USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 752 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 76 ASN : amide:sc= -0.624 K(o=-1,f=-5.4!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -173:sc= -0.395 (180deg=-0.421) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0659 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 15 SER OG : rot 42:sc= 0.116 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot -106:sc= 1.55 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -108:sc= -0.391 (180deg=-1.43) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.325) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.013) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.271) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 111:sc= 0.0931 USER MOD Single : A 64 ASN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.703 K(o=-0.7,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.132 -17.921 -37.640 1.00 0.00 N ATOM 2 CA GLY A 1 -17.969 -17.119 -37.971 1.00 0.00 C ATOM 3 C GLY A 1 -18.192 -15.642 -37.718 1.00 0.00 C ATOM 4 O GLY A 1 -17.361 -14.979 -37.097 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.928 -18.923 -37.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.362 -17.800 -36.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.940 -17.616 -38.219 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.117 -17.460 -37.383 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.714 -17.270 -39.020 1.00 0.00 H new ATOM 8 N SER A 2 -19.316 -15.123 -38.201 1.00 0.00 N ATOM 9 CA SER A 2 -19.643 -13.712 -38.029 1.00 0.00 C ATOM 10 C SER A 2 -18.573 -12.825 -38.658 1.00 0.00 C ATOM 11 O SER A 2 -17.676 -13.310 -39.347 1.00 0.00 O ATOM 12 CB SER A 2 -19.789 -13.379 -36.543 1.00 0.00 C ATOM 13 OG SER A 2 -20.944 -12.593 -36.307 1.00 0.00 O ATOM 0 H SER A 2 -20.016 -15.658 -38.715 1.00 0.00 H new ATOM 0 HA SER A 2 -20.590 -13.520 -38.532 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.849 -14.301 -35.965 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.904 -12.843 -36.199 1.00 0.00 H new ATOM 0 HG SER A 2 -21.015 -12.395 -35.350 1.00 0.00 H new ATOM 19 N SER A 3 -18.675 -11.523 -38.415 1.00 0.00 N ATOM 20 CA SER A 3 -17.719 -10.566 -38.960 1.00 0.00 C ATOM 21 C SER A 3 -17.480 -9.420 -37.982 1.00 0.00 C ATOM 22 O SER A 3 -18.312 -8.524 -37.842 1.00 0.00 O ATOM 23 CB SER A 3 -18.222 -10.015 -40.296 1.00 0.00 C ATOM 24 OG SER A 3 -17.163 -9.440 -41.042 1.00 0.00 O ATOM 0 H SER A 3 -19.410 -11.106 -37.844 1.00 0.00 H new ATOM 0 HA SER A 3 -16.774 -11.085 -39.122 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.684 -10.816 -40.873 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.993 -9.266 -40.117 1.00 0.00 H new ATOM 0 HG SER A 3 -17.510 -9.097 -41.892 1.00 0.00 H new ATOM 30 N GLY A 4 -16.335 -9.456 -37.307 1.00 0.00 N ATOM 31 CA GLY A 4 -16.005 -8.416 -36.350 1.00 0.00 C ATOM 32 C GLY A 4 -17.081 -8.233 -35.298 1.00 0.00 C ATOM 33 O GLY A 4 -17.981 -7.408 -35.457 1.00 0.00 O ATOM 0 H GLY A 4 -15.630 -10.187 -37.406 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.062 -8.662 -35.862 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.854 -7.475 -36.879 1.00 0.00 H new ATOM 37 N SER A 5 -16.991 -9.007 -34.221 1.00 0.00 N ATOM 38 CA SER A 5 -17.967 -8.931 -33.141 1.00 0.00 C ATOM 39 C SER A 5 -17.372 -8.240 -31.917 1.00 0.00 C ATOM 40 O SER A 5 -16.434 -8.745 -31.300 1.00 0.00 O ATOM 41 CB SER A 5 -18.453 -10.332 -32.764 1.00 0.00 C ATOM 42 OG SER A 5 -19.345 -10.283 -31.663 1.00 0.00 O ATOM 0 H SER A 5 -16.252 -9.694 -34.073 1.00 0.00 H new ATOM 0 HA SER A 5 -18.815 -8.342 -33.492 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.950 -10.790 -33.619 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.599 -10.962 -32.516 1.00 0.00 H new ATOM 0 HG SER A 5 -19.643 -11.190 -31.442 1.00 0.00 H new ATOM 48 N SER A 6 -17.924 -7.081 -31.573 1.00 0.00 N ATOM 49 CA SER A 6 -17.446 -6.318 -30.426 1.00 0.00 C ATOM 50 C SER A 6 -18.301 -5.073 -30.208 1.00 0.00 C ATOM 51 O SER A 6 -18.915 -4.556 -31.140 1.00 0.00 O ATOM 52 CB SER A 6 -15.983 -5.917 -30.627 1.00 0.00 C ATOM 53 OG SER A 6 -15.633 -4.830 -29.789 1.00 0.00 O ATOM 0 H SER A 6 -18.702 -6.650 -32.072 1.00 0.00 H new ATOM 0 HA SER A 6 -17.524 -6.951 -29.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.337 -6.768 -30.413 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.817 -5.645 -31.669 1.00 0.00 H new ATOM 0 HG SER A 6 -14.693 -4.594 -29.935 1.00 0.00 H new ATOM 59 N GLY A 7 -18.334 -4.596 -28.967 1.00 0.00 N ATOM 60 CA GLY A 7 -19.116 -3.415 -28.647 1.00 0.00 C ATOM 61 C GLY A 7 -19.121 -3.109 -27.163 1.00 0.00 C ATOM 62 O GLY A 7 -18.904 -3.995 -26.337 1.00 0.00 O ATOM 0 H GLY A 7 -17.834 -5.006 -28.178 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.715 -2.559 -29.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.141 -3.558 -28.989 1.00 0.00 H new ATOM 66 N GLY A 8 -19.370 -1.848 -26.821 1.00 0.00 N ATOM 67 CA GLY A 8 -19.396 -1.448 -25.426 1.00 0.00 C ATOM 68 C GLY A 8 -20.084 -0.114 -25.218 1.00 0.00 C ATOM 69 O GLY A 8 -20.865 0.326 -26.061 1.00 0.00 O ATOM 0 H GLY A 8 -19.554 -1.096 -27.485 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -19.908 -2.212 -24.842 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -18.375 -1.389 -25.049 1.00 0.00 H new ATOM 73 N GLN A 9 -19.795 0.530 -24.092 1.00 0.00 N ATOM 74 CA GLN A 9 -20.395 1.821 -23.775 1.00 0.00 C ATOM 75 C GLN A 9 -19.320 2.862 -23.481 1.00 0.00 C ATOM 76 O GLN A 9 -18.132 2.543 -23.416 1.00 0.00 O ATOM 77 CB GLN A 9 -21.337 1.690 -22.577 1.00 0.00 C ATOM 78 CG GLN A 9 -22.670 2.394 -22.771 1.00 0.00 C ATOM 79 CD GLN A 9 -22.975 3.381 -21.661 1.00 0.00 C ATOM 80 OE1 GLN A 9 -22.793 3.081 -20.481 1.00 0.00 O ATOM 81 NE2 GLN A 9 -23.443 4.566 -22.035 1.00 0.00 N ATOM 0 H GLN A 9 -19.150 0.179 -23.384 1.00 0.00 H new ATOM 0 HA GLN A 9 -20.967 2.150 -24.642 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.519 0.633 -22.382 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.846 2.097 -21.693 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -22.664 2.918 -23.727 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -23.466 1.651 -22.820 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -23.578 4.772 -23.025 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -23.667 5.271 -21.332 1.00 0.00 H new ATOM 90 N LEU A 10 -19.744 4.109 -23.303 1.00 0.00 N ATOM 91 CA LEU A 10 -18.818 5.199 -23.016 1.00 0.00 C ATOM 92 C LEU A 10 -18.593 5.340 -21.514 1.00 0.00 C ATOM 93 O LEU A 10 -17.522 5.757 -21.073 1.00 0.00 O ATOM 94 CB LEU A 10 -19.352 6.512 -23.589 1.00 0.00 C ATOM 95 CG LEU A 10 -18.565 7.103 -24.760 1.00 0.00 C ATOM 96 CD1 LEU A 10 -19.328 8.260 -25.386 1.00 0.00 C ATOM 97 CD2 LEU A 10 -17.187 7.555 -24.302 1.00 0.00 C ATOM 0 H LEU A 10 -20.723 4.390 -23.352 1.00 0.00 H new ATOM 0 HA LEU A 10 -17.863 4.966 -23.488 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -20.381 6.352 -23.912 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -19.381 7.250 -22.787 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.438 6.328 -25.516 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -18.753 8.668 -26.217 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -20.292 7.905 -25.751 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.487 9.038 -24.639 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.641 7.973 -25.148 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.292 8.315 -23.527 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.639 6.702 -23.902 1.00 0.00 H new ATOM 109 N ASP A 11 -19.609 4.988 -20.733 1.00 0.00 N ATOM 110 CA ASP A 11 -19.521 5.072 -19.280 1.00 0.00 C ATOM 111 C ASP A 11 -19.878 3.737 -18.636 1.00 0.00 C ATOM 112 O ASP A 11 -21.018 3.519 -18.222 1.00 0.00 O ATOM 113 CB ASP A 11 -20.448 6.170 -18.755 1.00 0.00 C ATOM 114 CG ASP A 11 -19.738 7.500 -18.595 1.00 0.00 C ATOM 115 OD1 ASP A 11 -18.918 7.625 -17.662 1.00 0.00 O ATOM 116 OD2 ASP A 11 -20.003 8.415 -19.402 1.00 0.00 O ATOM 0 H ASP A 11 -20.503 4.642 -21.082 1.00 0.00 H new ATOM 0 HA ASP A 11 -18.492 5.318 -19.016 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -21.288 6.290 -19.439 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -20.861 5.864 -17.794 1.00 0.00 H new ATOM 121 N LEU A 12 -18.898 2.844 -18.554 1.00 0.00 N ATOM 122 CA LEU A 12 -19.108 1.528 -17.961 1.00 0.00 C ATOM 123 C LEU A 12 -18.756 1.537 -16.477 1.00 0.00 C ATOM 124 O LEU A 12 -17.581 1.527 -16.106 1.00 0.00 O ATOM 125 CB LEU A 12 -18.267 0.478 -18.690 1.00 0.00 C ATOM 126 CG LEU A 12 -19.009 -0.780 -19.141 1.00 0.00 C ATOM 127 CD1 LEU A 12 -19.555 -0.602 -20.549 1.00 0.00 C ATOM 128 CD2 LEU A 12 -18.093 -1.993 -19.072 1.00 0.00 C ATOM 0 H LEU A 12 -17.949 3.007 -18.891 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.163 1.275 -18.064 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.819 0.945 -19.567 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.449 0.178 -18.035 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.849 -0.945 -18.466 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.080 -1.508 -20.853 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.245 0.241 -20.568 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.731 -0.412 -21.237 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -18.638 -2.879 -19.397 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.233 -1.837 -19.723 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.751 -2.133 -18.047 1.00 0.00 H new ATOM 140 N LEU A 13 -19.780 1.554 -15.631 1.00 0.00 N ATOM 141 CA LEU A 13 -19.580 1.562 -14.187 1.00 0.00 C ATOM 142 C LEU A 13 -19.973 0.221 -13.575 1.00 0.00 C ATOM 143 O LEU A 13 -20.907 -0.434 -14.038 1.00 0.00 O ATOM 144 CB LEU A 13 -20.395 2.686 -13.545 1.00 0.00 C ATOM 145 CG LEU A 13 -19.626 3.627 -12.616 1.00 0.00 C ATOM 146 CD1 LEU A 13 -18.824 4.636 -13.424 1.00 0.00 C ATOM 147 CD2 LEU A 13 -20.580 4.337 -11.668 1.00 0.00 C ATOM 0 H LEU A 13 -20.758 1.563 -15.921 1.00 0.00 H new ATOM 0 HA LEU A 13 -18.521 1.733 -13.993 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.845 3.281 -14.340 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -21.212 2.238 -12.980 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.931 3.033 -12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -18.283 5.297 -12.747 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -18.113 4.110 -14.061 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -19.500 5.225 -14.044 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -20.016 5.002 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -21.300 4.919 -12.244 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -21.110 3.599 -11.065 1.00 0.00 H new ATOM 159 N ARG A 14 -19.254 -0.181 -12.532 1.00 0.00 N ATOM 160 CA ARG A 14 -19.528 -1.444 -11.856 1.00 0.00 C ATOM 161 C ARG A 14 -18.778 -1.524 -10.530 1.00 0.00 C ATOM 162 O ARG A 14 -19.387 -1.646 -9.467 1.00 0.00 O ATOM 163 CB ARG A 14 -19.134 -2.621 -12.750 1.00 0.00 C ATOM 164 CG ARG A 14 -19.755 -3.942 -12.327 1.00 0.00 C ATOM 165 CD ARG A 14 -19.777 -4.940 -13.474 1.00 0.00 C ATOM 166 NE ARG A 14 -18.839 -6.039 -13.261 1.00 0.00 N ATOM 167 CZ ARG A 14 -18.848 -7.161 -13.973 1.00 0.00 C ATOM 168 NH1 ARG A 14 -19.741 -7.330 -14.938 1.00 0.00 N ATOM 169 NH2 ARG A 14 -17.961 -8.115 -13.719 1.00 0.00 N ATOM 0 H ARG A 14 -18.478 0.349 -12.137 1.00 0.00 H new ATOM 0 HA ARG A 14 -20.598 -1.494 -11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -19.430 -2.402 -13.776 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -18.049 -2.722 -12.746 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.192 -4.359 -11.492 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -20.772 -3.771 -11.973 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -20.785 -5.340 -13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.531 -4.428 -14.404 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.139 -5.940 -12.526 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.423 -6.598 -15.135 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.746 -8.192 -15.483 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.273 -7.987 -12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.968 -8.976 -14.265 1.00 0.00 H new ATOM 183 N SER A 15 -17.453 -1.456 -10.600 1.00 0.00 N ATOM 184 CA SER A 15 -16.619 -1.526 -9.406 1.00 0.00 C ATOM 185 C SER A 15 -15.247 -0.910 -9.664 1.00 0.00 C ATOM 186 O SER A 15 -14.522 -1.337 -10.561 1.00 0.00 O ATOM 187 CB SER A 15 -16.461 -2.978 -8.952 1.00 0.00 C ATOM 188 OG SER A 15 -17.335 -3.275 -7.877 1.00 0.00 O ATOM 0 H SER A 15 -16.933 -1.352 -11.472 1.00 0.00 H new ATOM 0 HA SER A 15 -17.111 -0.958 -8.617 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.666 -3.648 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.430 -3.156 -8.646 1.00 0.00 H new ATOM 0 HG SER A 15 -18.210 -2.867 -8.045 1.00 0.00 H new ATOM 194 N ASN A 16 -14.899 0.097 -8.869 1.00 0.00 N ATOM 195 CA ASN A 16 -13.614 0.773 -9.011 1.00 0.00 C ATOM 196 C ASN A 16 -12.507 -0.009 -8.311 1.00 0.00 C ATOM 197 O ASN A 16 -12.482 -0.108 -7.083 1.00 0.00 O ATOM 198 CB ASN A 16 -13.694 2.190 -8.438 1.00 0.00 C ATOM 199 CG ASN A 16 -12.923 3.195 -9.272 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.498 3.904 -10.098 1.00 0.00 O ATOM 201 ND2 ASN A 16 -11.614 3.260 -9.059 1.00 0.00 N ATOM 0 H ASN A 16 -15.488 0.463 -8.121 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.377 0.830 -10.073 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -14.738 2.496 -8.378 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.303 2.190 -7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.043 3.917 -9.590 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.180 2.653 -8.364 1.00 0.00 H new ATOM 208 N THR A 17 -11.592 -0.564 -9.099 1.00 0.00 N ATOM 209 CA THR A 17 -10.483 -1.337 -8.556 1.00 0.00 C ATOM 210 C THR A 17 -9.213 -0.497 -8.475 1.00 0.00 C ATOM 211 O THR A 17 -8.380 -0.697 -7.592 1.00 0.00 O ATOM 212 CB THR A 17 -10.202 -2.590 -9.407 1.00 0.00 C ATOM 213 OG1 THR A 17 -9.268 -3.441 -8.733 1.00 0.00 O ATOM 214 CG2 THR A 17 -9.651 -2.205 -10.772 1.00 0.00 C ATOM 0 H THR A 17 -11.597 -0.492 -10.116 1.00 0.00 H new ATOM 0 HA THR A 17 -10.775 -1.646 -7.552 1.00 0.00 H new ATOM 0 HB THR A 17 -11.142 -3.123 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.396 -3.386 -9.177 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.460 -3.106 -11.355 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.377 -1.582 -11.295 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.721 -1.651 -10.646 1.00 0.00 H new ATOM 222 N GLY A 18 -9.073 0.446 -9.402 1.00 0.00 N ATOM 223 CA GLY A 18 -7.902 1.303 -9.417 1.00 0.00 C ATOM 224 C GLY A 18 -6.849 0.829 -10.399 1.00 0.00 C ATOM 225 O GLY A 18 -7.170 0.416 -11.514 1.00 0.00 O ATOM 0 H GLY A 18 -9.749 0.632 -10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.202 2.319 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.471 1.341 -8.417 1.00 0.00 H new ATOM 229 N LEU A 19 -5.588 0.891 -9.986 1.00 0.00 N ATOM 230 CA LEU A 19 -4.483 0.466 -10.838 1.00 0.00 C ATOM 231 C LEU A 19 -3.813 -0.785 -10.278 1.00 0.00 C ATOM 232 O LEU A 19 -3.880 -1.053 -9.078 1.00 0.00 O ATOM 233 CB LEU A 19 -3.455 1.591 -10.974 1.00 0.00 C ATOM 234 CG LEU A 19 -3.568 2.454 -12.231 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.383 3.924 -11.887 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.547 2.016 -13.272 1.00 0.00 C ATOM 0 H LEU A 19 -5.305 1.231 -9.067 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.887 0.230 -11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.539 2.240 -10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.458 1.151 -10.948 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.565 2.322 -12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.467 4.523 -12.794 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.151 4.231 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.399 4.073 -11.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.642 2.641 -14.160 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.542 2.118 -12.862 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.725 0.975 -13.541 1.00 0.00 H new ATOM 248 N LEU A 20 -3.166 -1.546 -11.154 1.00 0.00 N ATOM 249 CA LEU A 20 -2.481 -2.768 -10.747 1.00 0.00 C ATOM 250 C LEU A 20 -0.980 -2.533 -10.617 1.00 0.00 C ATOM 251 O LEU A 20 -0.414 -1.677 -11.296 1.00 0.00 O ATOM 252 CB LEU A 20 -2.748 -3.886 -11.757 1.00 0.00 C ATOM 253 CG LEU A 20 -2.406 -5.303 -11.295 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.144 -5.638 -10.008 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.740 -6.313 -12.382 1.00 0.00 C ATOM 0 H LEU A 20 -3.101 -1.338 -12.151 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.869 -3.066 -9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.803 -3.859 -12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.180 -3.674 -12.663 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.335 -5.352 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.888 -6.650 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.855 -4.933 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.219 -5.571 -10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.490 -7.316 -12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.805 -6.263 -12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.165 -6.085 -13.280 1.00 0.00 H new ATOM 267 N TYR A 21 -0.340 -3.300 -9.741 1.00 0.00 N ATOM 268 CA TYR A 21 1.096 -3.175 -9.521 1.00 0.00 C ATOM 269 C TYR A 21 1.757 -4.548 -9.452 1.00 0.00 C ATOM 270 O TYR A 21 1.104 -5.551 -9.164 1.00 0.00 O ATOM 271 CB TYR A 21 1.370 -2.399 -8.232 1.00 0.00 C ATOM 272 CG TYR A 21 1.502 -0.907 -8.439 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.387 -0.079 -8.398 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.741 -0.326 -8.679 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.503 1.285 -8.588 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.867 1.036 -8.868 1.00 0.00 C ATOM 277 CZ TYR A 21 1.745 1.837 -8.822 1.00 0.00 C ATOM 278 OH TYR A 21 1.865 3.195 -9.012 1.00 0.00 O ATOM 0 H TYR A 21 -0.793 -4.015 -9.172 1.00 0.00 H new ATOM 0 HA TYR A 21 1.521 -2.629 -10.363 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.562 -2.589 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.286 -2.777 -7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.587 -0.509 -8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.621 -0.951 -8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.374 1.915 -8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.838 1.472 -9.051 1.00 0.00 H new ATOM 0 HH TYR A 21 2.806 3.422 -9.164 1.00 0.00 H new ATOM 288 N ARG A 22 3.059 -4.584 -9.717 1.00 0.00 N ATOM 289 CA ARG A 22 3.811 -5.833 -9.686 1.00 0.00 C ATOM 290 C ARG A 22 5.296 -5.568 -9.458 1.00 0.00 C ATOM 291 O ARG A 22 5.794 -4.480 -9.748 1.00 0.00 O ATOM 292 CB ARG A 22 3.614 -6.604 -10.992 1.00 0.00 C ATOM 293 CG ARG A 22 2.380 -7.492 -10.996 1.00 0.00 C ATOM 294 CD ARG A 22 2.356 -8.408 -12.209 1.00 0.00 C ATOM 295 NE ARG A 22 1.231 -8.115 -13.094 1.00 0.00 N ATOM 296 CZ ARG A 22 1.177 -8.496 -14.365 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.179 -9.182 -14.898 1.00 0.00 N ATOM 298 NH2 ARG A 22 0.119 -8.192 -15.106 1.00 0.00 N ATOM 0 H ARG A 22 3.615 -3.763 -9.956 1.00 0.00 H new ATOM 0 HA ARG A 22 3.436 -6.434 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.543 -5.894 -11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.494 -7.219 -11.177 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.359 -8.091 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.484 -6.871 -10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.289 -8.302 -12.762 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.297 -9.445 -11.879 1.00 0.00 H new ATOM 0 HE ARG A 22 0.444 -7.589 -12.715 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.994 -9.418 -14.331 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.135 -9.473 -15.874 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.654 -7.665 -14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.079 -8.485 -16.082 1.00 0.00 H new ATOM 312 N ILE A 23 5.997 -6.569 -8.936 1.00 0.00 N ATOM 313 CA ILE A 23 7.425 -6.444 -8.670 1.00 0.00 C ATOM 314 C ILE A 23 8.247 -6.794 -9.906 1.00 0.00 C ATOM 315 O ILE A 23 7.792 -7.533 -10.779 1.00 0.00 O ATOM 316 CB ILE A 23 7.861 -7.349 -7.503 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.488 -8.805 -7.791 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.225 -6.881 -6.203 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.427 -9.807 -7.156 1.00 0.00 C ATOM 0 H ILE A 23 5.600 -7.475 -8.689 1.00 0.00 H new ATOM 0 HA ILE A 23 7.606 -5.404 -8.399 1.00 0.00 H new ATOM 0 HB ILE A 23 8.944 -7.285 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.476 -8.990 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.477 -8.962 -8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.543 -7.531 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.536 -5.858 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.140 -6.919 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.101 -10.818 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.437 -9.649 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.420 -9.677 -6.074 1.00 0.00 H new ATOM 331 N LYS A 24 9.462 -6.260 -9.972 1.00 0.00 N ATOM 332 CA LYS A 24 10.351 -6.518 -11.098 1.00 0.00 C ATOM 333 C LYS A 24 11.418 -7.542 -10.726 1.00 0.00 C ATOM 334 O LYS A 24 12.170 -7.350 -9.771 1.00 0.00 O ATOM 335 CB LYS A 24 11.015 -5.218 -11.558 1.00 0.00 C ATOM 336 CG LYS A 24 11.098 -5.078 -13.068 1.00 0.00 C ATOM 337 CD LYS A 24 12.317 -5.791 -13.628 1.00 0.00 C ATOM 338 CE LYS A 24 12.082 -6.259 -15.056 1.00 0.00 C ATOM 339 NZ LYS A 24 12.363 -7.712 -15.217 1.00 0.00 N ATOM 0 H LYS A 24 9.853 -5.645 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 24 9.754 -6.923 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.458 -4.373 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.021 -5.166 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.196 -5.487 -13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.139 -4.022 -13.335 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.176 -5.121 -13.600 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.560 -6.647 -12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.049 -6.055 -15.340 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.717 -5.689 -15.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.191 -7.992 -16.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.355 -7.903 -14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.739 -8.258 -14.589 1.00 0.00 H new ATOM 353 N ASP A 25 11.478 -8.629 -11.487 1.00 0.00 N ATOM 354 CA ASP A 25 12.455 -9.683 -11.239 1.00 0.00 C ATOM 355 C ASP A 25 12.300 -10.246 -9.829 1.00 0.00 C ATOM 356 O ASP A 25 11.385 -9.871 -9.097 1.00 0.00 O ATOM 357 CB ASP A 25 13.875 -9.149 -11.435 1.00 0.00 C ATOM 358 CG ASP A 25 14.635 -9.903 -12.508 1.00 0.00 C ATOM 359 OD1 ASP A 25 14.068 -10.112 -13.601 1.00 0.00 O ATOM 360 OD2 ASP A 25 15.796 -10.285 -12.255 1.00 0.00 O ATOM 0 H ASP A 25 10.862 -8.804 -12.281 1.00 0.00 H new ATOM 0 HA ASP A 25 12.276 -10.486 -11.954 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.829 -8.093 -11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.419 -9.217 -10.493 1.00 0.00 H new ATOM 365 N SER A 26 13.201 -11.150 -9.457 1.00 0.00 N ATOM 366 CA SER A 26 13.162 -11.769 -8.137 1.00 0.00 C ATOM 367 C SER A 26 14.563 -12.160 -7.678 1.00 0.00 C ATOM 368 O SER A 26 14.776 -13.260 -7.169 1.00 0.00 O ATOM 369 CB SER A 26 12.256 -13.002 -8.155 1.00 0.00 C ATOM 370 OG SER A 26 11.737 -13.273 -6.865 1.00 0.00 O ATOM 0 H SER A 26 13.966 -11.470 -10.051 1.00 0.00 H new ATOM 0 HA SER A 26 12.759 -11.041 -7.434 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.435 -12.844 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.818 -13.865 -8.513 1.00 0.00 H new ATOM 0 HG SER A 26 11.160 -14.064 -6.904 1.00 0.00 H new ATOM 376 N GLN A 27 15.515 -11.251 -7.863 1.00 0.00 N ATOM 377 CA GLN A 27 16.896 -11.500 -7.469 1.00 0.00 C ATOM 378 C GLN A 27 17.570 -10.214 -7.001 1.00 0.00 C ATOM 379 O GLN A 27 18.036 -10.124 -5.867 1.00 0.00 O ATOM 380 CB GLN A 27 17.679 -12.106 -8.635 1.00 0.00 C ATOM 381 CG GLN A 27 18.091 -13.551 -8.406 1.00 0.00 C ATOM 382 CD GLN A 27 17.686 -14.461 -9.548 1.00 0.00 C ATOM 383 OE1 GLN A 27 16.623 -15.082 -9.516 1.00 0.00 O ATOM 384 NE2 GLN A 27 18.533 -14.545 -10.568 1.00 0.00 N ATOM 0 H GLN A 27 15.355 -10.336 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 27 16.889 -12.206 -6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.071 -12.049 -9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.572 -11.506 -8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.172 -13.600 -8.273 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.640 -13.911 -7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 27 19.403 -14.013 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.313 -15.141 -11.366 1.00 0.00 H new ATOM 393 N ASN A 28 17.617 -9.222 -7.885 1.00 0.00 N ATOM 394 CA ASN A 28 18.235 -7.941 -7.562 1.00 0.00 C ATOM 395 C ASN A 28 17.397 -7.174 -6.544 1.00 0.00 C ATOM 396 O ASN A 28 16.295 -6.718 -6.848 1.00 0.00 O ATOM 397 CB ASN A 28 18.410 -7.102 -8.830 1.00 0.00 C ATOM 398 CG ASN A 28 18.808 -7.942 -10.028 1.00 0.00 C ATOM 399 OD1 ASN A 28 18.167 -7.890 -11.078 1.00 0.00 O ATOM 400 ND2 ASN A 28 19.872 -8.723 -9.876 1.00 0.00 N ATOM 0 H ASN A 28 17.235 -9.281 -8.829 1.00 0.00 H new ATOM 0 HA ASN A 28 19.214 -8.138 -7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.478 -6.580 -9.049 1.00 0.00 H new ATOM 0 HB3 ASN A 28 19.169 -6.339 -8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.187 -9.311 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.373 -8.735 -8.988 1.00 0.00 H new ATOM 407 N ALA A 29 17.928 -7.035 -5.333 1.00 0.00 N ATOM 408 CA ALA A 29 17.230 -6.322 -4.271 1.00 0.00 C ATOM 409 C ALA A 29 18.171 -6.005 -3.113 1.00 0.00 C ATOM 410 O ALA A 29 18.059 -6.584 -2.033 1.00 0.00 O ATOM 411 CB ALA A 29 16.042 -7.135 -3.780 1.00 0.00 C ATOM 0 H ALA A 29 18.839 -7.407 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 29 16.866 -5.379 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.531 -6.589 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.352 -7.306 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.391 -8.093 -3.395 1.00 0.00 H new ATOM 417 N GLY A 30 19.100 -5.083 -3.346 1.00 0.00 N ATOM 418 CA GLY A 30 20.047 -4.706 -2.313 1.00 0.00 C ATOM 419 C GLY A 30 20.468 -3.253 -2.414 1.00 0.00 C ATOM 420 O GLY A 30 21.545 -2.877 -1.950 1.00 0.00 O ATOM 0 H GLY A 30 19.214 -4.590 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.602 -4.885 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.929 -5.342 -2.383 1.00 0.00 H new ATOM 424 N LYS A 31 19.617 -2.434 -3.022 1.00 0.00 N ATOM 425 CA LYS A 31 19.906 -1.013 -3.183 1.00 0.00 C ATOM 426 C LYS A 31 18.733 -0.163 -2.705 1.00 0.00 C ATOM 427 O LYS A 31 18.478 0.916 -3.240 1.00 0.00 O ATOM 428 CB LYS A 31 20.214 -0.698 -4.649 1.00 0.00 C ATOM 429 CG LYS A 31 21.413 -1.454 -5.195 1.00 0.00 C ATOM 430 CD LYS A 31 21.000 -2.772 -5.826 1.00 0.00 C ATOM 431 CE LYS A 31 22.009 -3.231 -6.868 1.00 0.00 C ATOM 432 NZ LYS A 31 23.161 -3.943 -6.249 1.00 0.00 N ATOM 0 H LYS A 31 18.722 -2.729 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 31 20.778 -0.773 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.339 -0.935 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.392 0.372 -4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.925 -0.840 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 31 22.123 -1.642 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.903 -3.533 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 31 20.020 -2.663 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.517 -3.890 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.373 -2.368 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.826 -4.239 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.646 -3.307 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.817 -4.781 -5.738 1.00 0.00 H new ATOM 446 N MET A 32 18.025 -0.654 -1.693 1.00 0.00 N ATOM 447 CA MET A 32 16.882 0.063 -1.142 1.00 0.00 C ATOM 448 C MET A 32 17.337 1.285 -0.350 1.00 0.00 C ATOM 449 O MET A 32 18.497 1.381 0.052 1.00 0.00 O ATOM 450 CB MET A 32 16.057 -0.862 -0.244 1.00 0.00 C ATOM 451 CG MET A 32 14.751 -1.315 -0.877 1.00 0.00 C ATOM 452 SD MET A 32 13.355 -1.203 0.258 1.00 0.00 S ATOM 453 CE MET A 32 12.038 -1.865 -0.759 1.00 0.00 C ATOM 0 H MET A 32 18.223 -1.545 -1.238 1.00 0.00 H new ATOM 0 HA MET A 32 16.262 0.400 -1.973 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.654 -1.739 0.006 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.839 -0.347 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 32 14.548 -0.706 -1.758 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.855 -2.345 -1.219 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.369 -1.058 -1.058 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.464 -2.331 -1.648 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.479 -2.609 -0.191 1.00 0.00 H new ATOM 463 N LYS A 33 16.417 2.218 -0.129 1.00 0.00 N ATOM 464 CA LYS A 33 16.723 3.434 0.615 1.00 0.00 C ATOM 465 C LYS A 33 16.097 3.393 2.005 1.00 0.00 C ATOM 466 O LYS A 33 15.581 2.361 2.434 1.00 0.00 O ATOM 467 CB LYS A 33 16.220 4.662 -0.146 1.00 0.00 C ATOM 468 CG LYS A 33 17.233 5.792 -0.215 1.00 0.00 C ATOM 469 CD LYS A 33 16.557 7.152 -0.151 1.00 0.00 C ATOM 470 CE LYS A 33 17.353 8.130 0.700 1.00 0.00 C ATOM 471 NZ LYS A 33 17.031 7.995 2.148 1.00 0.00 N ATOM 0 H LYS A 33 15.453 2.155 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 33 17.805 3.500 0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.950 4.365 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.312 5.028 0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.941 5.698 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.806 5.712 -1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.445 7.552 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.554 7.042 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.419 7.960 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.143 9.149 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.357 8.842 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.003 7.894 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.508 7.155 2.533 1.00 0.00 H new ATOM 485 N GLY A 34 16.144 4.523 2.705 1.00 0.00 N ATOM 486 CA GLY A 34 15.577 4.594 4.038 1.00 0.00 C ATOM 487 C GLY A 34 14.118 4.183 4.070 1.00 0.00 C ATOM 488 O GLY A 34 13.533 3.863 3.036 1.00 0.00 O ATOM 0 H GLY A 34 16.565 5.390 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.148 3.950 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.673 5.612 4.417 1.00 0.00 H new ATOM 492 N SER A 35 13.529 4.190 5.262 1.00 0.00 N ATOM 493 CA SER A 35 12.131 3.810 5.426 1.00 0.00 C ATOM 494 C SER A 35 11.883 2.405 4.885 1.00 0.00 C ATOM 495 O SER A 35 10.833 2.127 4.305 1.00 0.00 O ATOM 496 CB SER A 35 11.221 4.811 4.711 1.00 0.00 C ATOM 497 OG SER A 35 11.590 6.144 5.018 1.00 0.00 O ATOM 0 H SER A 35 13.998 4.455 6.128 1.00 0.00 H new ATOM 0 HA SER A 35 11.901 3.817 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.277 4.654 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.185 4.640 5.005 1.00 0.00 H new ATOM 0 HG SER A 35 10.995 6.765 4.548 1.00 0.00 H new ATOM 503 N ASP A 36 12.857 1.523 5.079 1.00 0.00 N ATOM 504 CA ASP A 36 12.746 0.145 4.613 1.00 0.00 C ATOM 505 C ASP A 36 11.642 -0.594 5.361 1.00 0.00 C ATOM 506 O ASP A 36 11.047 -1.536 4.838 1.00 0.00 O ATOM 507 CB ASP A 36 14.078 -0.585 4.792 1.00 0.00 C ATOM 508 CG ASP A 36 14.499 -0.674 6.246 1.00 0.00 C ATOM 509 OD1 ASP A 36 13.926 -1.508 6.979 1.00 0.00 O ATOM 510 OD2 ASP A 36 15.400 0.089 6.650 1.00 0.00 O ATOM 0 H ASP A 36 13.733 1.737 5.556 1.00 0.00 H new ATOM 0 HA ASP A 36 12.491 0.165 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.997 -1.590 4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.851 -0.068 4.224 1.00 0.00 H new ATOM 515 N ASN A 37 11.373 -0.161 6.589 1.00 0.00 N ATOM 516 CA ASN A 37 10.341 -0.784 7.409 1.00 0.00 C ATOM 517 C ASN A 37 8.955 -0.543 6.817 1.00 0.00 C ATOM 518 O ASN A 37 8.079 -1.403 6.896 1.00 0.00 O ATOM 519 CB ASN A 37 10.398 -0.238 8.838 1.00 0.00 C ATOM 520 CG ASN A 37 11.592 -0.765 9.610 1.00 0.00 C ATOM 521 OD1 ASN A 37 12.702 -0.248 9.486 1.00 0.00 O ATOM 522 ND2 ASN A 37 11.368 -1.798 10.413 1.00 0.00 N ATOM 0 H ASN A 37 11.855 0.618 7.037 1.00 0.00 H new ATOM 0 HA ASN A 37 10.527 -1.858 7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.441 0.851 8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.482 -0.506 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.133 -2.195 10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.431 -2.195 10.484 1.00 0.00 H new ATOM 529 N GLN A 38 8.768 0.631 6.223 1.00 0.00 N ATOM 530 CA GLN A 38 7.489 0.984 5.617 1.00 0.00 C ATOM 531 C GLN A 38 7.456 0.584 4.145 1.00 0.00 C ATOM 532 O GLN A 38 6.395 0.281 3.599 1.00 0.00 O ATOM 533 CB GLN A 38 7.233 2.485 5.755 1.00 0.00 C ATOM 534 CG GLN A 38 5.998 2.818 6.578 1.00 0.00 C ATOM 535 CD GLN A 38 6.155 2.452 8.040 1.00 0.00 C ATOM 536 OE1 GLN A 38 6.761 3.192 8.816 1.00 0.00 O ATOM 537 NE2 GLN A 38 5.609 1.305 8.425 1.00 0.00 N ATOM 0 H GLN A 38 9.484 1.353 6.148 1.00 0.00 H new ATOM 0 HA GLN A 38 6.704 0.439 6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.103 2.953 6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.125 2.920 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.787 3.884 6.495 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.138 2.290 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.116 0.723 7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.683 1.006 9.397 1.00 0.00 H new ATOM 546 N GLU A 39 8.623 0.586 3.509 1.00 0.00 N ATOM 547 CA GLU A 39 8.726 0.224 2.101 1.00 0.00 C ATOM 548 C GLU A 39 8.596 -1.285 1.915 1.00 0.00 C ATOM 549 O GLU A 39 7.890 -1.754 1.023 1.00 0.00 O ATOM 550 CB GLU A 39 10.058 0.708 1.523 1.00 0.00 C ATOM 551 CG GLU A 39 10.024 2.147 1.037 1.00 0.00 C ATOM 552 CD GLU A 39 11.177 2.477 0.110 1.00 0.00 C ATOM 553 OE1 GLU A 39 11.274 1.846 -0.964 1.00 0.00 O ATOM 554 OE2 GLU A 39 11.983 3.366 0.457 1.00 0.00 O ATOM 0 H GLU A 39 9.510 0.834 3.947 1.00 0.00 H new ATOM 0 HA GLU A 39 7.909 0.709 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.832 0.609 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.341 0.060 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.083 2.329 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.050 2.817 1.896 1.00 0.00 H new ATOM 561 N LYS A 40 9.284 -2.040 2.765 1.00 0.00 N ATOM 562 CA LYS A 40 9.248 -3.496 2.697 1.00 0.00 C ATOM 563 C LYS A 40 7.822 -4.013 2.862 1.00 0.00 C ATOM 564 O LYS A 40 7.420 -4.976 2.208 1.00 0.00 O ATOM 565 CB LYS A 40 10.148 -4.100 3.777 1.00 0.00 C ATOM 566 CG LYS A 40 11.629 -4.026 3.445 1.00 0.00 C ATOM 567 CD LYS A 40 12.488 -4.198 4.687 1.00 0.00 C ATOM 568 CE LYS A 40 12.921 -5.645 4.869 1.00 0.00 C ATOM 569 NZ LYS A 40 14.345 -5.850 4.485 1.00 0.00 N ATOM 0 H LYS A 40 9.873 -1.667 3.509 1.00 0.00 H new ATOM 0 HA LYS A 40 9.615 -3.798 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.969 -3.582 4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.870 -5.143 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.879 -4.799 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.851 -3.066 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.369 -3.560 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.930 -3.871 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.779 -5.938 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.285 -6.293 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.602 -6.848 4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.475 -5.594 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.954 -5.251 5.078 1.00 0.00 H new ATOM 583 N LEU A 41 7.061 -3.366 3.739 1.00 0.00 N ATOM 584 CA LEU A 41 5.679 -3.759 3.989 1.00 0.00 C ATOM 585 C LEU A 41 4.854 -3.695 2.707 1.00 0.00 C ATOM 586 O LEU A 41 3.857 -4.403 2.562 1.00 0.00 O ATOM 587 CB LEU A 41 5.056 -2.857 5.055 1.00 0.00 C ATOM 588 CG LEU A 41 3.565 -3.063 5.322 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.297 -4.487 5.785 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.063 -2.062 6.353 1.00 0.00 C ATOM 0 H LEU A 41 7.378 -2.567 4.288 1.00 0.00 H new ATOM 0 HA LEU A 41 5.680 -4.788 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.596 -3.007 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.212 -1.819 4.760 1.00 0.00 H new ATOM 0 HG LEU A 41 3.023 -2.897 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.230 -4.615 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.618 -5.187 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.851 -4.681 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.000 -2.224 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.611 -2.195 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.219 -1.049 5.982 1.00 0.00 H new ATOM 602 N VAL A 42 5.278 -2.843 1.779 1.00 0.00 N ATOM 603 CA VAL A 42 4.581 -2.688 0.508 1.00 0.00 C ATOM 604 C VAL A 42 5.142 -3.637 -0.546 1.00 0.00 C ATOM 605 O VAL A 42 4.395 -4.357 -1.209 1.00 0.00 O ATOM 606 CB VAL A 42 4.680 -1.243 -0.015 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.938 -1.100 -1.334 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.141 -0.265 1.019 1.00 0.00 C ATOM 0 H VAL A 42 6.101 -2.250 1.884 1.00 0.00 H new ATOM 0 HA VAL A 42 3.534 -2.929 0.691 1.00 0.00 H new ATOM 0 HB VAL A 42 5.730 -1.009 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.019 -0.072 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.374 -1.773 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.887 -1.352 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.218 0.752 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.096 -0.495 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.722 -0.350 1.937 1.00 0.00 H new ATOM 618 N TYR A 43 6.462 -3.634 -0.693 1.00 0.00 N ATOM 619 CA TYR A 43 7.124 -4.494 -1.667 1.00 0.00 C ATOM 620 C TYR A 43 6.818 -5.963 -1.395 1.00 0.00 C ATOM 621 O TYR A 43 6.832 -6.790 -2.306 1.00 0.00 O ATOM 622 CB TYR A 43 8.636 -4.262 -1.639 1.00 0.00 C ATOM 623 CG TYR A 43 9.377 -4.963 -2.754 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.820 -6.272 -2.606 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.636 -4.317 -3.957 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.498 -6.917 -3.622 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.312 -4.955 -4.979 1.00 0.00 C ATOM 628 CZ TYR A 43 10.741 -6.254 -4.807 1.00 0.00 C ATOM 629 OH TYR A 43 11.416 -6.892 -5.822 1.00 0.00 O ATOM 0 H TYR A 43 7.095 -3.046 -0.150 1.00 0.00 H new ATOM 0 HA TYR A 43 6.742 -4.240 -2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.832 -3.192 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.030 -4.603 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.631 -6.794 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.303 -3.299 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.836 -7.934 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.503 -4.439 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 43 11.503 -6.287 -6.588 1.00 0.00 H new ATOM 639 N GLN A 44 6.542 -6.279 -0.134 1.00 0.00 N ATOM 640 CA GLN A 44 6.232 -7.648 0.260 1.00 0.00 C ATOM 641 C GLN A 44 4.871 -8.075 -0.279 1.00 0.00 C ATOM 642 O GLN A 44 4.715 -9.185 -0.789 1.00 0.00 O ATOM 643 CB GLN A 44 6.254 -7.781 1.784 1.00 0.00 C ATOM 644 CG GLN A 44 7.655 -7.878 2.366 1.00 0.00 C ATOM 645 CD GLN A 44 8.093 -9.310 2.597 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.206 -9.761 3.738 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.342 -10.036 1.513 1.00 0.00 N ATOM 0 H GLN A 44 6.527 -5.606 0.632 1.00 0.00 H new ATOM 0 HA GLN A 44 6.993 -8.302 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.746 -6.922 2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.688 -8.667 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.359 -7.391 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.691 -7.334 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.236 -9.622 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.640 -11.007 1.607 1.00 0.00 H new ATOM 656 N ILE A 45 3.889 -7.187 -0.163 1.00 0.00 N ATOM 657 CA ILE A 45 2.541 -7.473 -0.640 1.00 0.00 C ATOM 658 C ILE A 45 2.503 -7.558 -2.162 1.00 0.00 C ATOM 659 O ILE A 45 1.763 -8.361 -2.730 1.00 0.00 O ATOM 660 CB ILE A 45 1.540 -6.400 -0.172 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.579 -6.265 1.351 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.135 -6.746 -0.642 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.832 -5.056 1.870 1.00 0.00 C ATOM 0 H ILE A 45 4.001 -6.264 0.257 1.00 0.00 H new ATOM 0 HA ILE A 45 2.254 -8.436 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 45 1.824 -5.443 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.155 -7.164 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.618 -6.207 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.561 -5.979 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.118 -6.797 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.160 -7.711 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.902 -5.024 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.270 -4.150 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.215 -5.122 1.576 1.00 0.00 H new ATOM 675 N ILE A 46 3.307 -6.726 -2.816 1.00 0.00 N ATOM 676 CA ILE A 46 3.367 -6.709 -4.272 1.00 0.00 C ATOM 677 C ILE A 46 4.146 -7.908 -4.804 1.00 0.00 C ATOM 678 O ILE A 46 3.842 -8.432 -5.875 1.00 0.00 O ATOM 679 CB ILE A 46 4.020 -5.415 -4.794 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.258 -4.192 -4.280 1.00 0.00 C ATOM 681 CG2 ILE A 46 4.062 -5.420 -6.315 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.008 -2.891 -4.468 1.00 0.00 C ATOM 0 H ILE A 46 3.926 -6.055 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 46 2.339 -6.758 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 46 5.043 -5.365 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.300 -4.128 -4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.041 -4.328 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.526 -4.499 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.643 -6.275 -6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.047 -5.489 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.409 -2.067 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.955 -2.936 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.201 -2.733 -5.529 1.00 0.00 H new ATOM 694 N GLU A 47 5.151 -8.337 -4.046 1.00 0.00 N ATOM 695 CA GLU A 47 5.972 -9.475 -4.442 1.00 0.00 C ATOM 696 C GLU A 47 5.160 -10.767 -4.418 1.00 0.00 C ATOM 697 O GLU A 47 5.270 -11.599 -5.318 1.00 0.00 O ATOM 698 CB GLU A 47 7.183 -9.604 -3.516 1.00 0.00 C ATOM 699 CG GLU A 47 8.120 -10.739 -3.894 1.00 0.00 C ATOM 700 CD GLU A 47 8.923 -11.251 -2.713 1.00 0.00 C ATOM 701 OE1 GLU A 47 9.938 -10.612 -2.364 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.536 -12.290 -2.139 1.00 0.00 O ATOM 0 H GLU A 47 5.415 -7.914 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 47 6.319 -9.303 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.739 -8.666 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.834 -9.757 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.539 -11.559 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.803 -10.398 -4.672 1.00 0.00 H new ATOM 709 N ASP A 48 4.345 -10.927 -3.381 1.00 0.00 N ATOM 710 CA ASP A 48 3.513 -12.117 -3.238 1.00 0.00 C ATOM 711 C ASP A 48 2.594 -12.284 -4.444 1.00 0.00 C ATOM 712 O ASP A 48 2.293 -13.404 -4.857 1.00 0.00 O ATOM 713 CB ASP A 48 2.683 -12.034 -1.957 1.00 0.00 C ATOM 714 CG ASP A 48 2.431 -13.397 -1.342 1.00 0.00 C ATOM 715 OD1 ASP A 48 1.920 -14.285 -2.056 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.745 -13.575 -0.147 1.00 0.00 O ATOM 0 H ASP A 48 4.243 -10.248 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 48 4.170 -12.985 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.198 -11.402 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.729 -11.555 -2.176 1.00 0.00 H new ATOM 721 N ALA A 49 2.151 -11.164 -5.004 1.00 0.00 N ATOM 722 CA ALA A 49 1.267 -11.187 -6.163 1.00 0.00 C ATOM 723 C ALA A 49 1.934 -11.877 -7.349 1.00 0.00 C ATOM 724 O ALA A 49 1.277 -12.565 -8.129 1.00 0.00 O ATOM 725 CB ALA A 49 0.852 -9.772 -6.539 1.00 0.00 C ATOM 0 H ALA A 49 2.390 -10.229 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 49 0.376 -11.757 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.192 -9.805 -7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.328 -9.312 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.738 -9.185 -6.779 1.00 0.00 H new ATOM 731 N GLY A 50 3.243 -11.687 -7.478 1.00 0.00 N ATOM 732 CA GLY A 50 3.977 -12.296 -8.572 1.00 0.00 C ATOM 733 C GLY A 50 3.539 -11.775 -9.926 1.00 0.00 C ATOM 734 O GLY A 50 3.922 -10.677 -10.329 1.00 0.00 O ATOM 0 H GLY A 50 3.809 -11.122 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.042 -12.106 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.839 -13.377 -8.540 1.00 0.00 H new ATOM 738 N ASN A 51 2.735 -12.564 -10.631 1.00 0.00 N ATOM 739 CA ASN A 51 2.246 -12.176 -11.949 1.00 0.00 C ATOM 740 C ASN A 51 0.842 -11.586 -11.856 1.00 0.00 C ATOM 741 O ASN A 51 0.462 -10.729 -12.655 1.00 0.00 O ATOM 742 CB ASN A 51 2.243 -13.382 -12.890 1.00 0.00 C ATOM 743 CG ASN A 51 1.955 -12.993 -14.327 1.00 0.00 C ATOM 744 OD1 ASN A 51 2.758 -12.319 -14.973 1.00 0.00 O ATOM 745 ND2 ASN A 51 0.803 -13.417 -14.835 1.00 0.00 N ATOM 0 H ASN A 51 2.408 -13.476 -10.312 1.00 0.00 H new ATOM 0 HA ASN A 51 2.916 -11.414 -12.348 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.210 -13.882 -12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.495 -14.100 -12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.554 -13.186 -15.797 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.167 -13.973 -14.263 1.00 0.00 H new ATOM 752 N LYS A 52 0.074 -12.050 -10.876 1.00 0.00 N ATOM 753 CA LYS A 52 -1.287 -11.569 -10.676 1.00 0.00 C ATOM 754 C LYS A 52 -1.295 -10.079 -10.348 1.00 0.00 C ATOM 755 O LYS A 52 -2.200 -9.349 -10.751 1.00 0.00 O ATOM 756 CB LYS A 52 -1.968 -12.353 -9.552 1.00 0.00 C ATOM 757 CG LYS A 52 -1.919 -13.859 -9.745 1.00 0.00 C ATOM 758 CD LYS A 52 -2.590 -14.591 -8.595 1.00 0.00 C ATOM 759 CE LYS A 52 -1.691 -14.645 -7.369 1.00 0.00 C ATOM 760 NZ LYS A 52 -2.072 -13.622 -6.356 1.00 0.00 N ATOM 0 H LYS A 52 0.372 -12.760 -10.207 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.839 -11.722 -11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.492 -12.101 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.009 -12.038 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.410 -14.123 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.881 -14.183 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.525 -14.092 -8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.844 -15.604 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.746 -15.637 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.655 -14.489 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.220 -13.292 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.530 -12.818 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.732 -14.041 -5.671 1.00 0.00 H new ATOM 774 N GLY A 53 -0.279 -9.634 -9.614 1.00 0.00 N ATOM 775 CA GLY A 53 -0.188 -8.233 -9.246 1.00 0.00 C ATOM 776 C GLY A 53 -1.194 -7.848 -8.179 1.00 0.00 C ATOM 777 O GLY A 53 -2.190 -8.543 -7.976 1.00 0.00 O ATOM 0 H GLY A 53 0.482 -10.218 -9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.819 -8.020 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.348 -7.617 -10.131 1.00 0.00 H new ATOM 781 N ILE A 54 -0.933 -6.739 -7.495 1.00 0.00 N ATOM 782 CA ILE A 54 -1.823 -6.263 -6.443 1.00 0.00 C ATOM 783 C ILE A 54 -2.280 -4.834 -6.715 1.00 0.00 C ATOM 784 O ILE A 54 -1.476 -3.972 -7.070 1.00 0.00 O ATOM 785 CB ILE A 54 -1.143 -6.319 -5.063 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.153 -5.999 -3.959 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.031 -5.352 -5.010 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.231 -7.061 -2.885 1.00 0.00 C ATOM 0 H ILE A 54 -0.113 -6.153 -7.650 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.689 -6.924 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.764 -7.328 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.887 -5.047 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.139 -5.872 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.501 -5.404 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.759 -5.621 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.325 -4.337 -5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.966 -6.768 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.527 -8.010 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.255 -7.172 -2.412 1.00 0.00 H new ATOM 800 N TRP A 55 -3.574 -4.591 -6.544 1.00 0.00 N ATOM 801 CA TRP A 55 -4.139 -3.265 -6.769 1.00 0.00 C ATOM 802 C TRP A 55 -3.769 -2.316 -5.634 1.00 0.00 C ATOM 803 O TRP A 55 -3.614 -2.736 -4.487 1.00 0.00 O ATOM 804 CB TRP A 55 -5.660 -3.351 -6.903 1.00 0.00 C ATOM 805 CG TRP A 55 -6.109 -4.310 -7.964 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.365 -5.642 -7.809 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.352 -4.010 -9.342 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.753 -6.189 -9.009 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.755 -5.208 -9.965 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.272 -2.846 -10.111 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.073 -5.273 -11.318 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.588 -2.912 -11.455 1.00 0.00 C ATOM 813 CH2 TRP A 55 -6.986 -4.118 -12.047 1.00 0.00 C ATOM 0 H TRP A 55 -4.252 -5.294 -6.250 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.722 -2.873 -7.697 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.085 -3.654 -5.946 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.054 -2.360 -7.128 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.276 -6.186 -6.880 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.999 -7.167 -9.163 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.969 -1.911 -9.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.378 -6.202 -11.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.527 -2.019 -12.059 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.229 -4.136 -13.099 1.00 0.00 H new ATOM 824 N SER A 56 -3.630 -1.035 -5.960 1.00 0.00 N ATOM 825 CA SER A 56 -3.275 -0.028 -4.967 1.00 0.00 C ATOM 826 C SER A 56 -4.239 -0.067 -3.785 1.00 0.00 C ATOM 827 O SER A 56 -3.856 0.212 -2.649 1.00 0.00 O ATOM 828 CB SER A 56 -3.281 1.366 -5.599 1.00 0.00 C ATOM 829 OG SER A 56 -3.731 2.342 -4.676 1.00 0.00 O ATOM 0 H SER A 56 -3.758 -0.670 -6.904 1.00 0.00 H new ATOM 0 HA SER A 56 -2.272 -0.250 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.277 1.619 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.926 1.368 -6.478 1.00 0.00 H new ATOM 0 HG SER A 56 -3.724 3.224 -5.103 1.00 0.00 H new ATOM 835 N ARG A 57 -5.491 -0.414 -4.062 1.00 0.00 N ATOM 836 CA ARG A 57 -6.511 -0.488 -3.023 1.00 0.00 C ATOM 837 C ARG A 57 -6.287 -1.703 -2.127 1.00 0.00 C ATOM 838 O ARG A 57 -6.636 -1.689 -0.947 1.00 0.00 O ATOM 839 CB ARG A 57 -7.905 -0.554 -3.651 1.00 0.00 C ATOM 840 CG ARG A 57 -9.028 -0.249 -2.673 1.00 0.00 C ATOM 841 CD ARG A 57 -10.371 -0.153 -3.380 1.00 0.00 C ATOM 842 NE ARG A 57 -11.449 -0.742 -2.590 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.699 -2.046 -2.545 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.952 -2.892 -3.242 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.698 -2.506 -1.803 1.00 0.00 N ATOM 0 H ARG A 57 -5.824 -0.648 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.437 0.411 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.955 0.152 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.059 -1.549 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.071 -1.028 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.819 0.689 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.600 0.893 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.310 -0.658 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.042 -0.118 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.184 -2.542 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.146 -3.893 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.275 -1.858 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.889 -3.507 -1.769 1.00 0.00 H new ATOM 859 N ASP A 58 -5.703 -2.751 -2.697 1.00 0.00 N ATOM 860 CA ASP A 58 -5.431 -3.974 -1.950 1.00 0.00 C ATOM 861 C ASP A 58 -4.182 -3.818 -1.087 1.00 0.00 C ATOM 862 O ASP A 58 -4.233 -3.983 0.132 1.00 0.00 O ATOM 863 CB ASP A 58 -5.261 -5.155 -2.907 1.00 0.00 C ATOM 864 CG ASP A 58 -6.539 -5.952 -3.076 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.621 -5.332 -3.137 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.457 -7.197 -3.146 1.00 0.00 O ATOM 0 H ASP A 58 -5.409 -2.779 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.281 -4.167 -1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.935 -4.787 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.474 -5.811 -2.534 1.00 0.00 H new ATOM 871 N VAL A 59 -3.062 -3.501 -1.729 1.00 0.00 N ATOM 872 CA VAL A 59 -1.800 -3.322 -1.021 1.00 0.00 C ATOM 873 C VAL A 59 -1.931 -2.277 0.081 1.00 0.00 C ATOM 874 O VAL A 59 -1.186 -2.296 1.061 1.00 0.00 O ATOM 875 CB VAL A 59 -0.672 -2.901 -1.982 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.060 -1.642 -2.742 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.627 -2.694 -1.219 1.00 0.00 C ATOM 0 H VAL A 59 -3.003 -3.363 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.548 -4.285 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.518 -3.701 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.251 -1.360 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.965 -1.830 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.243 -0.832 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.413 -2.397 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.489 -1.913 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.911 -3.623 -0.725 1.00 0.00 H new ATOM 887 N ARG A 60 -2.884 -1.365 -0.086 1.00 0.00 N ATOM 888 CA ARG A 60 -3.112 -0.311 0.894 1.00 0.00 C ATOM 889 C ARG A 60 -3.833 -0.857 2.123 1.00 0.00 C ATOM 890 O ARG A 60 -3.498 -0.512 3.257 1.00 0.00 O ATOM 891 CB ARG A 60 -3.929 0.824 0.273 1.00 0.00 C ATOM 892 CG ARG A 60 -4.166 1.991 1.217 1.00 0.00 C ATOM 893 CD ARG A 60 -5.304 2.876 0.734 1.00 0.00 C ATOM 894 NE ARG A 60 -4.987 3.535 -0.530 1.00 0.00 N ATOM 895 CZ ARG A 60 -5.845 4.297 -1.198 1.00 0.00 C ATOM 896 NH1 ARG A 60 -7.067 4.497 -0.724 1.00 0.00 N ATOM 897 NH2 ARG A 60 -5.482 4.863 -2.342 1.00 0.00 N ATOM 0 H ARG A 60 -3.510 -1.335 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.142 0.076 1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.414 1.186 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.892 0.431 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.395 1.613 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.254 2.583 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.205 2.274 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.523 3.629 1.491 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.055 3.403 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.350 4.065 0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.724 5.083 -1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.542 4.713 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.143 5.448 -2.854 1.00 0.00 H new ATOM 911 N TYR A 61 -4.824 -1.711 1.890 1.00 0.00 N ATOM 912 CA TYR A 61 -5.594 -2.303 2.978 1.00 0.00 C ATOM 913 C TYR A 61 -4.715 -3.203 3.841 1.00 0.00 C ATOM 914 O TYR A 61 -4.688 -3.076 5.065 1.00 0.00 O ATOM 915 CB TYR A 61 -6.771 -3.105 2.419 1.00 0.00 C ATOM 916 CG TYR A 61 -8.029 -2.993 3.251 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.770 -1.818 3.270 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.476 -4.062 4.017 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.919 -1.711 4.028 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.625 -3.964 4.778 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.343 -2.787 4.780 1.00 0.00 C ATOM 922 OH TYR A 61 -11.488 -2.684 5.536 1.00 0.00 O ATOM 0 H TYR A 61 -5.113 -2.009 0.958 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.976 -1.494 3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.984 -2.764 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.484 -4.154 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.442 -0.974 2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.916 -4.985 4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.483 -0.790 4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.959 -4.805 5.368 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.648 -3.530 6.005 1.00 0.00 H new ATOM 932 N LYS A 62 -3.995 -4.114 3.193 1.00 0.00 N ATOM 933 CA LYS A 62 -3.112 -5.035 3.898 1.00 0.00 C ATOM 934 C LYS A 62 -1.991 -4.281 4.605 1.00 0.00 C ATOM 935 O LYS A 62 -1.517 -4.700 5.661 1.00 0.00 O ATOM 936 CB LYS A 62 -2.520 -6.054 2.922 1.00 0.00 C ATOM 937 CG LYS A 62 -3.322 -7.340 2.825 1.00 0.00 C ATOM 938 CD LYS A 62 -2.491 -8.473 2.245 1.00 0.00 C ATOM 939 CE LYS A 62 -2.994 -8.887 0.871 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.168 -9.799 0.963 1.00 0.00 N ATOM 0 H LYS A 62 -4.006 -4.234 2.180 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.702 -5.561 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.454 -5.601 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.503 -6.293 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.682 -7.621 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.201 -7.176 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.449 -8.161 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.522 -9.330 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.268 -7.999 0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.191 -9.382 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.482 -10.059 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.900 -10.658 1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.943 -9.318 1.463 1.00 0.00 H new ATOM 954 N SER A 63 -1.572 -3.165 4.016 1.00 0.00 N ATOM 955 CA SER A 63 -0.504 -2.353 4.589 1.00 0.00 C ATOM 956 C SER A 63 -1.034 -1.480 5.722 1.00 0.00 C ATOM 957 O SER A 63 -0.280 -1.054 6.596 1.00 0.00 O ATOM 958 CB SER A 63 0.133 -1.476 3.509 1.00 0.00 C ATOM 959 OG SER A 63 0.905 -2.253 2.611 1.00 0.00 O ATOM 0 H SER A 63 -1.955 -2.803 3.143 1.00 0.00 H new ATOM 0 HA SER A 63 0.252 -3.025 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.646 -0.947 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.764 -0.720 3.976 1.00 0.00 H new ATOM 0 HG SER A 63 0.465 -2.274 1.735 1.00 0.00 H new ATOM 965 N ASN A 64 -2.337 -1.219 5.700 1.00 0.00 N ATOM 966 CA ASN A 64 -2.969 -0.396 6.725 1.00 0.00 C ATOM 967 C ASN A 64 -2.418 1.027 6.697 1.00 0.00 C ATOM 968 O ASN A 64 -2.414 1.723 7.713 1.00 0.00 O ATOM 969 CB ASN A 64 -2.750 -1.012 8.109 1.00 0.00 C ATOM 970 CG ASN A 64 -3.954 -0.838 9.015 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.772 -1.746 9.159 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.066 0.333 9.632 1.00 0.00 N ATOM 0 H ASN A 64 -2.976 -1.565 4.984 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.038 -0.357 6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.530 -2.074 8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.878 -0.552 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.854 0.508 10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.364 1.057 9.483 1.00 0.00 H new ATOM 979 N LEU A 65 -1.955 1.453 5.527 1.00 0.00 N ATOM 980 CA LEU A 65 -1.403 2.793 5.365 1.00 0.00 C ATOM 981 C LEU A 65 -2.323 3.662 4.513 1.00 0.00 C ATOM 982 O LEU A 65 -2.950 3.197 3.560 1.00 0.00 O ATOM 983 CB LEU A 65 -0.015 2.720 4.725 1.00 0.00 C ATOM 984 CG LEU A 65 0.940 1.680 5.311 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.198 1.573 4.463 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.292 2.029 6.749 1.00 0.00 C ATOM 0 H LEU A 65 -1.951 0.890 4.677 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.318 3.246 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.137 2.513 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.453 3.701 4.807 1.00 0.00 H new ATOM 0 HG LEU A 65 0.440 0.712 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.866 0.828 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.929 1.275 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.702 2.539 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.973 1.278 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.773 3.007 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.383 2.053 7.350 1.00 0.00 H new ATOM 998 N PRO A 66 -2.406 4.955 4.861 1.00 0.00 N ATOM 999 CA PRO A 66 -3.245 5.916 4.139 1.00 0.00 C ATOM 1000 C PRO A 66 -2.706 6.224 2.746 1.00 0.00 C ATOM 1001 O PRO A 66 -1.510 6.088 2.488 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.191 7.166 5.022 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.906 7.049 5.767 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.687 5.577 5.985 1.00 0.00 C ATOM 0 HA PRO A 66 -4.253 5.536 3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.219 8.076 4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.041 7.207 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.084 7.486 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.956 7.581 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.627 5.323 5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.084 5.250 6.946 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.596 6.641 1.852 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.210 6.970 0.484 1.00 0.00 C ATOM 1014 C LEU A 67 -2.043 7.952 0.469 1.00 0.00 C ATOM 1015 O LEU A 67 -1.160 7.872 -0.386 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.399 7.561 -0.274 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.173 8.666 0.446 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.214 9.928 -0.401 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.582 8.199 0.780 1.00 0.00 C ATOM 0 H LEU A 67 -4.590 6.759 2.050 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.894 6.051 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.038 7.957 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.092 6.753 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.658 8.896 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.769 10.703 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.197 10.273 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.705 9.713 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.118 8.998 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.107 7.941 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.531 7.323 1.427 1.00 0.00 H new ATOM 1031 N THR A 68 -2.043 8.878 1.423 1.00 0.00 N ATOM 1032 CA THR A 68 -0.985 9.876 1.520 1.00 0.00 C ATOM 1033 C THR A 68 0.385 9.215 1.625 1.00 0.00 C ATOM 1034 O THR A 68 1.387 9.769 1.173 1.00 0.00 O ATOM 1035 CB THR A 68 -1.192 10.798 2.736 1.00 0.00 C ATOM 1036 OG1 THR A 68 -2.472 11.435 2.655 1.00 0.00 O ATOM 1037 CG2 THR A 68 -0.099 11.854 2.807 1.00 0.00 C ATOM 0 H THR A 68 -2.764 8.957 2.140 1.00 0.00 H new ATOM 0 HA THR A 68 -1.029 10.473 0.609 1.00 0.00 H new ATOM 0 HB THR A 68 -1.146 10.188 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.597 12.018 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.266 12.493 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.872 11.367 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.118 12.459 1.901 1.00 0.00 H new ATOM 1045 N GLU A 69 0.421 8.029 2.224 1.00 0.00 N ATOM 1046 CA GLU A 69 1.669 7.294 2.388 1.00 0.00 C ATOM 1047 C GLU A 69 1.946 6.413 1.173 1.00 0.00 C ATOM 1048 O GLU A 69 2.978 6.550 0.516 1.00 0.00 O ATOM 1049 CB GLU A 69 1.619 6.435 3.653 1.00 0.00 C ATOM 1050 CG GLU A 69 1.881 7.216 4.930 1.00 0.00 C ATOM 1051 CD GLU A 69 3.359 7.441 5.183 1.00 0.00 C ATOM 1052 OE1 GLU A 69 4.173 6.617 4.717 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.701 8.441 5.848 1.00 0.00 O ATOM 0 H GLU A 69 -0.400 7.557 2.604 1.00 0.00 H new ATOM 0 HA GLU A 69 2.477 8.019 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.640 5.961 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.355 5.636 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.375 8.180 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.449 6.679 5.775 1.00 0.00 H new ATOM 1060 N ILE A 70 1.017 5.509 0.882 1.00 0.00 N ATOM 1061 CA ILE A 70 1.159 4.606 -0.254 1.00 0.00 C ATOM 1062 C ILE A 70 1.472 5.376 -1.532 1.00 0.00 C ATOM 1063 O ILE A 70 2.180 4.882 -2.409 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.115 3.769 -0.471 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.436 2.954 0.784 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.052 2.853 -1.675 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.617 1.922 1.121 1.00 0.00 C ATOM 0 H ILE A 70 0.158 5.382 1.417 1.00 0.00 H new ATOM 0 HA ILE A 70 1.988 3.937 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.948 4.445 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.551 3.633 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.394 2.452 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.857 2.268 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.239 3.453 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.894 2.181 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.323 1.383 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.716 1.220 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.572 2.419 1.291 1.00 0.00 H new ATOM 1079 N ASN A 71 0.940 6.590 -1.631 1.00 0.00 N ATOM 1080 CA ASN A 71 1.164 7.430 -2.802 1.00 0.00 C ATOM 1081 C ASN A 71 2.652 7.694 -3.006 1.00 0.00 C ATOM 1082 O ASN A 71 3.130 7.777 -4.137 1.00 0.00 O ATOM 1083 CB ASN A 71 0.414 8.756 -2.655 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.018 8.668 -3.144 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.394 7.717 -3.831 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.826 9.661 -2.793 1.00 0.00 N ATOM 0 H ASN A 71 0.351 7.014 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 71 0.785 6.901 -3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.419 9.059 -1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.939 9.531 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.801 9.656 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.472 10.429 -2.223 1.00 0.00 H new ATOM 1093 N LYS A 72 3.381 7.826 -1.902 1.00 0.00 N ATOM 1094 CA LYS A 72 4.816 8.079 -1.958 1.00 0.00 C ATOM 1095 C LYS A 72 5.594 6.773 -2.084 1.00 0.00 C ATOM 1096 O LYS A 72 6.596 6.703 -2.796 1.00 0.00 O ATOM 1097 CB LYS A 72 5.270 8.837 -0.709 1.00 0.00 C ATOM 1098 CG LYS A 72 6.778 8.961 -0.587 1.00 0.00 C ATOM 1099 CD LYS A 72 7.175 9.756 0.646 1.00 0.00 C ATOM 1100 CE LYS A 72 7.606 8.842 1.783 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.809 9.594 3.053 1.00 0.00 N ATOM 0 H LYS A 72 3.001 7.762 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 72 5.018 8.688 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.832 9.835 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.883 8.329 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.223 7.967 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.177 9.446 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.989 10.436 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.335 10.371 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.851 8.070 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.531 8.334 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.102 8.936 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.547 10.314 2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.920 10.058 3.328 1.00 0.00 H new ATOM 1115 N ILE A 73 5.126 5.741 -1.390 1.00 0.00 N ATOM 1116 CA ILE A 73 5.777 4.438 -1.427 1.00 0.00 C ATOM 1117 C ILE A 73 5.716 3.833 -2.825 1.00 0.00 C ATOM 1118 O ILE A 73 6.747 3.526 -3.426 1.00 0.00 O ATOM 1119 CB ILE A 73 5.133 3.458 -0.428 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.175 4.038 0.987 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.840 2.112 -0.475 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.484 3.171 2.017 1.00 0.00 C ATOM 0 H ILE A 73 4.298 5.782 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 73 6.818 4.598 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 73 4.091 3.309 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.215 4.180 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.708 5.023 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.373 1.431 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.764 1.696 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.890 2.244 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.553 3.644 2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.435 3.050 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.965 2.194 2.052 1.00 0.00 H new ATOM 1134 N LEU A 74 4.503 3.664 -3.339 1.00 0.00 N ATOM 1135 CA LEU A 74 4.307 3.097 -4.669 1.00 0.00 C ATOM 1136 C LEU A 74 5.147 3.837 -5.705 1.00 0.00 C ATOM 1137 O LEU A 74 5.630 3.241 -6.669 1.00 0.00 O ATOM 1138 CB LEU A 74 2.829 3.157 -5.058 1.00 0.00 C ATOM 1139 CG LEU A 74 1.932 2.076 -4.454 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.488 2.276 -4.888 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.423 0.692 -4.852 1.00 0.00 C ATOM 0 H LEU A 74 3.640 3.911 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 74 4.628 2.056 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.436 4.131 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.757 3.096 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 74 1.978 2.158 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.135 1.497 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.139 3.253 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.424 2.222 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.773 -0.065 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.407 0.599 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.441 0.549 -4.490 1.00 0.00 H new ATOM 1153 N LYS A 75 5.320 5.138 -5.500 1.00 0.00 N ATOM 1154 CA LYS A 75 6.105 5.960 -6.414 1.00 0.00 C ATOM 1155 C LYS A 75 7.598 5.799 -6.144 1.00 0.00 C ATOM 1156 O LYS A 75 8.418 5.913 -7.054 1.00 0.00 O ATOM 1157 CB LYS A 75 5.707 7.431 -6.279 1.00 0.00 C ATOM 1158 CG LYS A 75 6.596 8.376 -7.069 1.00 0.00 C ATOM 1159 CD LYS A 75 7.717 8.937 -6.210 1.00 0.00 C ATOM 1160 CE LYS A 75 8.297 10.208 -6.811 1.00 0.00 C ATOM 1161 NZ LYS A 75 9.443 9.920 -7.717 1.00 0.00 N ATOM 0 H LYS A 75 4.927 5.647 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 75 5.900 5.626 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.676 7.552 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.737 7.712 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.020 7.849 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.996 9.195 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.340 9.146 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.504 8.191 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.520 10.735 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.625 10.872 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.810 10.812 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.195 9.439 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.125 9.308 -8.495 1.00 0.00 H new ATOM 1175 N ASN A 76 7.942 5.532 -4.889 1.00 0.00 N ATOM 1176 CA ASN A 76 9.337 5.354 -4.500 1.00 0.00 C ATOM 1177 C ASN A 76 9.952 4.155 -5.215 1.00 0.00 C ATOM 1178 O ASN A 76 10.924 4.293 -5.959 1.00 0.00 O ATOM 1179 CB ASN A 76 9.446 5.170 -2.985 1.00 0.00 C ATOM 1180 CG ASN A 76 10.514 6.055 -2.371 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.709 5.826 -2.559 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.086 7.072 -1.632 1.00 0.00 N ATOM 0 H ASN A 76 7.275 5.434 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 76 9.887 6.249 -4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.484 5.393 -2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.671 4.127 -2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.758 7.702 -1.193 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.086 7.224 -1.504 1.00 0.00 H new ATOM 1189 N LEU A 77 9.380 2.978 -4.984 1.00 0.00 N ATOM 1190 CA LEU A 77 9.871 1.754 -5.607 1.00 0.00 C ATOM 1191 C LEU A 77 9.992 1.921 -7.118 1.00 0.00 C ATOM 1192 O LEU A 77 10.920 1.402 -7.737 1.00 0.00 O ATOM 1193 CB LEU A 77 8.939 0.585 -5.284 1.00 0.00 C ATOM 1194 CG LEU A 77 9.169 -0.106 -3.940 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.968 -0.961 -3.566 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.434 -0.950 -3.984 1.00 0.00 C ATOM 0 H LEU A 77 8.576 2.846 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 77 10.862 1.543 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.911 0.947 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.036 -0.160 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 77 9.294 0.661 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.150 -1.445 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.082 -0.331 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.810 -1.721 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.582 -1.434 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.338 -1.709 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.290 -0.312 -4.205 1.00 0.00 H new ATOM 1208 N GLU A 78 9.048 2.651 -7.704 1.00 0.00 N ATOM 1209 CA GLU A 78 9.050 2.888 -9.143 1.00 0.00 C ATOM 1210 C GLU A 78 10.354 3.545 -9.585 1.00 0.00 C ATOM 1211 O GLU A 78 11.063 3.026 -10.447 1.00 0.00 O ATOM 1212 CB GLU A 78 7.863 3.768 -9.539 1.00 0.00 C ATOM 1213 CG GLU A 78 7.500 3.674 -11.012 1.00 0.00 C ATOM 1214 CD GLU A 78 7.950 4.888 -11.802 1.00 0.00 C ATOM 1215 OE1 GLU A 78 7.351 5.969 -11.621 1.00 0.00 O ATOM 1216 OE2 GLU A 78 8.901 4.756 -12.601 1.00 0.00 O ATOM 0 H GLU A 78 8.273 3.088 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 78 8.961 1.924 -9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.997 3.485 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.093 4.805 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.954 2.779 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.420 3.561 -11.110 1.00 0.00 H new ATOM 1223 N SER A 79 10.664 4.691 -8.987 1.00 0.00 N ATOM 1224 CA SER A 79 11.880 5.423 -9.321 1.00 0.00 C ATOM 1225 C SER A 79 13.113 4.546 -9.125 1.00 0.00 C ATOM 1226 O SER A 79 14.077 4.628 -9.887 1.00 0.00 O ATOM 1227 CB SER A 79 11.995 6.683 -8.462 1.00 0.00 C ATOM 1228 OG SER A 79 12.034 7.848 -9.267 1.00 0.00 O ATOM 0 H SER A 79 10.090 5.132 -8.269 1.00 0.00 H new ATOM 0 HA SER A 79 11.824 5.712 -10.371 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.149 6.739 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.896 6.629 -7.851 1.00 0.00 H new ATOM 0 HG SER A 79 12.106 8.640 -8.694 1.00 0.00 H new ATOM 1234 N LYS A 80 13.075 3.705 -8.097 1.00 0.00 N ATOM 1235 CA LYS A 80 14.187 2.810 -7.798 1.00 0.00 C ATOM 1236 C LYS A 80 14.335 1.746 -8.881 1.00 0.00 C ATOM 1237 O LYS A 80 15.345 1.045 -8.944 1.00 0.00 O ATOM 1238 CB LYS A 80 13.980 2.142 -6.437 1.00 0.00 C ATOM 1239 CG LYS A 80 13.573 3.111 -5.340 1.00 0.00 C ATOM 1240 CD LYS A 80 14.443 2.951 -4.105 1.00 0.00 C ATOM 1241 CE LYS A 80 13.950 3.822 -2.959 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.494 5.206 -3.041 1.00 0.00 N ATOM 0 H LYS A 80 12.285 3.624 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 80 15.101 3.404 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.215 1.372 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.902 1.641 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.649 4.134 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.529 2.944 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.446 1.906 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.472 3.215 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.861 3.858 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.242 3.373 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.233 5.733 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.530 5.168 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.099 5.685 -3.875 1.00 0.00 H new ATOM 1256 N LYS A 81 13.322 1.631 -9.733 1.00 0.00 N ATOM 1257 CA LYS A 81 13.339 0.654 -10.816 1.00 0.00 C ATOM 1258 C LYS A 81 13.370 -0.768 -10.265 1.00 0.00 C ATOM 1259 O LYS A 81 13.981 -1.660 -10.856 1.00 0.00 O ATOM 1260 CB LYS A 81 14.551 0.888 -11.722 1.00 0.00 C ATOM 1261 CG LYS A 81 14.301 0.527 -13.176 1.00 0.00 C ATOM 1262 CD LYS A 81 15.088 1.424 -14.116 1.00 0.00 C ATOM 1263 CE LYS A 81 14.219 2.538 -14.680 1.00 0.00 C ATOM 1264 NZ LYS A 81 14.481 2.766 -16.128 1.00 0.00 N ATOM 0 H LYS A 81 12.478 2.203 -9.695 1.00 0.00 H new ATOM 0 HA LYS A 81 12.427 0.779 -11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.842 1.937 -11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.391 0.302 -11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.579 -0.513 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.237 0.613 -13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.936 1.856 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.495 0.829 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.168 2.287 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.405 3.459 -14.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.870 3.532 -16.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.478 3.030 -16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.279 1.895 -16.659 1.00 0.00 H new ATOM 1278 N LEU A 82 12.707 -0.973 -9.132 1.00 0.00 N ATOM 1279 CA LEU A 82 12.657 -2.288 -8.503 1.00 0.00 C ATOM 1280 C LEU A 82 11.349 -3.000 -8.832 1.00 0.00 C ATOM 1281 O LEU A 82 11.282 -4.230 -8.828 1.00 0.00 O ATOM 1282 CB LEU A 82 12.810 -2.156 -6.987 1.00 0.00 C ATOM 1283 CG LEU A 82 14.225 -1.877 -6.477 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.231 -1.750 -4.962 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.180 -2.973 -6.927 1.00 0.00 C ATOM 0 H LEU A 82 12.197 -0.246 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 82 13.482 -2.882 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.157 -1.353 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.453 -3.076 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 82 14.564 -0.932 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.246 -1.552 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.579 -0.929 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.872 -2.678 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.182 -2.758 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.845 -3.932 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.199 -3.015 -8.016 1.00 0.00 H new ATOM 1297 N ILE A 83 10.313 -2.220 -9.120 1.00 0.00 N ATOM 1298 CA ILE A 83 9.008 -2.776 -9.455 1.00 0.00 C ATOM 1299 C ILE A 83 8.546 -2.306 -10.831 1.00 0.00 C ATOM 1300 O ILE A 83 9.203 -1.485 -11.471 1.00 0.00 O ATOM 1301 CB ILE A 83 7.945 -2.390 -8.410 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.801 -0.868 -8.336 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.311 -2.959 -7.047 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.728 -0.409 -7.374 1.00 0.00 C ATOM 0 H ILE A 83 10.352 -1.201 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 83 9.121 -3.860 -9.463 1.00 0.00 H new ATOM 0 HB ILE A 83 6.987 -2.813 -8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.755 -0.435 -8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.575 -0.484 -9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.550 -2.678 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.369 -4.046 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.277 -2.562 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.682 0.680 -7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.764 -0.813 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.963 -0.763 -6.370 1.00 0.00 H new ATOM 1316 N LYS A 84 7.411 -2.830 -11.279 1.00 0.00 N ATOM 1317 CA LYS A 84 6.858 -2.462 -12.577 1.00 0.00 C ATOM 1318 C LYS A 84 5.350 -2.251 -12.486 1.00 0.00 C ATOM 1319 O LYS A 84 4.607 -3.161 -12.120 1.00 0.00 O ATOM 1320 CB LYS A 84 7.170 -3.545 -13.612 1.00 0.00 C ATOM 1321 CG LYS A 84 6.626 -4.914 -13.244 1.00 0.00 C ATOM 1322 CD LYS A 84 7.383 -6.025 -13.952 1.00 0.00 C ATOM 1323 CE LYS A 84 6.528 -6.692 -15.018 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.446 -5.870 -16.258 1.00 0.00 N ATOM 0 H LYS A 84 6.855 -3.512 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 84 7.320 -1.525 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.756 -3.246 -14.575 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.250 -3.615 -13.738 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.695 -5.056 -12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.569 -4.969 -13.506 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.285 -5.618 -14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.704 -6.769 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.944 -7.670 -15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.525 -6.860 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.855 -6.359 -16.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.025 -4.946 -16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.401 -5.731 -16.646 1.00 0.00 H new ATOM 1338 N ALA A 85 4.904 -1.045 -12.822 1.00 0.00 N ATOM 1339 CA ALA A 85 3.485 -0.716 -12.782 1.00 0.00 C ATOM 1340 C ALA A 85 2.757 -1.275 -13.999 1.00 0.00 C ATOM 1341 O ALA A 85 3.288 -1.269 -15.110 1.00 0.00 O ATOM 1342 CB ALA A 85 3.295 0.791 -12.696 1.00 0.00 C ATOM 0 H ALA A 85 5.506 -0.279 -13.125 1.00 0.00 H new ATOM 0 HA ALA A 85 3.056 -1.176 -11.892 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.230 1.022 -12.667 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.773 1.167 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.746 1.265 -13.568 1.00 0.00 H new ATOM 1348 N VAL A 86 1.537 -1.758 -13.784 1.00 0.00 N ATOM 1349 CA VAL A 86 0.736 -2.320 -14.864 1.00 0.00 C ATOM 1350 C VAL A 86 -0.669 -1.729 -14.871 1.00 0.00 C ATOM 1351 O VAL A 86 -1.437 -1.913 -13.926 1.00 0.00 O ATOM 1352 CB VAL A 86 0.636 -3.853 -14.749 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.940 -4.507 -15.180 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.271 -4.258 -13.329 1.00 0.00 C ATOM 0 H VAL A 86 1.082 -1.771 -12.871 1.00 0.00 H new ATOM 0 HA VAL A 86 1.239 -2.065 -15.797 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.154 -4.199 -15.416 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.850 -5.590 -15.092 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.154 -4.244 -16.216 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.751 -4.157 -14.541 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.205 -5.344 -13.266 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.037 -3.901 -12.641 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.690 -3.820 -13.061 1.00 0.00 H new ATOM 1364 N LYS A 87 -1.001 -1.019 -15.944 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.315 -0.402 -16.077 1.00 0.00 C ATOM 1366 C LYS A 87 -3.338 -1.405 -16.600 1.00 0.00 C ATOM 1367 O LYS A 87 -2.976 -2.430 -17.177 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.242 0.805 -17.015 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.468 1.978 -16.440 1.00 0.00 C ATOM 1370 CD LYS A 87 -0.468 2.531 -17.441 1.00 0.00 C ATOM 1371 CE LYS A 87 0.532 3.463 -16.773 1.00 0.00 C ATOM 1372 NZ LYS A 87 0.436 4.851 -17.303 1.00 0.00 N ATOM 0 H LYS A 87 -0.377 -0.857 -16.735 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.633 -0.068 -15.089 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.777 0.498 -17.952 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.255 1.131 -17.253 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.163 2.765 -16.146 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.944 1.662 -15.538 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.063 1.708 -17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.998 3.068 -18.228 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.357 3.472 -15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.542 3.084 -16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.133 5.455 -16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.628 4.846 -18.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.520 5.223 -17.132 1.00 0.00 H new ATOM 1386 N SER A 88 -4.616 -1.102 -16.395 1.00 0.00 N ATOM 1387 CA SER A 88 -5.691 -1.979 -16.845 1.00 0.00 C ATOM 1388 C SER A 88 -5.932 -1.819 -18.343 1.00 0.00 C ATOM 1389 O SER A 88 -5.847 -0.716 -18.882 1.00 0.00 O ATOM 1390 CB SER A 88 -6.978 -1.680 -16.074 1.00 0.00 C ATOM 1391 OG SER A 88 -7.905 -2.744 -16.196 1.00 0.00 O ATOM 0 H SER A 88 -4.932 -0.256 -15.920 1.00 0.00 H new ATOM 0 HA SER A 88 -5.391 -3.009 -16.652 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.745 -1.515 -15.022 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.425 -0.759 -16.449 1.00 0.00 H new ATOM 0 HG SER A 88 -8.718 -2.529 -15.693 1.00 0.00 H new ATOM 1397 N VAL A 89 -6.233 -2.929 -19.009 1.00 0.00 N ATOM 1398 CA VAL A 89 -6.488 -2.914 -20.445 1.00 0.00 C ATOM 1399 C VAL A 89 -7.981 -3.009 -20.739 1.00 0.00 C ATOM 1400 O VAL A 89 -8.798 -3.122 -19.825 1.00 0.00 O ATOM 1401 CB VAL A 89 -5.761 -4.070 -21.156 1.00 0.00 C ATOM 1402 CG1 VAL A 89 -4.255 -3.864 -21.108 1.00 0.00 C ATOM 1403 CG2 VAL A 89 -6.146 -5.404 -20.534 1.00 0.00 C ATOM 0 H VAL A 89 -6.306 -3.850 -18.577 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.106 -1.966 -20.825 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.068 -4.081 -22.202 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.758 -4.691 -21.615 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.000 -2.928 -21.604 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.926 -3.825 -20.070 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.623 -6.210 -21.049 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.869 -5.407 -19.480 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.222 -5.552 -20.627 1.00 0.00 H new ATOM 1413 N SER A 90 -8.330 -2.963 -22.020 1.00 0.00 N ATOM 1414 CA SER A 90 -9.726 -3.041 -22.435 1.00 0.00 C ATOM 1415 C SER A 90 -10.521 -1.857 -21.894 1.00 0.00 C ATOM 1416 O SER A 90 -10.029 -1.091 -21.066 1.00 0.00 O ATOM 1417 CB SER A 90 -10.351 -4.352 -21.954 1.00 0.00 C ATOM 1418 OG SER A 90 -11.522 -4.659 -22.691 1.00 0.00 O ATOM 0 H SER A 90 -7.666 -2.872 -22.789 1.00 0.00 H new ATOM 0 HA SER A 90 -9.757 -3.010 -23.524 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.629 -5.162 -22.058 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.594 -4.275 -20.894 1.00 0.00 H new ATOM 0 HG SER A 90 -11.902 -5.502 -22.366 1.00 0.00 H new ATOM 1424 N GLY A 91 -11.754 -1.713 -22.369 1.00 0.00 N ATOM 1425 CA GLY A 91 -12.599 -0.620 -21.923 1.00 0.00 C ATOM 1426 C GLY A 91 -12.538 0.576 -22.852 1.00 0.00 C ATOM 1427 O GLY A 91 -12.002 0.504 -23.958 1.00 0.00 O ATOM 0 H GLY A 91 -12.183 -2.334 -23.055 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.630 -0.968 -21.851 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.295 -0.315 -20.922 1.00 0.00 H new ATOM 1431 N PRO A 92 -13.100 1.708 -22.402 1.00 0.00 N ATOM 1432 CA PRO A 92 -13.122 2.947 -23.186 1.00 0.00 C ATOM 1433 C PRO A 92 -11.738 3.572 -23.321 1.00 0.00 C ATOM 1434 O PRO A 92 -10.835 3.280 -22.537 1.00 0.00 O ATOM 1435 CB PRO A 92 -14.046 3.862 -22.379 1.00 0.00 C ATOM 1436 CG PRO A 92 -13.956 3.353 -20.981 1.00 0.00 C ATOM 1437 CD PRO A 92 -13.757 1.867 -21.094 1.00 0.00 C ATOM 0 HA PRO A 92 -13.457 2.776 -24.209 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.727 4.902 -22.443 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.070 3.819 -22.751 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.126 3.819 -20.449 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.863 3.584 -20.422 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.137 1.482 -20.284 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.705 1.331 -21.053 1.00 0.00 H new ATOM 1445 N SER A 93 -11.578 4.434 -24.321 1.00 0.00 N ATOM 1446 CA SER A 93 -10.302 5.098 -24.560 1.00 0.00 C ATOM 1447 C SER A 93 -10.439 6.610 -24.407 1.00 0.00 C ATOM 1448 O SER A 93 -11.516 7.118 -24.093 1.00 0.00 O ATOM 1449 CB SER A 93 -9.782 4.761 -25.959 1.00 0.00 C ATOM 1450 OG SER A 93 -9.754 3.359 -26.168 1.00 0.00 O ATOM 0 H SER A 93 -12.316 4.688 -24.978 1.00 0.00 H new ATOM 0 HA SER A 93 -9.589 4.738 -23.818 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.417 5.231 -26.710 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.780 5.171 -26.087 1.00 0.00 H new ATOM 0 HG SER A 93 -9.420 3.169 -27.069 1.00 0.00 H new ATOM 1456 N SER A 94 -9.340 7.323 -24.631 1.00 0.00 N ATOM 1457 CA SER A 94 -9.336 8.777 -24.514 1.00 0.00 C ATOM 1458 C SER A 94 -9.425 9.432 -25.889 1.00 0.00 C ATOM 1459 O SER A 94 -8.919 10.534 -26.098 1.00 0.00 O ATOM 1460 CB SER A 94 -8.071 9.248 -23.794 1.00 0.00 C ATOM 1461 OG SER A 94 -8.102 8.890 -22.423 1.00 0.00 O ATOM 0 H SER A 94 -8.442 6.918 -24.894 1.00 0.00 H new ATOM 0 HA SER A 94 -10.209 9.073 -23.932 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.194 8.808 -24.268 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.976 10.330 -23.889 1.00 0.00 H new ATOM 0 HG SER A 94 -7.282 9.200 -21.985 1.00 0.00 H new ATOM 1467 N GLY A 95 -10.073 8.744 -26.825 1.00 0.00 N ATOM 1468 CA GLY A 95 -10.218 9.274 -28.168 1.00 0.00 C ATOM 1469 C GLY A 95 -8.946 9.145 -28.982 1.00 0.00 C ATOM 1470 O GLY A 95 -7.844 9.173 -28.434 1.00 0.00 O ATOM 0 H GLY A 95 -10.500 7.830 -26.677 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.026 8.749 -28.677 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.505 10.324 -28.112 1.00 0.00 H new TER 1474 GLY A 95