.197 -29.722 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.015 17.934 -29.337 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.954 17.163 -31.721 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.817 18.442 -32.100 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.673 18.835 -31.091 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.132 19.066 -32.741 1.00 0.00 H new ATOM 0 HE ARG A 11 5.915 20.939 -30.553 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.198 20.071 -33.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.488 21.685 -33.654 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.925 22.902 -30.806 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.874 23.189 -32.198 1.00 0.00 H new ATOM 178 N LEU A 12 1.671 17.727 -27.707 1.00 0.00 N ATOM 179 CA LEU A 12 1.373 17.840 -26.269 1.00 0.00 C ATOM 180 C LEU A 12 1.062 16.475 -25.628 1.00 0.00 C ATOM 181 O LEU A 12 0.491 15.595 -26.274 1.00 0.00 O ATOM 182 CB LEU A 12 0.211 18.831 -26.048 1.00 0.00 C ATOM 183 CG LEU A 12 0.461 20.269 -26.547 1.00 0.00 C ATOM 184 CD1 LEU A 12 -0.777 21.126 -26.279 1.00 0.00 C ATOM 185 CD2 LEU A 12 1.658 20.933 -25.864 1.00 0.00 C ATOM 0 H LEU A 12 0.965 18.164 -28.300 1.00 0.00 H new ATOM 0 HA LEU A 12 2.266 18.221 -25.774 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.676 18.441 -26.547 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.014 18.869 -24.982 1.00 0.00 H new ATOM 0 HG LEU A 12 0.674 20.199 -27.614 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.600 22.142 -26.632 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.633 20.703 -26.805 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.982 21.144 -25.209 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.786 21.943 -26.255 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.484 20.979 -24.789 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.558 20.351 -26.061 1.00 0.00 H new ATOM 197 N GLY A 13 1.422 16.287 -24.356 1.00 0.00 N ATOM 198 CA GLY A 13 1.195 15.028 -23.630 1.00 0.00 C ATOM 199 C GLY A 13 2.066 13.848 -24.089 1.00 0.00 C ATOM 200 O GLY A 13 1.732 12.699 -23.799 1.00 0.00 O ATOM 0 H GLY A 13 1.881 17.005 -23.795 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.374 15.201 -22.569 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.147 14.749 -23.736 1.00 0.00 H new ATOM 204 N ALA A 14 3.157 14.108 -24.817 1.00 0.00 N ATOM 205 CA ALA A 14 4.136 13.118 -25.278 1.00 0.00 C ATOM 206 C ALA A 14 5.556 13.716 -25.380 1.00 0.00 C ATOM 207 O ALA A 14 5.741 14.935 -25.330 1.00 0.00 O ATOM 208 CB ALA A 14 3.671 12.566 -26.633 1.00 0.00 C ATOM 0 H ALA A 14 3.392 15.055 -25.114 1.00 0.00 H new ATOM 0 HA ALA A 14 4.194 12.310 -24.549 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.389 11.828 -26.991 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.694 12.097 -26.519 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.600 13.381 -27.353 1.00 0.00 H new ATOM 214 N VAL A 15 6.561 12.848 -25.542 1.00 0.00 N ATOM 215 CA VAL A 15 7.977 13.198 -25.740 1.00 0.00 C ATOM 216 C VAL A 15 8.602 12.388 -26.893 1.00 0.00 C ATOM 217 O VAL A 15 8.216 11.243 -27.128 1.00 0.00 O ATOM 218 CB VAL A 15 8.795 13.003 -24.446 1.00 0.00 C ATOM 219 CG1 VAL A 15 8.474 14.089 -23.412 1.00 0.00 C ATOM 220 CG2 VAL A 15 8.611 11.629 -23.785 1.00 0.00 C ATOM 0 H VAL A 15 6.406 11.840 -25.539 1.00 0.00 H new ATOM 0 HA VAL A 15 8.008 14.254 -26.007 1.00 0.00 H new ATOM 0 HB VAL A 15 9.834 13.076 -24.768 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.067 13.922 -22.513 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.712 15.068 -23.827 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.414 14.050 -23.160 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.220 11.575 -22.883 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.562 11.488 -23.524 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.920 10.847 -24.479 1.00 0.00 H new ATOM 230 N SER A 16 9.579 12.918 -27.634 1.00 0.00 N ATOM 231 CA SER A 16 10.104 14.296 -27.596 1.00 0.00 C ATOM 232 C SER A 16 9.261 15.278 -28.432 1.00 0.00 C ATOM 233 O SER A 16 8.568 14.888 -29.375 1.00 0.00 O ATOM 234 CB SER A 16 11.572 14.303 -28.051 1.00 0.00 C ATOM 235 OG SER A 16 11.710 13.756 -29.355 1.00 0.00 O ATOM 0 H SER A 16 10.065 12.355 -28.332 1.00 0.00 H new ATOM 0 HA SER A 16 10.042 14.645 -26.565 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.954 15.324 -28.040 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.176 13.729 -27.348 1.00 0.00 H new ATOM 0 HG SER A 16 12.653 13.775 -29.619 1.00 0.00 H new ATOM 241 N TYR A 17 9.320 16.568 -28.075 1.00 0.00 N ATOM 242 CA TYR A 17 8.604 17.675 -28.741 1.00 0.00 C ATOM 243 C TYR A 17 9.531 18.793 -29.264 1.00 0.00 C ATOM 244 O TYR A 17 9.067 19.779 -29.838 1.00 0.00 O ATOM 245 CB TYR A 17 7.530 18.212 -27.784 1.00 0.00 C ATOM 246 CG TYR A 17 8.059 18.740 -26.461 1.00 0.00 C ATOM 247 CD1 TYR A 17 8.485 20.077 -26.356 1.00 0.00 C ATOM 248 CD2 TYR A 17 8.125 17.891 -25.340 1.00 0.00 C ATOM 249 CE1 TYR A 17 8.996 20.561 -25.135 1.00 0.00 C ATOM 250 CE2 TYR A 17 8.635 18.370 -24.117 1.00 0.00 C ATOM 251 CZ TYR A 17 9.074 19.709 -24.012 1.00 0.00 C ATOM 252 OH TYR A 17 9.565 20.186 -22.835 1.00 0.00 O ATOM 0 H TYR A 17 9.886 16.885 -27.288 1.00 0.00 H new ATOM 0 HA TYR A 17 8.132 17.278 -29.640 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.984 19.011 -28.285 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.814 17.416 -27.581 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.420 20.733 -27.212 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.784 16.869 -25.418 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.329 21.586 -25.058 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.690 17.714 -23.261 1.00 0.00 H new ATOM 0 HH TYR A 17 9.550 19.474 -22.162 1.00 0.00 H new ATOM 262 N GLU A 18 10.844 18.637 -29.065 1.00 0.00 N ATOM 263 CA GLU A 18 11.938 19.488 -29.581 1.00 0.00 C ATOM 264 C GLU A 18 11.832 20.994 -29.241 1.00 0.00 C ATOM 265 O GLU A 18 12.440 21.838 -29.904 1.00 0.00 O ATOM 266 CB GLU A 18 12.165 19.222 -31.086 1.00 0.00 C ATOM 267 CG GLU A 18 12.448 17.746 -31.403 1.00 0.00 C ATOM 268 CD GLU A 18 12.808 17.561 -32.890 1.00 0.00 C ATOM 269 OE1 GLU A 18 11.891 17.374 -33.726 1.00 0.00 O ATOM 270 OE2 GLU A 18 14.016 17.593 -33.235 1.00 0.00 O ATOM 0 H GLU A 18 11.201 17.864 -28.503 1.00 0.00 H new ATOM 0 HA GLU A 18 12.830 19.184 -29.034 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.285 19.544 -31.642 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.001 19.829 -31.434 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.267 17.387 -30.779 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.573 17.143 -31.159 1.00 0.00 H new ATOM 277 N THR A 19 11.062 21.342 -28.203 1.00 0.00 N ATOM 278 CA THR A 19 10.685 22.727 -27.834 1.00 0.00 C ATOM 279 C THR A 19 10.069 23.521 -29.008 1.00 0.00 C ATOM 280 O THR A 19 10.178 24.747 -29.082 1.00 0.00 O ATOM 281 CB THR A 19 11.835 23.476 -27.116 1.00 0.00 C ATOM 282 OG1 THR A 19 12.577 22.602 -26.283 1.00 0.00 O ATOM 283 CG2 THR A 19 11.341 24.579 -26.173 1.00 0.00 C ATOM 0 H THR A 19 10.666 20.648 -27.569 1.00 0.00 H new ATOM 0 HA THR A 19 9.882 22.643 -27.102 1.00 0.00 H new ATOM 0 HB THR A 19 12.429 23.894 -27.928 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.297 23.101 -25.844 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.196 25.065 -25.702 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.773 25.316 -26.741 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.703 24.142 -25.405 1.00 0.00 H new ATOM 291 N ASP A 20 9.421 22.834 -29.959 1.00 0.00 N ATOM 292 CA ASP A 20 8.819 23.459 -31.144 1.00 0.00 C ATOM 293 C ASP A 20 7.482 24.149 -30.813 1.00 0.00 C ATOM 294 O ASP A 20 6.623 23.576 -30.131 1.00 0.00 O ATOM 295 CB ASP A 20 8.673 22.420 -32.266 1.00 0.00 C ATOM 296 CG ASP A 20 8.108 23.043 -33.555 1.00 0.00 C ATOM 297 OD1 ASP A 20 8.620 24.104 -33.986 1.00 0.00 O ATOM 298 OD2 ASP A 20 7.151 22.479 -34.133 1.00 0.00 O ATOM 0 H ASP A 20 9.299 21.822 -29.927 1.00 0.00 H new ATOM 0 HA ASP A 20 9.485 24.247 -31.495 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.645 21.972 -32.475 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.016 21.616 -31.933 1.00 0.00 H new ATOM 303 N ARG A 21 7.297 25.381 -31.308 1.00 0.00 N ATOM 304 CA ARG A 21 6.186 26.287 -30.957 1.00 0.00 C ATOM 305 C ARG A 21 5.598 26.970 -32.203 1.00 0.00 C ATOM 306 O ARG A 21 5.675 28.189 -32.371 1.00 0.00 O ATOM 307 CB ARG A 21 6.680 27.262 -29.867 1.00 0.00 C ATOM 308 CG ARG A 21 5.532 28.004 -29.160 1.00 0.00 C ATOM 309 CD ARG A 21 6.082 28.941 -28.076 1.00 0.00 C ATOM 310 NE ARG A 21 5.001 29.678 -27.391 1.00 0.00 N ATOM 311 CZ ARG A 21 4.302 29.288 -26.339 1.00 0.00 C ATOM 312 NH1 ARG A 21 4.492 28.135 -25.761 1.00 0.00 N ATOM 313 NH2 ARG A 21 3.382 30.062 -25.838 1.00 0.00 N ATOM 0 H ARG A 21 7.937 25.792 -31.988 1.00 0.00 H new ATOM 0 HA ARG A 21 5.348 25.727 -30.542 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.258 26.709 -29.127 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.354 27.991 -30.317 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.960 28.578 -29.889 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.847 27.284 -28.713 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.646 28.361 -27.346 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.777 29.650 -28.526 1.00 0.00 H new ATOM 0 HE ARG A 21 4.767 30.594 -27.774 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.202 27.496 -26.119 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.931 27.872 -24.951 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.198 30.973 -26.258 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.845 29.757 -25.026 1.00 0.00 H new ATOM 327 N ASN A 22 5.028 26.165 -33.100 1.00 0.00 N ATOM 328 CA ASN A 22 4.291 26.637 -34.280 1.00 0.00 C ATOM 329 C ASN A 22 3.002 27.406 -33.903 1.00 0.00 C ATOM 330 O ASN A 22 2.469 27.254 -32.800 1.00 0.00 O ATOM 331 CB ASN A 22 3.994 25.438 -35.206 1.00 0.00 C ATOM 332 CG ASN A 22 2.870 24.553 -34.685 1.00 0.00 C ATOM 333 OD1 ASN A 22 3.080 23.662 -33.872 1.00 0.00 O ATOM 334 ND2 ASN A 22 1.649 24.791 -35.099 1.00 0.00 N ATOM 0 H ASN A 22 5.064 25.148 -33.029 1.00 0.00 H new ATOM 0 HA ASN A 22 4.916 27.354 -34.813 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.730 25.807 -36.197 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.898 24.840 -35.319 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.872 24.233 -34.744 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.476 25.534 -35.776 1.00 0.00 H new ATOM 341 N HIS A 23 2.468 28.188 -34.846 1.00 0.00 N ATOM 342 CA HIS A 23 1.156 28.843 -34.728 1.00 0.00 C ATOM 343 C HIS A 23 0.011 27.914 -35.173 1.00 0.00 C ATOM 344 O HIS A 23 0.176 27.124 -36.107 1.00 0.00 O ATOM 345 CB HIS A 23 1.174 30.156 -35.523 1.00 0.00 C ATOM 346 CG HIS A 23 -0.088 30.971 -35.381 1.00 0.00 C ATOM 347 ND1 HIS A 23 -1.021 31.209 -36.394 1.00 0.00 N ATOM 348 CD2 HIS A 23 -0.505 31.596 -34.241 1.00 0.00 C ATOM 349 CE1 HIS A 23 -1.978 31.974 -35.840 1.00 0.00 C ATOM 350 NE2 HIS A 23 -1.696 32.218 -34.549 1.00 0.00 N ATOM 0 H HIS A 23 2.940 28.389 -35.728 1.00 0.00 H new ATOM 0 HA HIS A 23 0.967 29.071 -33.679 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.022 30.757 -35.195 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.332 29.929 -36.577 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.001 31.602 -33.286 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.851 32.341 -36.360 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.266 32.769 -33.907 1.00 0.00 H new ATOM 358 N ASP A 24 -1.149 28.018 -34.520 1.00 0.00 N ATOM 359 CA ASP A 24 -2.400 27.314 -34.849 1.00 0.00 C ATOM 360 C ASP A 24 -3.628 28.196 -34.557 1.00 0.00 C ATOM 361 O ASP A 24 -3.570 29.119 -33.740 1.00 0.00 O ATOM 362 CB ASP A 24 -2.523 26.000 -34.050 1.00 0.00 C ATOM 363 CG ASP A 24 -1.743 24.828 -34.665 1.00 0.00 C ATOM 364 OD1 ASP A 24 -2.047 24.439 -35.818 1.00 0.00 O ATOM 365 OD2 ASP A 24 -0.867 24.249 -33.977 1.00 0.00 O ATOM 0 H ASP A 24 -1.251 28.625 -33.706 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.368 27.086 -35.914 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.167 26.168 -33.034 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.576 25.726 -33.978 1.00 0.00 H new ATOM 370 N LEU A 25 -4.753 27.873 -35.204 1.00 0.00 N ATOM 371 CA LEU A 25 -6.069 28.496 -35.009 1.00 0.00 C ATOM 372 C LEU A 25 -7.185 27.438 -34.915 1.00 0.00 C ATOM 373 O LEU A 25 -7.060 26.335 -35.456 1.00 0.00 O ATOM 374 CB LEU A 25 -6.362 29.485 -36.158 1.00 0.00 C ATOM 375 CG LEU A 25 -5.481 30.749 -36.191 1.00 0.00 C ATOM 376 CD1 LEU A 25 -5.804 31.562 -37.447 1.00 0.00 C ATOM 377 CD2 LEU A 25 -5.717 31.657 -34.979 1.00 0.00 C ATOM 0 H LEU A 25 -4.773 27.137 -35.910 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.048 29.040 -34.065 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.246 28.958 -37.105 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.405 29.793 -36.091 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.444 30.413 -36.182 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.181 32.456 -37.472 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.606 30.958 -38.332 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.855 31.852 -37.433 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.073 32.533 -35.050 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.760 31.974 -34.959 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.487 31.110 -34.065 1.00 0.00 H new ATOM 389 N ALA A 26 -8.289 27.795 -34.256 1.00 0.00 N ATOM 390 CA ALA A 26 -9.508 26.989 -34.131 1.00 0.00 C ATOM 391 C ALA A 26 -10.772 27.881 -34.157 1.00 0.00 C ATOM 392 O ALA A 26 -10.701 29.038 -33.724 1.00 0.00 O ATOM 393 CB ALA A 26 -9.422 26.176 -32.831 1.00 0.00 C ATOM 0 H ALA A 26 -8.363 28.691 -33.774 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.588 26.309 -34.979 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.321 25.570 -32.721 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.548 25.526 -32.866 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.336 26.855 -31.982 1.00 0.00 H new ATOM 399 N PRO A 27 -11.936 27.381 -34.625 1.00 0.00 N ATOM 400 CA PRO A 27 -13.165 28.172 -34.754 1.00 0.00 C ATOM 401 C PRO A 27 -13.904 28.306 -33.404 1.00 0.00 C ATOM 402 O PRO A 27 -14.980 27.737 -33.191 1.00 0.00 O ATOM 403 CB PRO A 27 -13.966 27.442 -35.842 1.00 0.00 C ATOM 404 CG PRO A 27 -13.595 25.977 -35.617 1.00 0.00 C ATOM 405 CD PRO A 27 -12.124 26.060 -35.216 1.00 0.00 C ATOM 0 HA PRO A 27 -12.984 29.209 -35.037 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.038 27.608 -35.734 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.690 27.779 -36.841 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.203 25.521 -34.835 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.736 25.381 -36.519 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.870 25.275 -34.503 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.476 25.926 -36.082 1.00 0.00 H new ATOM 413 N ARG A 28 -13.312 29.071 -32.478 1.00 0.00 N ATOM 414 CA ARG A 28 -13.847 29.369 -31.139 1.00 0.00 C ATOM 415 C ARG A 28 -13.610 30.814 -30.671 1.00 0.00 C ATOM 416 O ARG A 28 -12.807 31.546 -31.247 1.00 0.00 O ATOM 417 CB ARG A 28 -13.333 28.310 -30.148 1.00 0.00 C ATOM 418 CG ARG A 28 -11.835 28.416 -29.835 1.00 0.00 C ATOM 419 CD ARG A 28 -11.402 27.374 -28.796 1.00 0.00 C ATOM 420 NE ARG A 28 -11.429 25.997 -29.339 1.00 0.00 N ATOM 421 CZ ARG A 28 -10.411 25.173 -29.521 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.180 25.502 -29.247 1.00 0.00 N ATOM 423 NH2 ARG A 28 -10.615 23.977 -29.995 1.00 0.00 N ATOM 0 H ARG A 28 -12.411 29.518 -32.646 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.934 29.306 -31.189 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.894 28.397 -29.218 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.539 27.319 -30.553 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.260 28.278 -30.751 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.610 29.416 -29.465 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.395 27.606 -28.449 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.059 27.434 -27.929 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.346 25.640 -29.606 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.970 26.429 -28.876 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.426 24.833 -29.404 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.561 23.675 -30.226 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.828 23.343 -30.135 1.00 0.00 H new ATOM 437 N GLN A 29 -14.304 31.193 -29.597 1.00 0.00 N ATOM 438 CA GLN A 29 -14.281 32.487 -28.907 1.00 0.00 C ATOM 439 C GLN A 29 -14.177 32.241 -27.397 1.00 0.00 C ATOM 440 O GLN A 29 -15.101 31.727 -26.777 1.00 0.00 O ATOM 441 CB GLN A 29 -15.571 33.289 -29.179 1.00 0.00 C ATOM 442 CG GLN A 29 -15.942 33.488 -30.656 1.00 0.00 C ATOM 443 CD GLN A 29 -17.291 32.867 -30.996 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.189 33.505 -31.528 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.469 31.601 -30.695 1.00 0.00 N ATOM 0 H GLN A 29 -14.953 30.548 -29.147 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.428 33.056 -29.275 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.400 32.785 -28.682 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.470 34.270 -28.715 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.966 34.554 -30.883 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.170 33.046 -31.286 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.718 31.072 -30.251 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.358 31.147 -30.905 1.00 0.00 H new ATOM 454 N ILE A 30 -13.060 32.609 -26.788 1.00 0.00 N ATOM 455 CA ILE A 30 -12.869 32.550 -25.333 1.00 0.00 C ATOM 456 C ILE A 30 -13.370 33.870 -24.731 1.00 0.00 C ATOM 457 O ILE A 30 -12.744 34.917 -24.923 1.00 0.00 O ATOM 458 CB ILE A 30 -11.389 32.297 -24.958 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.717 31.179 -25.783 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.276 32.010 -23.447 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.441 29.833 -25.805 1.00 0.00 C ATOM 0 H ILE A 30 -12.246 32.963 -27.290 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.437 31.713 -24.928 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.843 33.208 -25.205 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.609 31.528 -26.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.711 31.022 -25.393 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.232 31.832 -23.187 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.649 32.866 -22.885 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.867 31.128 -23.199 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.877 29.127 -26.414 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.525 29.449 -24.789 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.437 29.963 -26.228 1.00 0.00 H new ATOM 473 N ALA A 31 -14.485 33.825 -24.006 1.00 0.00 N ATOM 474 CA ALA A 31 -14.921 34.900 -23.116 1.00 0.00 C ATOM 475 C ALA A 31 -14.508 34.619 -21.657 1.00 0.00 C ATOM 476 O ALA A 31 -14.240 33.476 -21.277 1.00 0.00 O ATOM 477 CB ALA A 31 -16.434 35.089 -23.275 1.00 0.00 C ATOM 0 H ALA A 31 -15.122 33.028 -24.020 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.427 35.832 -23.390 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.772 35.889 -22.616 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.661 35.350 -24.309 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.946 34.163 -23.014 1.00 0.00 H new ATOM 483 N ARG A 32 -14.490 35.658 -20.820 1.00 0.00 N ATOM 484 CA ARG A 32 -14.322 35.572 -19.357 1.00 0.00 C ATOM 485 C ARG A 32 -15.570 36.080 -18.639 1.00 0.00 C ATOM 486 O ARG A 32 -16.239 36.986 -19.131 1.00 0.00 O ATOM 487 CB ARG A 32 -13.062 36.344 -18.922 1.00 0.00 C ATOM 488 CG ARG A 32 -11.867 35.399 -18.776 1.00 0.00 C ATOM 489 CD ARG A 32 -10.573 36.164 -18.485 1.00 0.00 C ATOM 490 NE ARG A 32 -9.481 35.244 -18.110 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.463 35.501 -17.310 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.292 36.662 -16.755 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.594 34.576 -17.047 1.00 0.00 N ATOM 0 H ARG A 32 -14.595 36.618 -21.147 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.189 34.527 -19.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.832 37.117 -19.656 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.249 36.850 -17.975 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.060 34.690 -17.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.749 34.818 -19.691 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.282 36.739 -19.364 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.743 36.878 -17.679 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.517 34.308 -18.513 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.957 37.415 -16.931 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.492 36.822 -16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.696 33.648 -17.458 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.808 34.776 -16.429 1.00 0.00 H new ATOM 507 N TYR A 33 -15.855 35.549 -17.451 1.00 0.00 N ATOM 508 CA TYR A 33 -16.977 35.968 -16.607 1.00 0.00 C ATOM 509 C TYR A 33 -16.585 36.011 -15.120 1.00 0.00 C ATOM 510 O TYR A 33 -15.824 35.167 -14.647 1.00 0.00 O ATOM 511 CB TYR A 33 -18.190 35.054 -16.808 1.00 0.00 C ATOM 512 CG TYR A 33 -18.764 34.993 -18.207 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.166 34.193 -19.199 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.934 35.711 -18.500 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.759 34.093 -20.471 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.519 35.628 -19.772 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.956 34.786 -20.747 1.00 0.00 C ATOM 518 OH TYR A 33 -20.597 34.619 -21.929 1.00 0.00 O ATOM 0 H TYR A 33 -15.301 34.799 -17.038 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.248 36.978 -16.914 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.909 34.044 -16.510 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.979 35.379 -16.129 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.253 33.657 -18.984 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.387 36.332 -17.741 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.298 33.486 -21.236 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.400 36.209 -20.002 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.268 35.325 -22.040 1.00 0.00 H new ATOM 528 N ARG A 34 -17.111 37.001 -14.390 1.00 0.00 N ATOM 529 CA ARG A 34 -16.830 37.304 -12.976 1.00 0.00 C ATOM 530 C ARG A 34 -18.039 36.988 -12.100 1.00 0.00 C ATOM 531 O ARG A 34 -19.127 37.504 -12.351 1.00 0.00 O ATOM 532 CB ARG A 34 -16.426 38.786 -12.871 1.00 0.00 C ATOM 533 CG ARG A 34 -15.979 39.189 -11.458 1.00 0.00 C ATOM 534 CD ARG A 34 -15.464 40.631 -11.474 1.00 0.00 C ATOM 535 NE ARG A 34 -15.114 41.106 -10.123 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.914 41.180 -9.570 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.818 40.820 -10.176 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.790 41.633 -8.355 1.00 0.00 N ATOM 0 H ARG A 34 -17.785 37.653 -14.792 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.012 36.680 -12.616 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.617 38.987 -13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.269 39.409 -13.170 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.813 39.098 -10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.196 38.516 -11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.588 40.696 -12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.225 41.283 -11.902 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.893 41.416 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.857 40.458 -11.129 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.921 40.900 -9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.616 41.929 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.867 41.692 -7.924 1.00 0.00 H new ATOM 552 N THR A 35 -17.846 36.156 -11.080 1.00 0.00 N ATOM 553 CA THR A 35 -18.893 35.710 -10.143 1.00 0.00 C ATOM 554 C THR A 35 -19.173 36.760 -9.068 1.00 0.00 C ATOM 555 O THR A 35 -18.510 37.798 -8.990 1.00 0.00 O ATOM 556 CB THR A 35 -18.543 34.390 -9.446 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.391 34.556 -8.673 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.327 33.244 -10.414 1.00 0.00 C ATOM 0 H THR A 35 -16.931 35.757 -10.870 1.00 0.00 H new ATOM 0 HA THR A 35 -19.781 35.559 -10.757 1.00 0.00 H new ATOM 0 HB THR A 35 -19.398 34.131 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.625 34.727 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.083 32.339 -9.858 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.236 33.080 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.507 33.488 -11.089 1.00 0.00 H new ATOM 566 N ASP A 36 -20.122 36.472 -8.176 1.00 0.00 N ATOM 567 CA ASP A 36 -20.506 37.398 -7.112 1.00 0.00 C ATOM 568 C ASP A 36 -19.466 37.512 -5.980 1.00 0.00 C ATOM 569 O ASP A 36 -19.478 38.507 -5.252 1.00 0.00 O ATOM 570 CB ASP A 36 -21.896 37.009 -6.591 1.00 0.00 C ATOM 571 CG ASP A 36 -22.494 38.066 -5.645 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.783 39.196 -6.105 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.718 37.757 -4.449 1.00 0.00 O ATOM 0 H ASP A 36 -20.643 35.595 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.545 38.400 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.568 36.862 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.829 36.055 -6.068 1.00 0.00 H new ATOM 578 N ASN A 37 -18.517 36.567 -5.865 1.00 0.00 N ATOM 579 CA ASN A 37 -17.379 36.725 -4.941 1.00 0.00 C ATOM 580 C ASN A 37 -16.170 37.438 -5.597 1.00 0.00 C ATOM 581 O ASN A 37 -15.112 37.564 -4.976 1.00 0.00 O ATOM 582 CB ASN A 37 -16.967 35.389 -4.312 1.00 0.00 C ATOM 583 CG ASN A 37 -18.085 34.434 -3.937 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.142 34.798 -3.437 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.852 33.162 -4.149 1.00 0.00 N ATOM 0 H ASN A 37 -18.514 35.695 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.727 37.375 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.302 34.877 -5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.386 35.601 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.554 32.466 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.969 32.868 -4.566 1.00 0.00 H new ATOM 592 N GLY A 38 -16.293 37.855 -6.865 1.00 0.00 N ATOM 593 CA GLY A 38 -15.190 38.330 -7.711 1.00 0.00 C ATOM 594 C GLY A 38 -14.349 37.225 -8.347 1.00 0.00 C ATOM 595 O GLY A 38 -13.300 37.518 -8.920 1.00 0.00 O ATOM 0 H GLY A 38 -17.193 37.871 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.602 38.955 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.537 38.964 -7.111 1.00 0.00 H new ATOM 599 N GLU A 39 -14.769 35.963 -8.245 1.00 0.00 N ATOM 600 CA GLU A 39 -14.033 34.834 -8.831 1.00 0.00 C ATOM 601 C GLU A 39 -14.229 34.863 -10.353 1.00 0.00 C ATOM 602 O GLU A 39 -15.361 34.789 -10.828 1.00 0.00 O ATOM 603 CB GLU A 39 -14.480 33.479 -8.240 1.00 0.00 C ATOM 604 CG GLU A 39 -14.820 33.539 -6.745 1.00 0.00 C ATOM 605 CD GLU A 39 -14.582 32.251 -5.937 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.597 31.511 -6.179 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.381 32.014 -4.997 1.00 0.00 O ATOM 0 H GLU A 39 -15.623 35.692 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.975 34.938 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.353 33.124 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.688 32.747 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.234 34.339 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.869 33.817 -6.644 1.00 0.00 H new ATOM 614 N GLU A 40 -13.150 34.984 -11.120 1.00 0.00 N ATOM 615 CA GLU A 40 -13.203 35.067 -12.588 1.00 0.00 C ATOM 616 C GLU A 40 -12.820 33.734 -13.247 1.00 0.00 C ATOM 617 O GLU A 40 -11.772 33.152 -12.951 1.00 0.00 O ATOM 618 CB GLU A 40 -12.293 36.193 -13.106 1.00 0.00 C ATOM 619 CG GLU A 40 -12.933 37.564 -12.874 1.00 0.00 C ATOM 620 CD GLU A 40 -12.048 38.752 -13.293 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.196 38.619 -14.205 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.228 39.846 -12.705 1.00 0.00 O ATOM 0 H GLU A 40 -12.203 35.028 -10.744 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.234 35.293 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.328 36.148 -12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.103 36.052 -14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.872 37.612 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.179 37.664 -11.817 1.00 0.00 H new ATOM 629 N PHE A 41 -13.670 33.275 -14.170 1.00 0.00 N ATOM 630 CA PHE A 41 -13.500 32.046 -14.949 1.00 0.00 C ATOM 631 C PHE A 41 -13.573 32.324 -16.452 1.00 0.00 C ATOM 632 O PHE A 41 -14.086 33.354 -16.889 1.00 0.00 O ATOM 633 CB PHE A 41 -14.562 31.015 -14.540 1.00 0.00 C ATOM 634 CG PHE A 41 -14.426 30.532 -13.109 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.981 31.267 -12.041 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.712 29.347 -12.845 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.788 30.823 -10.726 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.505 28.922 -11.521 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.034 29.668 -10.459 1.00 0.00 C ATOM 0 H PHE A 41 -14.530 33.770 -14.404 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.510 31.642 -14.736 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.551 31.453 -14.673 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.500 30.158 -15.211 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.550 32.164 -12.235 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.321 28.762 -13.664 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.224 31.376 -9.907 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.940 28.023 -11.323 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.863 29.356 -9.439 1.00 0.00 H new ATOM 649 N GLU A 42 -13.084 31.379 -17.253 1.00 0.00 N ATOM 650 CA GLU A 42 -13.086 31.452 -18.717 1.00 0.00 C ATOM 651 C GLU A 42 -14.075 30.443 -19.312 1.00 0.00 C ATOM 652 O GLU A 42 -14.147 29.289 -18.877 1.00 0.00 O ATOM 653 CB GLU A 42 -11.682 31.219 -19.298 1.00 0.00 C ATOM 654 CG GLU A 42 -10.610 32.183 -18.760 1.00 0.00 C ATOM 655 CD GLU A 42 -9.312 31.531 -18.245 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.330 30.404 -17.697 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.265 32.216 -18.331 1.00 0.00 O ATOM 0 H GLU A 42 -12.665 30.520 -16.896 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.402 32.459 -18.990 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.376 30.195 -19.081 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.729 31.314 -20.383 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.351 32.885 -19.552 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.047 32.765 -17.949 1.00 0.00 H new ATOM 664 N VAL A 43 -14.818 30.878 -20.330 1.00 0.00 N ATOM 665 CA VAL A 43 -15.787 30.057 -21.074 1.00 0.00 C ATOM 666 C VAL A 43 -15.476 30.103 -22.580 1.00 0.00 C ATOM 667 O VAL A 43 -15.684 31.139 -23.220 1.00 0.00 O ATOM 668 CB VAL A 43 -17.235 30.503 -20.800 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.232 29.535 -21.447 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.560 30.594 -19.302 1.00 0.00 C ATOM 0 H VAL A 43 -14.765 31.837 -20.673 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.693 29.028 -20.727 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.326 31.499 -21.234 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.249 29.869 -21.241 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.069 29.511 -22.524 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.088 28.536 -21.036 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.594 30.913 -19.173 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.421 29.617 -18.840 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.896 31.317 -18.829 1.00 0.00 H new ATOM 680 N PRO A 44 -14.996 28.995 -23.174 1.00 0.00 N ATOM 681 CA PRO A 44 -14.894 28.827 -24.615 1.00 0.00 C ATOM 682 C PRO A 44 -16.277 28.628 -25.251 1.00 0.00 C ATOM 683 O PRO A 44 -17.060 27.767 -24.841 1.00 0.00 O ATOM 684 CB PRO A 44 -13.996 27.608 -24.852 1.00 0.00 C ATOM 685 CG PRO A 44 -13.347 27.322 -23.499 1.00 0.00 C ATOM 686 CD PRO A 44 -14.362 27.875 -22.506 1.00 0.00 C ATOM 0 HA PRO A 44 -14.470 29.718 -25.079 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.576 26.753 -25.200 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.244 27.814 -25.614 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.177 26.256 -23.351 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.380 27.815 -23.404 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.095 27.116 -22.233 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.874 28.194 -21.585 1.00 0.00 H new ATOM 694 N PHE A 45 -16.540 29.405 -26.293 1.00 0.00 N ATOM 695 CA PHE A 45 -17.707 29.301 -27.182 1.00 0.00 C ATOM 696 C PHE A 45 -17.277 28.903 -28.595 1.00 0.00 C ATOM 697 O PHE A 45 -16.254 29.374 -29.080 1.00 0.00 O ATOM 698 CB PHE A 45 -18.452 30.640 -27.213 1.00 0.00 C ATOM 699 CG PHE A 45 -19.291 30.911 -25.979 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.699 31.467 -24.830 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.673 30.637 -25.986 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.483 31.754 -23.702 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.454 30.920 -24.850 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.856 31.469 -23.702 1.00 0.00 C ATOM 0 H PHE A 45 -15.917 30.167 -26.562 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.372 28.528 -26.798 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.726 31.445 -27.329 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.098 30.664 -28.091 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.639 31.673 -24.816 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.134 30.209 -26.864 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.026 32.197 -22.829 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.514 30.715 -24.860 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.452 31.670 -22.824 1.00 0.00 H new ATOM 714 N ALA A 46 -18.062 28.097 -29.300 1.00 0.00 N ATOM 715 CA ALA A 46 -17.775 27.689 -30.680 1.00 0.00 C ATOM 716 C ALA A 46 -18.317 28.713 -31.692 1.00 0.00 C ATOM 717 O ALA A 46 -19.228 29.478 -31.378 1.00 0.00 O ATOM 718 CB ALA A 46 -18.337 26.281 -30.897 1.00 0.00 C ATOM 0 H ALA A 46 -18.926 27.701 -28.930 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.698 27.660 -30.846 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.133 25.961 -31.919 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.865 25.589 -30.199 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.414 26.289 -30.728 1.00 0.00 H new ATOM 724 N ASP A 47 -17.774 28.739 -32.910 1.00 0.00 N ATOM 725 CA ASP A 47 -18.149 29.697 -33.969 1.00 0.00 C ATOM 726 C ASP A 47 -19.636 29.625 -34.387 1.00 0.00 C ATOM 727 O ASP A 47 -20.178 30.585 -34.937 1.00 0.00 O ATOM 728 CB ASP A 47 -17.223 29.465 -35.172 1.00 0.00 C ATOM 729 CG ASP A 47 -17.452 30.473 -36.313 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.099 31.665 -36.146 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.937 30.065 -37.397 1.00 0.00 O ATOM 0 H ASP A 47 -17.047 28.085 -33.201 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.025 30.703 -33.569 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.186 29.528 -34.842 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.376 28.455 -35.551 1.00 0.00 H new ATOM 736 N ASP A 48 -20.316 28.508 -34.099 1.00 0.00 N ATOM 737 CA ASP A 48 -21.769 28.353 -34.312 1.00 0.00 C ATOM 738 C ASP A 48 -22.638 28.980 -33.199 1.00 0.00 C ATOM 739 O ASP A 48 -23.849 29.154 -33.365 1.00 0.00 O ATOM 740 CB ASP A 48 -22.106 26.872 -34.522 1.00 0.00 C ATOM 741 CG ASP A 48 -21.922 26.017 -33.258 1.00 0.00 C ATOM 742 OD1 ASP A 48 -20.797 25.508 -33.041 1.00 0.00 O ATOM 743 OD2 ASP A 48 -22.900 25.831 -32.496 1.00 0.00 O ATOM 0 H ASP A 48 -19.873 27.676 -33.708 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.018 28.916 -35.212 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.138 26.787 -34.862 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.475 26.473 -35.316 1.00 0.00 H new ATOM 748 N ALA A 49 -22.007 29.344 -32.082 1.00 0.00 N ATOM 749 CA ALA A 49 -22.577 30.039 -30.927 1.00 0.00 C ATOM 750 C ALA A 49 -22.106 31.509 -30.835 1.00 0.00 C ATOM 751 O ALA A 49 -21.252 31.969 -31.597 1.00 0.00 O ATOM 752 CB ALA A 49 -22.216 29.239 -29.666 1.00 0.00 C ATOM 0 H ALA A 49 -21.015 29.147 -31.951 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.661 30.091 -31.033 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.630 29.736 -28.789 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.630 28.234 -29.742 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.132 29.179 -29.571 1.00 0.00 H new ATOM 758 N GLU A 50 -22.656 32.253 -29.872 1.00 0.00 N ATOM 759 CA GLU A 50 -22.259 33.620 -29.508 1.00 0.00 C ATOM 760 C GLU A 50 -22.229 33.812 -27.979 1.00 0.00 C ATOM 761 O GLU A 50 -22.800 33.004 -27.248 1.00 0.00 O ATOM 762 CB GLU A 50 -23.196 34.628 -30.197 1.00 0.00 C ATOM 763 CG GLU A 50 -24.641 34.614 -29.673 1.00 0.00 C ATOM 764 CD GLU A 50 -25.526 35.584 -30.480 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.570 36.795 -30.148 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.193 35.145 -31.449 1.00 0.00 O ATOM 0 H GLU A 50 -23.424 31.906 -29.298 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.243 33.798 -29.859 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.787 35.630 -30.071 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.209 34.421 -31.267 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.047 33.604 -29.739 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.653 34.894 -28.620 1.00 0.00 H new ATOM 773 N ILE A 51 -21.575 34.879 -27.505 1.00 0.00 N ATOM 774 CA ILE A 51 -21.385 35.263 -26.102 1.00 0.00 C ATOM 775 C ILE A 51 -22.604 36.041 -25.572 1.00 0.00 C ATOM 776 O ILE A 51 -22.830 37.190 -25.973 1.00 0.00 O ATOM 777 CB ILE A 51 -20.114 36.126 -25.922 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.908 35.664 -26.773 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.730 36.206 -24.435 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.394 34.254 -26.490 1.00 0.00 C ATOM 0 H ILE A 51 -21.133 35.545 -28.139 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.271 34.341 -25.532 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.370 37.119 -26.292 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.186 35.724 -27.825 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.089 36.366 -26.619 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.834 36.816 -24.323 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.548 36.655 -23.872 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.536 35.203 -24.055 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.549 34.037 -27.143 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.076 34.185 -25.450 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.190 33.533 -26.675 1.00 0.00 H new ATOM 792 N PRO A 52 -23.396 35.452 -24.669 1.00 0.00 N ATOM 793 CA PRO A 52 -24.395 36.164 -23.888 1.00 0.00 C ATOM 794 C PRO A 52 -23.730 37.046 -22.816 1.00 0.00 C ATOM 795 O PRO A 52 -22.650 36.731 -22.310 1.00 0.00 O ATOM 796 CB PRO A 52 -25.267 35.067 -23.279 1.00 0.00 C ATOM 797 CG PRO A 52 -24.318 33.881 -23.140 1.00 0.00 C ATOM 798 CD PRO A 52 -23.317 34.064 -24.271 1.00 0.00 C ATOM 0 HA PRO A 52 -24.988 36.851 -24.492 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.673 35.369 -22.314 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.115 34.828 -23.921 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.824 33.879 -22.168 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.850 32.934 -23.229 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.309 33.812 -23.942 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.553 33.407 -25.108 1.00 0.00 H new ATOM 806 N GLY A 53 -24.405 38.138 -22.444 1.00 0.00 N ATOM 807 CA GLY A 53 -23.977 39.100 -21.414 1.00 0.00 C ATOM 808 C GLY A 53 -23.555 38.479 -20.074 1.00 0.00 C ATOM 809 O GLY A 53 -22.693 39.028 -19.382 1.00 0.00 O ATOM 0 H GLY A 53 -25.299 38.389 -22.866 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.142 39.680 -21.806 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.793 39.799 -21.231 1.00 0.00 H new ATOM 813 N THR A 54 -24.133 37.333 -19.700 1.00 0.00 N ATOM 814 CA THR A 54 -23.718 36.548 -18.531 1.00 0.00 C ATOM 815 C THR A 54 -23.735 35.031 -18.795 1.00 0.00 C ATOM 816 O THR A 54 -24.405 34.559 -19.717 1.00 0.00 O ATOM 817 CB THR A 54 -24.648 36.818 -17.326 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.981 36.463 -17.642 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.736 38.285 -16.915 1.00 0.00 C ATOM 0 H THR A 54 -24.914 36.918 -20.208 1.00 0.00 H new ATOM 0 HA THR A 54 -22.697 36.863 -18.316 1.00 0.00 H new ATOM 0 HB THR A 54 -24.211 36.229 -16.520 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.558 36.638 -16.869 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.409 38.384 -16.063 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.745 38.646 -16.639 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.117 38.874 -17.749 1.00 0.00 H new ATOM 827 N TRP A 55 -22.997 34.255 -17.987 1.00 0.00 N ATOM 828 CA TRP A 55 -22.858 32.795 -18.110 1.00 0.00 C ATOM 829 C TRP A 55 -22.431 32.127 -16.788 1.00 0.00 C ATOM 830 O TRP A 55 -21.706 32.718 -15.986 1.00 0.00 O ATOM 831 CB TRP A 55 -21.844 32.465 -19.210 1.00 0.00 C ATOM 832 CG TRP A 55 -21.833 31.032 -19.649 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.031 30.070 -19.149 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.650 30.368 -20.663 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.235 28.884 -19.822 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.234 29.005 -20.763 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.694 30.782 -21.514 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.810 28.108 -21.676 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.286 29.891 -22.432 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.843 28.557 -22.517 1.00 0.00 C ATOM 0 H TRP A 55 -22.464 34.637 -17.206 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.839 32.396 -18.369 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.052 33.093 -20.076 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.847 32.729 -18.856 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.330 30.208 -18.339 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.713 28.026 -19.646 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.047 31.801 -21.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.464 27.086 -21.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.084 30.233 -23.074 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.296 27.880 -23.227 1.00 0.00 H new ATOM 851 N LEU A 56 -22.868 30.887 -16.537 1.00 0.00 N ATOM 852 CA LEU A 56 -22.555 30.144 -15.311 1.00 0.00 C ATOM 853 C LEU A 56 -21.063 29.768 -15.231 1.00 0.00 C ATOM 854 O LEU A 56 -20.516 29.074 -16.095 1.00 0.00 O ATOM 855 CB LEU A 56 -23.470 28.906 -15.210 1.00 0.00 C ATOM 856 CG LEU A 56 -24.133 28.723 -13.835 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.166 27.600 -13.900 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.121 28.360 -12.750 1.00 0.00 C ATOM 0 H LEU A 56 -23.456 30.366 -17.187 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.748 30.789 -14.454 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.249 28.981 -15.969 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.885 28.016 -15.440 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.599 29.676 -13.582 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.631 27.477 -12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.930 27.850 -14.636 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.675 26.670 -14.188 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.636 28.241 -11.797 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.625 27.426 -13.013 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.379 29.154 -12.665 1.00 0.00 H new ATOM 870 N CYS A 57 -20.406 30.205 -14.162 1.00 0.00 N ATOM 871 CA CYS A 57 -18.992 29.951 -13.901 1.00 0.00 C ATOM 872 C CYS A 57 -18.771 28.624 -13.167 1.00 0.00 C ATOM 873 O CYS A 57 -19.676 28.078 -12.532 1.00 0.00 O ATOM 874 CB CYS A 57 -18.397 31.123 -13.119 1.00 0.00 C ATOM 875 SG CYS A 57 -18.230 32.545 -14.219 1.00 0.00 S ATOM 0 H CYS A 57 -20.853 30.761 -13.433 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.479 29.863 -14.858 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -19.038 31.375 -12.274 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.425 30.847 -12.711 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.726 33.546 -13.560 1.00 0.00 H new ATOM 881 N ARG A 58 -17.533 28.120 -13.212 1.00 0.00 N ATOM 882 CA ARG A 58 -17.168 26.795 -12.682 1.00 0.00 C ATOM 883 C ARG A 58 -17.231 26.729 -11.143 1.00 0.00 C ATOM 884 O ARG A 58 -17.335 25.639 -10.580 1.00 0.00 O ATOM 885 CB ARG A 58 -15.773 26.399 -13.192 1.00 0.00 C ATOM 886 CG ARG A 58 -15.592 26.061 -14.687 1.00 0.00 C ATOM 887 CD ARG A 58 -15.978 27.091 -15.771 1.00 0.00 C ATOM 888 NE ARG A 58 -17.426 27.161 -16.082 1.00 0.00 N ATOM 889 CZ ARG A 58 -18.173 26.285 -16.730 1.00 0.00 C ATOM 890 NH1 ARG A 58 -17.703 25.153 -17.173 1.00 0.00 N ATOM 891 NH2 ARG A 58 -19.430 26.543 -16.953 1.00 0.00 N ATOM 0 H ARG A 58 -16.746 28.623 -13.621 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.906 26.081 -13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.091 27.216 -12.954 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.446 25.533 -12.617 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.541 25.813 -14.837 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.164 25.155 -14.885 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.643 28.077 -15.450 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.436 26.853 -16.686 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.910 27.996 -15.752 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.722 24.915 -17.024 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.316 24.505 -17.669 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.836 27.420 -16.628 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.008 25.868 -17.453 1.00 0.00 H new ATOM 905 N ASN A 59 -17.244 27.887 -10.472 1.00 0.00 N ATOM 906 CA ASN A 59 -17.525 28.028 -9.034 1.00 0.00 C ATOM 907 C ASN A 59 -18.980 27.641 -8.654 1.00 0.00 C ATOM 908 O ASN A 59 -19.287 27.386 -7.489 1.00 0.00 O ATOM 909 CB ASN A 59 -17.224 29.493 -8.665 1.00 0.00 C ATOM 910 CG ASN A 59 -17.440 29.890 -7.210 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.265 29.118 -6.278 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.767 31.141 -6.971 1.00 0.00 N ATOM 0 H ASN A 59 -17.054 28.780 -10.926 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.897 27.337 -8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.186 29.703 -8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.845 30.136 -9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.874 31.465 -6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.914 31.787 -7.747 1.00 0.00 H new ATOM 919 N GLY A 60 -19.879 27.577 -9.640 1.00 0.00 N ATOM 920 CA GLY A 60 -21.312 27.312 -9.466 1.00 0.00 C ATOM 921 C GLY A 60 -22.160 28.578 -9.294 1.00 0.00 C ATOM 922 O GLY A 60 -23.328 28.476 -8.913 1.00 0.00 O ATOM 0 H GLY A 60 -19.621 27.713 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.677 26.757 -10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.450 26.672 -8.594 1.00 0.00 H new ATOM 926 N MET A 61 -21.594 29.762 -9.569 1.00 0.00 N ATOM 927 CA MET A 61 -22.286 31.054 -9.529 1.00 0.00 C ATOM 928 C MET A 61 -22.422 31.658 -10.933 1.00 0.00 C ATOM 929 O MET A 61 -21.558 31.472 -11.790 1.00 0.00 O ATOM 930 CB MET A 61 -21.552 31.990 -8.550 1.00 0.00 C ATOM 931 CG MET A 61 -22.369 33.233 -8.164 1.00 0.00 C ATOM 932 SD MET A 61 -24.022 32.893 -7.489 1.00 0.00 S ATOM 933 CE MET A 61 -24.633 34.585 -7.264 1.00 0.00 C ATOM 0 H MET A 61 -20.612 29.847 -9.833 1.00 0.00 H new ATOM 0 HA MET A 61 -23.304 30.912 -9.166 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.302 31.434 -7.646 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.611 32.308 -9.000 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.804 33.805 -7.428 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.477 33.865 -9.045 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.673 34.556 -6.939 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.031 35.092 -6.510 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.563 35.126 -8.208 1.00 0.00 H new ATOM 943 N GLU A 62 -23.500 32.403 -11.174 1.00 0.00 N ATOM 944 CA GLU A 62 -23.717 33.141 -12.423 1.00 0.00 C ATOM 945 C GLU A 62 -22.691 34.278 -12.556 1.00 0.00 C ATOM 946 O GLU A 62 -22.720 35.255 -11.802 1.00 0.00 O ATOM 947 CB GLU A 62 -25.160 33.672 -12.492 1.00 0.00 C ATOM 948 CG GLU A 62 -26.186 32.537 -12.614 1.00 0.00 C ATOM 949 CD GLU A 62 -27.617 33.097 -12.727 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.273 33.318 -11.679 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.103 33.313 -13.864 1.00 0.00 O ATOM 0 H GLU A 62 -24.258 32.514 -10.501 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.574 32.462 -13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.373 34.259 -11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.259 34.343 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.959 31.929 -13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.115 31.883 -11.745 1.00 0.00 H new ATOM 958 N GLY A 63 -21.759 34.130 -13.499 1.00 0.00 N ATOM 959 CA GLY A 63 -20.744 35.128 -13.820 1.00 0.00 C ATOM 960 C GLY A 63 -21.225 36.151 -14.847 1.00 0.00 C ATOM 961 O GLY A 63 -21.988 35.817 -15.755 1.00 0.00 O ATOM 0 H GLY A 63 -21.690 33.290 -14.074 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.449 35.647 -12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.855 34.626 -14.202 1.00 0.00 H new ATOM 965 N THR A 64 -20.733 37.387 -14.760 1.00 0.00 N ATOM 966 CA THR A 64 -20.990 38.440 -15.760 1.00 0.00 C ATOM 967 C THR A 64 -19.767 38.697 -16.631 1.00 0.00 C ATOM 968 O THR A 64 -18.646 38.697 -16.129 1.00 0.00 O ATOM 969 CB THR A 64 -21.443 39.750 -15.100 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.592 39.526 -14.309 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.803 40.844 -16.111 1.00 0.00 C ATOM 0 H THR A 64 -20.139 37.695 -13.990 1.00 0.00 H new ATOM 0 HA THR A 64 -21.798 38.075 -16.395 1.00 0.00 H new ATOM 0 HB THR A 64 -20.595 40.086 -14.503 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.871 40.368 -13.892 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.115 41.743 -15.579 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.933 41.071 -16.727 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.618 40.498 -16.747 1.00 0.00 H new ATOM 979 N LEU A 65 -19.985 38.909 -17.930 1.00 0.00 N ATOM 980 CA LEU A 65 -18.949 39.090 -18.947 1.00 0.00 C ATOM 981 C LEU A 65 -18.005 40.275 -18.658 1.00 0.00 C ATOM 982 O LEU A 65 -18.448 41.425 -18.586 1.00 0.00 O ATOM 983 CB LEU A 65 -19.684 39.225 -20.294 1.00 0.00 C ATOM 984 CG LEU A 65 -18.793 39.193 -21.548 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.247 37.810 -21.826 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.601 39.640 -22.767 1.00 0.00 C ATOM 0 H LEU A 65 -20.927 38.961 -18.318 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.277 38.232 -18.956 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.415 38.420 -20.370 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.241 40.162 -20.291 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.957 39.867 -21.362 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.624 37.838 -22.720 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.649 37.478 -20.978 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.074 37.117 -21.981 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.966 39.616 -23.653 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.448 38.968 -22.909 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.966 40.655 -22.609 1.00 0.00 H new ATOM 998 N ILE A 66 -16.701 39.996 -18.534 1.00 0.00 N ATOM 999 CA ILE A 66 -15.611 40.978 -18.371 1.00 0.00 C ATOM 1000 C ILE A 66 -14.431 40.652 -19.298 1.00 0.00 C ATOM 1001 O ILE A 66 -14.207 39.498 -19.663 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.120 41.104 -16.903 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.275 39.920 -16.371 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.266 41.422 -15.933 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.903 38.549 -16.478 1.00 0.00 C ATOM 0 H ILE A 66 -16.357 39.036 -18.545 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.031 41.944 -18.651 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.434 41.950 -16.943 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.328 39.906 -16.910 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -14.042 40.109 -15.323 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.873 41.500 -14.919 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.731 42.366 -16.216 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.009 40.625 -15.974 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.219 37.803 -16.074 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.835 38.530 -15.913 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.109 38.324 -17.524 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.635 41.661 -19.646 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.377 41.508 -20.384 1.00 0.00 C ATOM 1019 C GLU A 67 -11.318 42.499 -19.870 1.00 0.00 C ATOM 1020 O GLU A 67 -11.614 43.679 -19.656 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.619 41.719 -21.889 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.333 40.550 -22.592 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.540 39.227 -22.563 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -11.305 39.247 -22.344 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.102 38.168 -22.922 1.00 0.00 O ATOM 0 H GLU A 67 -13.849 42.632 -19.419 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.004 40.497 -20.223 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.211 42.624 -22.025 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.660 41.889 -22.378 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.302 40.392 -22.119 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.525 40.825 -23.629 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.081 42.025 -19.679 1.00 0.00 N ATOM 1033 CA GLY A 68 -8.953 42.869 -19.243 1.00 0.00 C ATOM 1034 C GLY A 68 -7.701 42.150 -18.711 1.00 0.00 C ATOM 1035 O GLY A 68 -6.780 42.819 -18.239 1.00 0.00 O ATOM 0 H GLY A 68 -9.830 41.047 -19.821 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.652 43.492 -20.085 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.314 43.539 -18.463 1.00 0.00 H new ATOM 1039 N ASP A 69 -7.640 40.816 -18.758 1.00 0.00 N ATOM 1040 CA ASP A 69 -6.516 39.998 -18.301 1.00 0.00 C ATOM 1041 C ASP A 69 -6.450 38.695 -19.119 1.00 0.00 C ATOM 1042 O ASP A 69 -7.480 38.126 -19.486 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.653 39.722 -16.793 1.00 0.00 C ATOM 1044 CG ASP A 69 -5.561 38.777 -16.269 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -4.363 39.133 -16.360 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -5.907 37.673 -15.782 1.00 0.00 O ATOM 0 H ASP A 69 -8.405 40.254 -19.131 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.580 40.534 -18.458 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.606 40.665 -16.248 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.632 39.287 -16.593 1.00 0.00 H new ATOM 1051 N LEU A 70 -5.224 38.259 -19.403 1.00 0.00 N ATOM 1052 CA LEU A 70 -4.796 37.143 -20.254 1.00 0.00 C ATOM 1053 C LEU A 70 -5.655 35.861 -20.101 1.00 0.00 C ATOM 1054 O LEU A 70 -5.486 35.141 -19.111 1.00 0.00 O ATOM 1055 CB LEU A 70 -3.321 36.860 -19.882 1.00 0.00 C ATOM 1056 CG LEU A 70 -2.267 37.684 -20.652 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -2.459 39.199 -20.551 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -0.868 37.368 -20.118 1.00 0.00 C ATOM 0 H LEU A 70 -4.415 38.730 -18.999 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.918 37.426 -21.299 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.192 37.045 -18.816 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.120 35.802 -20.048 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.388 37.399 -21.697 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.678 39.703 -21.119 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.434 39.470 -20.955 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.402 39.504 -19.506 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.129 37.953 -20.666 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.817 37.620 -19.059 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.660 36.306 -20.249 1.00 0.00 H new ATOM 1070 N PRO A 71 -6.506 35.506 -21.092 1.00 0.00 N ATOM 1071 CA PRO A 71 -7.287 34.259 -21.119 1.00 0.00 C ATOM 1072 C PRO A 71 -6.429 33.031 -21.507 1.00 0.00 C ATOM 1073 O PRO A 71 -6.744 32.301 -22.448 1.00 0.00 O ATOM 1074 CB PRO A 71 -8.473 34.525 -22.072 1.00 0.00 C ATOM 1075 CG PRO A 71 -8.493 36.043 -22.241 1.00 0.00 C ATOM 1076 CD PRO A 71 -7.012 36.388 -22.134 1.00 0.00 C ATOM 0 HA PRO A 71 -7.657 33.995 -20.128 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.335 34.021 -23.028 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.410 34.160 -21.652 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.914 36.342 -23.201 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.084 36.533 -21.467 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.496 36.221 -23.080 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.867 37.436 -21.872 1.00 0.00 H new ATOM 1084 N GLU A 72 -5.292 32.842 -20.825 1.00 0.00 N ATOM 1085 CA GLU A 72 -4.094 32.135 -21.285 1.00 0.00 C ATOM 1086 C GLU A 72 -3.654 32.637 -22.680 1.00 0.00 C ATOM 1087 O GLU A 72 -3.762 31.931 -23.690 1.00 0.00 O ATOM 1088 CB GLU A 72 -4.300 30.625 -21.142 1.00 0.00 C ATOM 1089 CG GLU A 72 -4.064 30.142 -19.705 1.00 0.00 C ATOM 1090 CD GLU A 72 -4.158 28.606 -19.617 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -5.282 28.062 -19.478 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -3.105 27.925 -19.681 1.00 0.00 O ATOM 0 H GLU A 72 -5.179 33.202 -19.877 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.238 32.365 -20.651 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.314 30.368 -21.448 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.621 30.102 -21.816 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.082 30.470 -19.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.800 30.594 -19.040 1.00 0.00 H new ATOM 1099 N PRO A 73 -3.176 33.898 -22.708 1.00 0.00 N ATOM 1100 CA PRO A 73 -3.221 34.845 -23.823 1.00 0.00 C ATOM 1101 C PRO A 73 -4.474 34.895 -24.715 1.00 0.00 C ATOM 1102 O PRO A 73 -5.368 34.047 -24.660 1.00 0.00 O ATOM 1103 CB PRO A 73 -1.891 34.649 -24.541 1.00 0.00 C ATOM 1104 CG PRO A 73 -0.940 34.468 -23.348 1.00 0.00 C ATOM 1105 CD PRO A 73 -1.844 34.100 -22.159 1.00 0.00 C ATOM 0 HA PRO A 73 -3.342 35.855 -23.430 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.900 33.779 -25.197 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.623 35.508 -25.156 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.209 33.684 -23.544 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.381 35.382 -23.149 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.487 33.198 -21.663 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.847 34.894 -21.412 1.00 0.00 H new ATOM 1113 N LYS A 74 -4.578 35.968 -25.509 1.00 0.00 N ATOM 1114 CA LYS A 74 -5.770 36.268 -26.320 1.00 0.00 C ATOM 1115 C LYS A 74 -5.970 35.288 -27.481 1.00 0.00 C ATOM 1116 O LYS A 74 -5.009 34.771 -28.057 1.00 0.00 O ATOM 1117 CB LYS A 74 -5.762 37.730 -26.803 1.00 0.00 C ATOM 1118 CG LYS A 74 -4.648 38.058 -27.814 1.00 0.00 C ATOM 1119 CD LYS A 74 -4.814 39.492 -28.327 1.00 0.00 C ATOM 1120 CE LYS A 74 -3.628 39.930 -29.193 1.00 0.00 C ATOM 1121 NZ LYS A 74 -3.912 41.228 -29.856 1.00 0.00 N ATOM 0 H LYS A 74 -3.834 36.658 -25.609 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.631 36.134 -25.665 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.727 37.955 -27.258 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.656 38.385 -25.938 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.672 37.942 -27.343 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.685 37.358 -28.648 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.734 39.566 -28.907 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.916 40.171 -27.480 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.734 40.019 -28.576 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.421 39.169 -29.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.066 41.831 -29.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.171 41.061 -30.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.699 41.702 -29.368 1.00 0.00 H new ATOM 1135 N LYS A 75 -7.237 35.082 -27.841 1.00 0.00 N ATOM 1136 CA LYS A 75 -7.692 34.373 -29.049 1.00 0.00 C ATOM 1137 C LYS A 75 -8.395 35.374 -29.976 1.00 0.00 C ATOM 1138 O LYS A 75 -8.985 36.347 -29.505 1.00 0.00 O ATOM 1139 CB LYS A 75 -8.601 33.185 -28.667 1.00 0.00 C ATOM 1140 CG LYS A 75 -7.862 31.944 -28.126 1.00 0.00 C ATOM 1141 CD LYS A 75 -7.236 32.119 -26.731 1.00 0.00 C ATOM 1142 CE LYS A 75 -6.803 30.774 -26.141 1.00 0.00 C ATOM 1143 NZ LYS A 75 -6.136 30.947 -24.826 1.00 0.00 N ATOM 0 H LYS A 75 -8.015 35.419 -27.275 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.840 33.953 -29.584 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.314 33.521 -27.914 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.177 32.892 -29.544 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.562 31.109 -28.092 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.075 31.672 -28.830 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.374 32.783 -26.798 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.955 32.596 -26.065 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.674 30.128 -26.027 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.124 30.274 -26.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.008 30.018 -24.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.208 31.396 -24.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.724 31.549 -24.215 1.00 0.00 H new ATOM 1157 N VAL A 76 -8.309 35.154 -31.288 1.00 0.00 N ATOM 1158 CA VAL A 76 -8.880 36.045 -32.321 1.00 0.00 C ATOM 1159 C VAL A 76 -10.414 35.958 -32.416 1.00 0.00 C ATOM 1160 O VAL A 76 -11.016 34.977 -31.975 1.00 0.00 O ATOM 1161 CB VAL A 76 -8.229 35.804 -33.702 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -6.721 36.078 -33.660 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -8.461 34.387 -34.246 1.00 0.00 C ATOM 0 H VAL A 76 -7.834 34.340 -31.678 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.644 37.060 -32.001 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.719 36.505 -34.377 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.291 35.900 -34.646 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.547 37.114 -33.370 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.251 35.415 -32.934 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.977 34.287 -35.218 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.040 33.658 -33.554 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.531 34.209 -34.353 1.00 0.00 H new ATOM 1173 N LYS A 77 -11.031 36.976 -33.040 1.00 0.00 N ATOM 1174 CA LYS A 77 -12.457 37.047 -33.437 1.00 0.00 C ATOM 1175 C LYS A 77 -13.467 36.690 -32.313 1.00 0.00 C ATOM 1176 O LYS A 77 -14.012 35.582 -32.327 1.00 0.00 O ATOM 1177 CB LYS A 77 -12.679 36.215 -34.719 1.00 0.00 C ATOM 1178 CG LYS A 77 -11.861 36.734 -35.917 1.00 0.00 C ATOM 1179 CD LYS A 77 -12.201 36.018 -37.233 1.00 0.00 C ATOM 1180 CE LYS A 77 -11.830 34.528 -37.203 1.00 0.00 C ATOM 1181 NZ LYS A 77 -12.124 33.870 -38.503 1.00 0.00 N ATOM 0 H LYS A 77 -10.523 37.822 -33.298 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.673 38.095 -33.645 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.410 35.177 -34.524 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.738 36.227 -34.976 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.039 37.803 -36.035 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.799 36.609 -35.706 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.268 36.120 -37.434 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.674 36.504 -38.054 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.771 34.420 -36.970 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.384 34.029 -36.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.862 32.865 -38.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.139 33.953 -38.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.576 34.331 -39.257 1.00 0.00 H new ATOM 1195 N PRO A 78 -13.773 37.611 -31.372 1.00 0.00 N ATOM 1196 CA PRO A 78 -13.258 38.984 -31.275 1.00 0.00 C ATOM 1197 C PRO A 78 -11.788 39.055 -30.815 1.00 0.00 C ATOM 1198 O PRO A 78 -11.398 38.275 -29.942 1.00 0.00 O ATOM 1199 CB PRO A 78 -14.167 39.713 -30.272 1.00 0.00 C ATOM 1200 CG PRO A 78 -15.429 38.856 -30.223 1.00 0.00 C ATOM 1201 CD PRO A 78 -14.873 37.452 -30.429 1.00 0.00 C ATOM 0 HA PRO A 78 -13.271 39.446 -32.262 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.698 39.789 -29.291 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.387 40.729 -30.599 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -15.950 38.952 -29.270 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -16.139 39.131 -31.003 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.527 37.024 -29.488 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -15.636 36.780 -30.823 1.00 0.00 H new ATOM 1209 N PRO A 79 -10.974 39.989 -31.349 1.00 0.00 N ATOM 1210 CA PRO A 79 -9.598 40.233 -30.897 1.00 0.00 C ATOM 1211 C PRO A 79 -9.552 40.919 -29.516 1.00 0.00 C ATOM 1212 O PRO A 79 -10.590 41.218 -28.915 1.00 0.00 O ATOM 1213 CB PRO A 79 -8.983 41.099 -32.005 1.00 0.00 C ATOM 1214 CG PRO A 79 -10.169 41.930 -32.485 1.00 0.00 C ATOM 1215 CD PRO A 79 -11.330 40.940 -32.396 1.00 0.00 C ATOM 0 HA PRO A 79 -9.042 39.307 -30.749 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -8.176 41.727 -31.626 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -8.564 40.491 -32.807 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.333 42.804 -31.855 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.024 42.293 -33.502 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -12.261 41.453 -32.156 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.482 40.432 -33.348 1.00 0.00 H new ATOM 1223 N ARG A 80 -8.346 41.165 -28.988 1.00 0.00 N ATOM 1224 CA ARG A 80 -8.112 41.865 -27.708 1.00 0.00 C ATOM 1225 C ARG A 80 -6.920 42.832 -27.774 1.00 0.00 C ATOM 1226 O ARG A 80 -5.939 42.528 -28.491 1.00 0.00 O ATOM 1227 CB ARG A 80 -7.965 40.835 -26.564 1.00 0.00 C ATOM 1228 CG ARG A 80 -8.651 41.292 -25.265 1.00 0.00 C ATOM 1229 CD ARG A 80 -10.186 41.204 -25.319 1.00 0.00 C ATOM 1230 NE ARG A 80 -10.688 39.850 -25.015 1.00 0.00 N ATOM 1231 CZ ARG A 80 -11.110 38.914 -25.839 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -11.060 39.047 -27.131 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -11.610 37.817 -25.354 1.00 0.00 N ATOM 1234 OXT ARG A 80 -6.986 43.898 -27.122 1.00 0.00 O ATOM 0 H ARG A 80 -7.481 40.878 -29.447 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.982 42.488 -27.501 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -8.391 39.883 -26.880 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.907 40.662 -26.370 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.289 40.682 -24.438 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.361 42.321 -25.053 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.612 41.913 -24.609 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.529 41.500 -26.310 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.711 39.604 -24.025 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.683 39.901 -27.542 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.398 38.297 -27.734 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.672 37.688 -24.344 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.940 37.085 -25.983 1.00 0.00 H new TER 1248 ARG A 80