USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ -117:sc= 0.00477 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= -0.092 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.691 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 85:sc= 0.251 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 155:sc= 0.323 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -163:sc= 0 (180deg=-0.033) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -175:sc= 0.432 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -35.718 -14.854 -10.052 1.00 0.00 N ATOM 2 CA THR A 1 -35.676 -14.601 -11.514 1.00 0.00 C ATOM 3 C THR A 1 -34.610 -13.496 -11.864 1.00 0.00 C ATOM 4 O THR A 1 -34.483 -12.547 -11.079 1.00 0.00 O ATOM 5 CB THR A 1 -37.110 -14.315 -12.055 1.00 0.00 C ATOM 6 OG1 THR A 1 -37.143 -14.517 -13.462 1.00 0.00 O ATOM 7 CG2 THR A 1 -37.667 -12.910 -11.778 1.00 0.00 C ATOM 0 H1 THR A 1 -35.435 -15.836 -9.861 1.00 0.00 H new ATOM 0 H2 THR A 1 -35.065 -14.205 -9.568 1.00 0.00 H new ATOM 0 H3 THR A 1 -36.684 -14.698 -9.700 1.00 0.00 H new ATOM 0 HA THR A 1 -35.336 -15.496 -12.035 1.00 0.00 H new ATOM 0 HB THR A 1 -37.743 -15.013 -11.507 1.00 0.00 H new ATOM 0 HG1 THR A 1 -38.046 -14.338 -13.797 1.00 0.00 H new ATOM 0 HG21 THR A 1 -38.669 -12.826 -12.200 1.00 0.00 H new ATOM 0 HG22 THR A 1 -37.711 -12.742 -10.702 1.00 0.00 H new ATOM 0 HG23 THR A 1 -37.017 -12.164 -12.236 1.00 0.00 H new ATOM 17 N PRO A 2 -33.874 -13.510 -13.019 1.00 0.00 N ATOM 18 CA PRO A 2 -32.900 -12.442 -13.373 1.00 0.00 C ATOM 19 C PRO A 2 -33.621 -11.171 -13.919 1.00 0.00 C ATOM 20 O PRO A 2 -34.136 -11.162 -15.044 1.00 0.00 O ATOM 21 CB PRO A 2 -32.007 -13.153 -14.426 1.00 0.00 C ATOM 22 CG PRO A 2 -32.924 -14.178 -15.097 1.00 0.00 C ATOM 23 CD PRO A 2 -33.863 -14.633 -13.978 1.00 0.00 C ATOM 0 HA PRO A 2 -32.323 -12.058 -12.532 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -31.611 -12.443 -15.152 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -31.152 -13.637 -13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -33.477 -13.735 -15.925 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -32.356 -15.014 -15.504 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -34.863 -14.838 -14.359 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -33.506 -15.550 -13.510 1.00 0.00 H new ATOM 31 N ASP A 3 -33.667 -10.113 -13.090 1.00 0.00 N ATOM 32 CA ASP A 3 -34.417 -8.866 -13.403 1.00 0.00 C ATOM 33 C ASP A 3 -33.445 -7.837 -14.034 1.00 0.00 C ATOM 34 O ASP A 3 -32.468 -7.409 -13.410 1.00 0.00 O ATOM 35 CB ASP A 3 -35.104 -8.293 -12.133 1.00 0.00 C ATOM 36 CG ASP A 3 -36.250 -9.153 -11.575 1.00 0.00 C ATOM 37 OD1 ASP A 3 -37.375 -9.090 -12.117 1.00 0.00 O ATOM 38 OD2 ASP A 3 -36.024 -9.900 -10.597 1.00 0.00 O ATOM 0 H ASP A 3 -33.191 -10.090 -12.188 1.00 0.00 H new ATOM 0 HA ASP A 3 -35.209 -9.090 -14.117 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -34.351 -8.168 -11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -35.492 -7.301 -12.364 1.00 0.00 H new ATOM 43 N VAL A 4 -33.732 -7.488 -15.298 1.00 0.00 N ATOM 44 CA VAL A 4 -32.816 -6.690 -16.160 1.00 0.00 C ATOM 45 C VAL A 4 -33.491 -5.312 -16.460 1.00 0.00 C ATOM 46 O VAL A 4 -32.966 -4.294 -16.001 1.00 0.00 O ATOM 47 CB VAL A 4 -32.307 -7.549 -17.379 1.00 0.00 C ATOM 48 CG1 VAL A 4 -31.473 -6.734 -18.387 1.00 0.00 C ATOM 49 CG2 VAL A 4 -31.453 -8.769 -16.945 1.00 0.00 C ATOM 0 H VAL A 4 -34.604 -7.746 -15.761 1.00 0.00 H new ATOM 0 HA VAL A 4 -31.882 -6.432 -15.661 1.00 0.00 H new ATOM 0 HB VAL A 4 -33.225 -7.892 -17.856 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -31.152 -7.382 -19.202 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -32.079 -5.921 -18.787 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -30.597 -6.322 -17.886 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -31.132 -9.321 -17.828 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -30.578 -8.423 -16.395 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -32.048 -9.421 -16.306 1.00 0.00 H new ATOM 59 N SER A 5 -34.611 -5.256 -17.227 1.00 0.00 N ATOM 60 CA SER A 5 -35.271 -3.986 -17.668 1.00 0.00 C ATOM 61 C SER A 5 -34.326 -2.949 -18.366 1.00 0.00 C ATOM 62 O SER A 5 -34.169 -1.814 -17.905 1.00 0.00 O ATOM 63 CB SER A 5 -36.137 -3.409 -16.519 1.00 0.00 C ATOM 64 OG SER A 5 -36.981 -2.366 -16.991 1.00 0.00 O ATOM 0 H SER A 5 -35.089 -6.093 -17.562 1.00 0.00 H new ATOM 0 HA SER A 5 -35.943 -4.244 -18.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 -36.743 -4.203 -16.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.491 -3.029 -15.728 1.00 0.00 H new ATOM 0 HG SER A 5 -37.519 -2.019 -16.249 1.00 0.00 H new ATOM 70 N SER A 6 -33.671 -3.382 -19.465 1.00 0.00 N ATOM 71 CA SER A 6 -32.576 -2.630 -20.149 1.00 0.00 C ATOM 72 C SER A 6 -31.394 -2.180 -19.222 1.00 0.00 C ATOM 73 O SER A 6 -31.110 -0.984 -19.091 1.00 0.00 O ATOM 74 CB SER A 6 -33.125 -1.501 -21.060 1.00 0.00 C ATOM 75 OG SER A 6 -34.012 -2.014 -22.048 1.00 0.00 O ATOM 0 H SER A 6 -33.884 -4.273 -19.914 1.00 0.00 H new ATOM 0 HA SER A 6 -32.102 -3.359 -20.807 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.645 -0.761 -20.451 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.295 -0.988 -21.546 1.00 0.00 H new ATOM 0 HG SER A 6 -34.342 -1.278 -22.605 1.00 0.00 H new ATOM 81 N ALA A 7 -30.714 -3.158 -18.592 1.00 0.00 N ATOM 82 CA ALA A 7 -29.481 -2.931 -17.789 1.00 0.00 C ATOM 83 C ALA A 7 -28.240 -3.503 -18.528 1.00 0.00 C ATOM 84 O ALA A 7 -27.331 -2.735 -18.853 1.00 0.00 O ATOM 85 CB ALA A 7 -29.663 -3.499 -16.367 1.00 0.00 C ATOM 0 H ALA A 7 -31.001 -4.136 -18.622 1.00 0.00 H new ATOM 0 HA ALA A 7 -29.304 -1.861 -17.677 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -28.756 -3.328 -15.788 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -30.503 -3.002 -15.881 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -29.860 -4.570 -16.425 1.00 0.00 H new ATOM 91 N LEU A 8 -28.213 -4.817 -18.837 1.00 0.00 N ATOM 92 CA LEU A 8 -27.237 -5.435 -19.764 1.00 0.00 C ATOM 93 C LEU A 8 -27.310 -4.976 -21.257 1.00 0.00 C ATOM 94 O LEU A 8 -26.268 -4.955 -21.919 1.00 0.00 O ATOM 95 CB LEU A 8 -27.449 -6.970 -19.641 1.00 0.00 C ATOM 96 CG LEU A 8 -27.029 -7.664 -18.309 1.00 0.00 C ATOM 97 CD1 LEU A 8 -27.517 -9.127 -18.284 1.00 0.00 C ATOM 98 CD2 LEU A 8 -25.509 -7.611 -18.051 1.00 0.00 C ATOM 0 H LEU A 8 -28.875 -5.487 -18.446 1.00 0.00 H new ATOM 0 HA LEU A 8 -26.240 -5.107 -19.468 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -28.507 -7.175 -19.805 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -26.902 -7.449 -20.453 1.00 0.00 H new ATOM 0 HG LEU A 8 -27.507 -7.103 -17.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -27.215 -9.595 -17.347 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -28.604 -9.150 -18.367 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -27.078 -9.671 -19.120 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -25.282 -8.111 -17.109 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -24.984 -8.113 -18.864 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -25.185 -6.572 -17.997 1.00 0.00 H new ATOM 110 N ASP A 9 -28.499 -4.598 -21.776 1.00 0.00 N ATOM 111 CA ASP A 9 -28.661 -3.991 -23.129 1.00 0.00 C ATOM 112 C ASP A 9 -27.904 -2.637 -23.333 1.00 0.00 C ATOM 113 O ASP A 9 -27.212 -2.490 -24.344 1.00 0.00 O ATOM 114 CB ASP A 9 -30.179 -3.871 -23.438 1.00 0.00 C ATOM 115 CG ASP A 9 -30.517 -3.603 -24.912 1.00 0.00 C ATOM 116 OD1 ASP A 9 -30.546 -4.566 -25.710 1.00 0.00 O ATOM 117 OD2 ASP A 9 -30.747 -2.428 -25.276 1.00 0.00 O ATOM 0 H ASP A 9 -29.380 -4.703 -21.272 1.00 0.00 H new ATOM 0 HA ASP A 9 -28.183 -4.657 -23.847 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -30.672 -4.792 -23.128 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -30.596 -3.067 -22.832 1.00 0.00 H new ATOM 122 N LYS A 10 -28.018 -1.678 -22.390 1.00 0.00 N ATOM 123 CA LYS A 10 -27.181 -0.445 -22.378 1.00 0.00 C ATOM 124 C LYS A 10 -25.673 -0.668 -22.029 1.00 0.00 C ATOM 125 O LYS A 10 -24.813 -0.115 -22.716 1.00 0.00 O ATOM 126 CB LYS A 10 -27.850 0.676 -21.534 1.00 0.00 C ATOM 127 CG LYS A 10 -28.023 0.426 -20.013 1.00 0.00 C ATOM 128 CD LYS A 10 -28.778 1.533 -19.251 1.00 0.00 C ATOM 129 CE LYS A 10 -27.994 2.853 -19.105 1.00 0.00 C ATOM 130 NZ LYS A 10 -28.749 3.843 -18.318 1.00 0.00 N ATOM 0 H LYS A 10 -28.684 -1.729 -21.619 1.00 0.00 H new ATOM 0 HA LYS A 10 -27.143 -0.105 -23.413 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -27.264 1.586 -21.660 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -28.836 0.871 -21.956 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -28.553 -0.516 -19.873 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -27.036 0.306 -19.566 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -29.717 1.737 -19.766 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -29.033 1.164 -18.258 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -27.036 2.657 -18.623 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -27.777 3.260 -20.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -28.194 4.719 -18.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -29.652 4.047 -18.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -28.934 3.463 -17.368 1.00 0.00 H new ATOM 144 N LEU A 11 -25.351 -1.468 -20.991 1.00 0.00 N ATOM 145 CA LEU A 11 -23.953 -1.688 -20.516 1.00 0.00 C ATOM 146 C LEU A 11 -22.989 -2.454 -21.481 1.00 0.00 C ATOM 147 O LEU A 11 -21.784 -2.191 -21.441 1.00 0.00 O ATOM 148 CB LEU A 11 -24.043 -2.375 -19.121 1.00 0.00 C ATOM 149 CG LEU A 11 -22.750 -2.417 -18.258 1.00 0.00 C ATOM 150 CD1 LEU A 11 -22.338 -1.024 -17.739 1.00 0.00 C ATOM 151 CD2 LEU A 11 -22.920 -3.391 -17.076 1.00 0.00 C ATOM 0 H LEU A 11 -26.047 -1.984 -20.453 1.00 0.00 H new ATOM 0 HA LEU A 11 -23.480 -0.707 -20.467 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.816 -1.867 -18.545 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.380 -3.400 -19.272 1.00 0.00 H new ATOM 0 HG LEU A 11 -21.950 -2.770 -18.908 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -21.430 -1.112 -17.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -22.155 -0.360 -18.584 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -23.138 -0.614 -17.123 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.005 -3.407 -16.483 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -23.751 -3.064 -16.451 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -23.124 -4.392 -17.456 1.00 0.00 H new ATOM 163 N LYS A 12 -23.483 -3.377 -22.333 1.00 0.00 N ATOM 164 CA LYS A 12 -22.647 -4.107 -23.333 1.00 0.00 C ATOM 165 C LYS A 12 -21.855 -3.241 -24.367 1.00 0.00 C ATOM 166 O LYS A 12 -20.695 -3.564 -24.641 1.00 0.00 O ATOM 167 CB LYS A 12 -23.456 -5.254 -23.991 1.00 0.00 C ATOM 168 CG LYS A 12 -24.642 -4.842 -24.894 1.00 0.00 C ATOM 169 CD LYS A 12 -25.583 -6.003 -25.254 1.00 0.00 C ATOM 170 CE LYS A 12 -25.013 -6.995 -26.284 1.00 0.00 C ATOM 171 NZ LYS A 12 -25.986 -8.054 -26.605 1.00 0.00 N ATOM 0 H LYS A 12 -24.468 -3.643 -22.354 1.00 0.00 H new ATOM 0 HA LYS A 12 -21.835 -4.534 -22.745 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.769 -5.856 -24.586 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -23.840 -5.897 -23.199 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -25.216 -4.064 -24.390 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -24.252 -4.405 -25.813 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -25.831 -6.548 -24.343 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -26.514 -5.591 -25.643 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.741 -6.461 -27.194 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -24.100 -7.444 -25.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.572 -8.706 -27.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -26.226 -8.578 -25.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -26.847 -7.626 -27.001 1.00 0.00 H new ATOM 185 N GLU A 13 -22.463 -2.168 -24.915 1.00 0.00 N ATOM 186 CA GLU A 13 -21.789 -1.208 -25.831 1.00 0.00 C ATOM 187 C GLU A 13 -21.361 0.125 -25.144 1.00 0.00 C ATOM 188 O GLU A 13 -20.213 0.534 -25.328 1.00 0.00 O ATOM 189 CB GLU A 13 -22.565 -1.026 -27.169 1.00 0.00 C ATOM 190 CG GLU A 13 -23.889 -0.224 -27.201 1.00 0.00 C ATOM 191 CD GLU A 13 -25.073 -0.849 -26.455 1.00 0.00 C ATOM 192 OE1 GLU A 13 -25.487 -1.978 -26.802 1.00 0.00 O ATOM 193 OE2 GLU A 13 -25.600 -0.206 -25.523 1.00 0.00 O ATOM 0 H GLU A 13 -23.440 -1.937 -24.737 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.839 -1.666 -26.107 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -21.883 -0.552 -27.875 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -22.782 -2.022 -27.555 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -23.702 0.764 -26.781 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -24.177 -0.079 -28.242 1.00 0.00 H new ATOM 200 N PHE A 14 -22.241 0.793 -24.364 1.00 0.00 N ATOM 201 CA PHE A 14 -21.896 2.049 -23.629 1.00 0.00 C ATOM 202 C PHE A 14 -20.852 1.862 -22.477 1.00 0.00 C ATOM 203 O PHE A 14 -19.915 2.661 -22.404 1.00 0.00 O ATOM 204 CB PHE A 14 -23.200 2.770 -23.170 1.00 0.00 C ATOM 205 CG PHE A 14 -23.011 4.178 -22.571 1.00 0.00 C ATOM 206 CD1 PHE A 14 -22.704 5.266 -23.397 1.00 0.00 C ATOM 207 CD2 PHE A 14 -23.136 4.378 -21.191 1.00 0.00 C ATOM 208 CE1 PHE A 14 -22.518 6.532 -22.848 1.00 0.00 C ATOM 209 CE2 PHE A 14 -22.955 5.647 -20.646 1.00 0.00 C ATOM 210 CZ PHE A 14 -22.644 6.723 -21.474 1.00 0.00 C ATOM 0 H PHE A 14 -23.204 0.487 -24.222 1.00 0.00 H new ATOM 0 HA PHE A 14 -21.373 2.698 -24.332 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.871 2.846 -24.025 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -23.698 2.144 -22.429 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -22.611 5.123 -24.463 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.374 3.545 -20.546 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -22.276 7.367 -23.488 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -23.056 5.797 -19.581 1.00 0.00 H new ATOM 0 HZ PHE A 14 -22.500 7.706 -21.050 1.00 0.00 H new ATOM 220 N GLY A 15 -20.990 0.829 -21.617 1.00 0.00 N ATOM 221 CA GLY A 15 -19.936 0.459 -20.629 1.00 0.00 C ATOM 222 C GLY A 15 -18.558 0.045 -21.203 1.00 0.00 C ATOM 223 O GLY A 15 -17.538 0.530 -20.712 1.00 0.00 O ATOM 0 H GLY A 15 -21.817 0.233 -21.582 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.785 1.306 -19.960 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.313 -0.364 -20.022 1.00 0.00 H new ATOM 227 N ASN A 16 -18.535 -0.815 -22.242 1.00 0.00 N ATOM 228 CA ASN A 16 -17.293 -1.172 -22.988 1.00 0.00 C ATOM 229 C ASN A 16 -16.571 0.008 -23.727 1.00 0.00 C ATOM 230 O ASN A 16 -15.337 0.021 -23.745 1.00 0.00 O ATOM 231 CB ASN A 16 -17.633 -2.346 -23.950 1.00 0.00 C ATOM 232 CG ASN A 16 -16.419 -3.071 -24.564 1.00 0.00 C ATOM 233 OD1 ASN A 16 -15.984 -2.760 -25.672 1.00 0.00 O ATOM 234 ND2 ASN A 16 -15.847 -4.039 -23.862 1.00 0.00 N ATOM 0 H ASN A 16 -19.370 -1.285 -22.593 1.00 0.00 H new ATOM 0 HA ASN A 16 -16.551 -1.470 -22.247 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -18.234 -3.076 -23.407 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.253 -1.962 -24.760 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.039 -4.533 -24.239 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.215 -4.289 -22.944 1.00 0.00 H new ATOM 241 N THR A 17 -17.304 0.991 -24.303 1.00 0.00 N ATOM 242 CA THR A 17 -16.720 2.248 -24.848 1.00 0.00 C ATOM 243 C THR A 17 -15.996 3.086 -23.746 1.00 0.00 C ATOM 244 O THR A 17 -14.795 3.321 -23.890 1.00 0.00 O ATOM 245 CB THR A 17 -17.819 3.024 -25.638 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.302 2.225 -26.715 1.00 0.00 O ATOM 247 CG2 THR A 17 -17.346 4.349 -26.253 1.00 0.00 C ATOM 0 H THR A 17 -18.318 0.938 -24.405 1.00 0.00 H new ATOM 0 HA THR A 17 -15.926 2.010 -25.556 1.00 0.00 H new ATOM 0 HB THR A 17 -18.587 3.246 -24.897 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.970 1.592 -26.379 1.00 0.00 H new ATOM 0 HG21 THR A 17 -18.174 4.820 -26.783 1.00 0.00 H new ATOM 0 HG22 THR A 17 -16.996 5.013 -25.462 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.531 4.156 -26.951 1.00 0.00 H new ATOM 255 N LEU A 18 -16.685 3.478 -22.650 1.00 0.00 N ATOM 256 CA LEU A 18 -16.037 4.147 -21.474 1.00 0.00 C ATOM 257 C LEU A 18 -15.026 3.347 -20.586 1.00 0.00 C ATOM 258 O LEU A 18 -14.402 3.925 -19.690 1.00 0.00 O ATOM 259 CB LEU A 18 -17.102 4.942 -20.664 1.00 0.00 C ATOM 260 CG LEU A 18 -18.140 4.152 -19.806 1.00 0.00 C ATOM 261 CD1 LEU A 18 -17.618 3.786 -18.400 1.00 0.00 C ATOM 262 CD2 LEU A 18 -19.454 4.948 -19.672 1.00 0.00 C ATOM 0 H LEU A 18 -17.691 3.347 -22.545 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.321 4.826 -21.936 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.570 5.620 -19.996 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.659 5.560 -21.369 1.00 0.00 H new ATOM 0 HG LEU A 18 -18.319 3.218 -20.339 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.388 3.239 -17.857 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.728 3.164 -18.493 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.369 4.697 -17.856 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.164 4.380 -19.071 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.253 5.904 -19.189 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.876 5.123 -20.662 1.00 0.00 H new ATOM 274 N GLU A 19 -14.834 2.054 -20.878 1.00 0.00 N ATOM 275 CA GLU A 19 -13.750 1.213 -20.309 1.00 0.00 C ATOM 276 C GLU A 19 -12.391 1.491 -21.025 1.00 0.00 C ATOM 277 O GLU A 19 -11.452 1.942 -20.367 1.00 0.00 O ATOM 278 CB GLU A 19 -14.201 -0.270 -20.336 1.00 0.00 C ATOM 279 CG GLU A 19 -13.289 -1.253 -19.574 1.00 0.00 C ATOM 280 CD GLU A 19 -13.719 -2.709 -19.763 1.00 0.00 C ATOM 281 OE1 GLU A 19 -13.256 -3.355 -20.729 1.00 0.00 O ATOM 282 OE2 GLU A 19 -14.524 -3.214 -18.949 1.00 0.00 O ATOM 0 H GLU A 19 -15.434 1.545 -21.527 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.568 1.471 -19.266 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.205 -0.334 -19.918 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.267 -0.593 -21.375 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.262 -1.132 -19.917 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.301 -1.008 -18.512 1.00 0.00 H new ATOM 289 N ASP A 20 -12.306 1.263 -22.355 1.00 0.00 N ATOM 290 CA ASP A 20 -11.123 1.641 -23.180 1.00 0.00 C ATOM 291 C ASP A 20 -10.820 3.174 -23.258 1.00 0.00 C ATOM 292 O ASP A 20 -9.647 3.546 -23.222 1.00 0.00 O ATOM 293 CB ASP A 20 -11.280 0.990 -24.581 1.00 0.00 C ATOM 294 CG ASP A 20 -10.003 0.972 -25.435 1.00 0.00 C ATOM 295 OD1 ASP A 20 -9.037 0.269 -25.065 1.00 0.00 O ATOM 296 OD2 ASP A 20 -9.962 1.661 -26.478 1.00 0.00 O ATOM 0 H ASP A 20 -13.049 0.814 -22.890 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.238 1.253 -22.676 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.627 -0.035 -24.452 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.057 1.523 -25.128 1.00 0.00 H new ATOM 301 N LYS A 21 -11.849 4.045 -23.332 1.00 0.00 N ATOM 302 CA LYS A 21 -11.696 5.527 -23.248 1.00 0.00 C ATOM 303 C LYS A 21 -11.021 6.051 -21.937 1.00 0.00 C ATOM 304 O LYS A 21 -10.118 6.886 -22.026 1.00 0.00 O ATOM 305 CB LYS A 21 -13.092 6.172 -23.473 1.00 0.00 C ATOM 306 CG LYS A 21 -13.079 7.635 -23.960 1.00 0.00 C ATOM 307 CD LYS A 21 -14.506 8.194 -24.125 1.00 0.00 C ATOM 308 CE LYS A 21 -14.525 9.593 -24.760 1.00 0.00 C ATOM 309 NZ LYS A 21 -15.896 10.125 -24.855 1.00 0.00 N ATOM 0 H LYS A 21 -12.817 3.746 -23.452 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.997 5.826 -24.029 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.637 5.571 -24.200 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.650 6.124 -22.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.527 8.250 -23.249 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.552 7.697 -24.912 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.090 7.511 -24.742 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.991 8.236 -23.150 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.911 10.271 -24.167 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.081 9.548 -25.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.872 11.070 -25.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.475 9.490 -25.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.310 10.191 -23.903 1.00 0.00 H new ATOM 323 N ALA A 22 -11.431 5.551 -20.749 1.00 0.00 N ATOM 324 CA ALA A 22 -10.753 5.849 -19.457 1.00 0.00 C ATOM 325 C ALA A 22 -9.319 5.263 -19.278 1.00 0.00 C ATOM 326 O ALA A 22 -8.468 5.956 -18.719 1.00 0.00 O ATOM 327 CB ALA A 22 -11.666 5.394 -18.306 1.00 0.00 C ATOM 0 H ALA A 22 -12.236 4.932 -20.654 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.593 6.927 -19.452 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.182 5.606 -17.352 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.613 5.930 -18.359 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.850 4.323 -18.389 1.00 0.00 H new ATOM 333 N ARG A 23 -9.038 4.030 -19.754 1.00 0.00 N ATOM 334 CA ARG A 23 -7.654 3.462 -19.810 1.00 0.00 C ATOM 335 C ARG A 23 -6.663 4.263 -20.718 1.00 0.00 C ATOM 336 O ARG A 23 -5.544 4.547 -20.282 1.00 0.00 O ATOM 337 CB ARG A 23 -7.700 1.967 -20.236 1.00 0.00 C ATOM 338 CG ARG A 23 -8.332 1.001 -19.203 1.00 0.00 C ATOM 339 CD ARG A 23 -8.388 -0.477 -19.641 1.00 0.00 C ATOM 340 NE ARG A 23 -9.365 -0.718 -20.733 1.00 0.00 N ATOM 341 CZ ARG A 23 -9.602 -1.918 -21.296 1.00 0.00 C ATOM 342 NH1 ARG A 23 -8.996 -3.045 -20.927 1.00 0.00 N ATOM 343 NH2 ARG A 23 -10.489 -1.983 -22.272 1.00 0.00 N ATOM 0 H ARG A 23 -9.753 3.396 -20.111 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.257 3.549 -18.799 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.258 1.890 -21.169 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.683 1.635 -20.444 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.767 1.067 -18.273 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.345 1.338 -18.985 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.398 -0.791 -19.970 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.650 -1.096 -18.783 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.894 0.082 -21.081 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.306 -3.031 -20.176 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.222 -3.922 -21.396 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.972 -1.139 -22.579 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.691 -2.877 -22.719 1.00 0.00 H new ATOM 357 N GLU A 24 -7.084 4.658 -21.939 1.00 0.00 N ATOM 358 CA GLU A 24 -6.341 5.612 -22.813 1.00 0.00 C ATOM 359 C GLU A 24 -6.126 7.040 -22.210 1.00 0.00 C ATOM 360 O GLU A 24 -5.028 7.584 -22.354 1.00 0.00 O ATOM 361 CB GLU A 24 -7.060 5.723 -24.188 1.00 0.00 C ATOM 362 CG GLU A 24 -7.030 4.452 -25.068 1.00 0.00 C ATOM 363 CD GLU A 24 -7.908 4.583 -26.315 1.00 0.00 C ATOM 364 OE1 GLU A 24 -9.152 4.528 -26.187 1.00 0.00 O ATOM 365 OE2 GLU A 24 -7.359 4.743 -27.428 1.00 0.00 O ATOM 0 H GLU A 24 -7.954 4.326 -22.355 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.340 5.193 -22.919 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.101 5.995 -24.012 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.607 6.541 -24.749 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.003 4.247 -25.370 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.365 3.598 -24.479 1.00 0.00 H new ATOM 372 N LEU A 25 -7.142 7.632 -21.543 1.00 0.00 N ATOM 373 CA LEU A 25 -7.016 8.945 -20.850 1.00 0.00 C ATOM 374 C LEU A 25 -6.054 8.938 -19.619 1.00 0.00 C ATOM 375 O LEU A 25 -5.249 9.860 -19.503 1.00 0.00 O ATOM 376 CB LEU A 25 -8.442 9.464 -20.500 1.00 0.00 C ATOM 377 CG LEU A 25 -8.559 10.908 -19.930 1.00 0.00 C ATOM 378 CD1 LEU A 25 -8.096 11.996 -20.922 1.00 0.00 C ATOM 379 CD2 LEU A 25 -10.003 11.190 -19.473 1.00 0.00 C ATOM 0 H LEU A 25 -8.072 7.219 -21.467 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.533 9.639 -21.538 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.052 9.407 -21.402 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.881 8.779 -19.775 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.884 10.955 -19.075 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.204 12.978 -20.461 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.051 11.830 -21.182 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.706 11.949 -21.824 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.068 12.203 -19.077 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.680 11.088 -20.321 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.284 10.479 -18.697 1.00 0.00 H new ATOM 391 N ILE A 26 -6.112 7.923 -18.734 1.00 0.00 N ATOM 392 CA ILE A 26 -5.156 7.754 -17.592 1.00 0.00 C ATOM 393 C ILE A 26 -3.684 7.491 -18.074 1.00 0.00 C ATOM 394 O ILE A 26 -2.774 8.096 -17.508 1.00 0.00 O ATOM 395 CB ILE A 26 -5.715 6.709 -16.559 1.00 0.00 C ATOM 396 CG1 ILE A 26 -7.026 7.228 -15.886 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.698 6.317 -15.452 1.00 0.00 C ATOM 398 CD1 ILE A 26 -7.876 6.156 -15.203 1.00 0.00 C ATOM 0 H ILE A 26 -6.820 7.190 -18.780 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.082 8.698 -17.052 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.921 5.813 -17.144 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.761 7.984 -15.147 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.634 7.722 -16.644 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.155 5.593 -14.778 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.813 5.877 -15.911 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.411 7.206 -14.890 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.762 6.617 -14.767 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.179 5.410 -15.937 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.293 5.676 -14.417 1.00 0.00 H new ATOM 410 N SER A 27 -3.443 6.644 -19.102 1.00 0.00 N ATOM 411 CA SER A 27 -2.110 6.509 -19.767 1.00 0.00 C ATOM 412 C SER A 27 -1.485 7.823 -20.342 1.00 0.00 C ATOM 413 O SER A 27 -0.284 8.049 -20.165 1.00 0.00 O ATOM 414 CB SER A 27 -2.189 5.420 -20.864 1.00 0.00 C ATOM 415 OG SER A 27 -2.504 4.146 -20.310 1.00 0.00 O ATOM 0 H SER A 27 -4.158 6.034 -19.498 1.00 0.00 H new ATOM 0 HA SER A 27 -1.425 6.223 -18.969 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.945 5.696 -21.599 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.237 5.364 -21.392 1.00 0.00 H new ATOM 0 HG SER A 27 -3.475 4.064 -20.211 1.00 0.00 H new ATOM 421 N ARG A 28 -2.297 8.690 -20.979 1.00 0.00 N ATOM 422 CA ARG A 28 -1.904 10.080 -21.350 1.00 0.00 C ATOM 423 C ARG A 28 -1.621 11.024 -20.131 1.00 0.00 C ATOM 424 O ARG A 28 -0.628 11.757 -20.151 1.00 0.00 O ATOM 425 CB ARG A 28 -3.023 10.621 -22.287 1.00 0.00 C ATOM 426 CG ARG A 28 -2.791 12.025 -22.886 1.00 0.00 C ATOM 427 CD ARG A 28 -3.967 12.484 -23.772 1.00 0.00 C ATOM 428 NE ARG A 28 -3.799 13.881 -24.248 1.00 0.00 N ATOM 429 CZ ARG A 28 -4.245 14.977 -23.599 1.00 0.00 C ATOM 430 NH1 ARG A 28 -4.888 14.945 -22.431 1.00 0.00 N ATOM 431 NH2 ARG A 28 -4.030 16.156 -24.153 1.00 0.00 N ATOM 0 H ARG A 28 -3.250 8.453 -21.255 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.941 10.059 -21.860 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.153 9.916 -23.108 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.959 10.637 -21.729 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.645 12.743 -22.079 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.875 12.019 -23.476 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.055 11.818 -24.630 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.897 12.403 -23.209 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.310 14.023 -25.132 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.070 14.052 -21.973 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.198 15.814 -21.995 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.540 16.218 -25.045 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.354 17.004 -23.689 1.00 0.00 H new ATOM 445 N ILE A 29 -2.494 11.016 -19.104 1.00 0.00 N ATOM 446 CA ILE A 29 -2.452 11.954 -17.949 1.00 0.00 C ATOM 447 C ILE A 29 -1.326 11.539 -16.955 1.00 0.00 C ATOM 448 O ILE A 29 -0.275 12.183 -16.932 1.00 0.00 O ATOM 449 CB ILE A 29 -3.914 12.125 -17.386 1.00 0.00 C ATOM 450 CG1 ILE A 29 -4.858 12.901 -18.356 1.00 0.00 C ATOM 451 CG2 ILE A 29 -4.033 12.721 -15.958 1.00 0.00 C ATOM 452 CD1 ILE A 29 -4.522 14.377 -18.613 1.00 0.00 C ATOM 0 H ILE A 29 -3.263 10.349 -19.047 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.153 12.964 -18.230 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.244 11.089 -17.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.862 12.381 -19.314 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.872 12.847 -17.959 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.084 12.791 -15.679 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.512 12.076 -15.250 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.586 13.715 -15.940 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.252 14.802 -19.303 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.550 14.926 -17.672 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.525 14.453 -19.048 1.00 0.00 H new ATOM 464 N LYS A 30 -1.565 10.499 -16.130 1.00 0.00 N ATOM 465 CA LYS A 30 -0.673 10.082 -15.003 1.00 0.00 C ATOM 466 C LYS A 30 -0.295 11.243 -14.028 1.00 0.00 C ATOM 467 O LYS A 30 0.867 11.655 -13.944 1.00 0.00 O ATOM 468 CB LYS A 30 0.558 9.246 -15.477 1.00 0.00 C ATOM 469 CG LYS A 30 0.290 7.892 -16.172 1.00 0.00 C ATOM 470 CD LYS A 30 -0.421 6.844 -15.282 1.00 0.00 C ATOM 471 CE LYS A 30 -0.631 5.460 -15.921 1.00 0.00 C ATOM 472 NZ LYS A 30 0.622 4.719 -16.159 1.00 0.00 N ATOM 0 H LYS A 30 -2.393 9.910 -16.221 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.278 9.404 -14.400 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.138 9.864 -16.162 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.188 9.057 -14.608 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.317 8.068 -17.060 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.239 7.478 -16.511 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.158 6.718 -14.367 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.393 7.241 -14.991 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.277 4.866 -15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.155 5.583 -16.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.404 3.798 -16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.232 5.266 -16.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.114 4.570 -15.255 1.00 0.00 H new ATOM 486 N GLN A 31 -1.316 11.795 -13.340 1.00 0.00 N ATOM 487 CA GLN A 31 -1.216 13.017 -12.492 1.00 0.00 C ATOM 488 C GLN A 31 -0.519 14.257 -13.152 1.00 0.00 C ATOM 489 O GLN A 31 0.379 14.854 -12.559 1.00 0.00 O ATOM 490 CB GLN A 31 -0.685 12.670 -11.077 1.00 0.00 C ATOM 491 CG GLN A 31 -1.557 11.718 -10.229 1.00 0.00 C ATOM 492 CD GLN A 31 -0.938 11.420 -8.854 1.00 0.00 C ATOM 493 OE1 GLN A 31 -1.062 12.204 -7.913 1.00 0.00 O ATOM 494 NE2 GLN A 31 -0.258 10.293 -8.706 1.00 0.00 N ATOM 0 H GLN A 31 -2.256 11.400 -13.354 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.239 13.376 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.304 12.223 -11.183 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.557 13.600 -10.523 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.544 12.160 -10.091 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.700 10.783 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.160 9.649 -9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.168 10.069 -7.807 1.00 0.00 H new ATOM 503 N SER A 32 -0.948 14.644 -14.370 1.00 0.00 N ATOM 504 CA SER A 32 -0.265 15.675 -15.203 1.00 0.00 C ATOM 505 C SER A 32 -0.123 17.086 -14.553 1.00 0.00 C ATOM 506 O SER A 32 -1.041 17.564 -13.881 1.00 0.00 O ATOM 507 CB SER A 32 -0.986 15.766 -16.569 1.00 0.00 C ATOM 508 OG SER A 32 -2.329 16.230 -16.447 1.00 0.00 O ATOM 0 H SER A 32 -1.780 14.254 -14.812 1.00 0.00 H new ATOM 0 HA SER A 32 0.765 15.339 -15.317 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.431 16.437 -17.225 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.986 14.784 -17.043 1.00 0.00 H new ATOM 0 HG SER A 32 -2.742 16.272 -17.335 1.00 0.00 H new ATOM 514 N GLU A 33 1.054 17.718 -14.757 1.00 0.00 N ATOM 515 CA GLU A 33 1.436 19.030 -14.143 1.00 0.00 C ATOM 516 C GLU A 33 1.992 18.981 -12.684 1.00 0.00 C ATOM 517 O GLU A 33 2.976 19.663 -12.381 1.00 0.00 O ATOM 518 CB GLU A 33 0.446 20.195 -14.425 1.00 0.00 C ATOM 519 CG GLU A 33 1.025 21.618 -14.269 1.00 0.00 C ATOM 520 CD GLU A 33 0.003 22.709 -14.594 1.00 0.00 C ATOM 521 OE1 GLU A 33 -0.730 23.146 -13.677 1.00 0.00 O ATOM 522 OE2 GLU A 33 -0.074 23.137 -15.768 1.00 0.00 O ATOM 0 H GLU A 33 1.782 17.334 -15.359 1.00 0.00 H new ATOM 0 HA GLU A 33 2.327 19.292 -14.713 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.066 20.087 -15.441 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.406 20.094 -13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.381 21.751 -13.247 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.889 21.728 -14.924 1.00 0.00 H new ATOM 529 N LEU A 34 1.413 18.135 -11.817 1.00 0.00 N ATOM 530 CA LEU A 34 2.130 17.580 -10.629 1.00 0.00 C ATOM 531 C LEU A 34 3.305 16.629 -11.032 1.00 0.00 C ATOM 532 O LEU A 34 4.386 16.703 -10.442 1.00 0.00 O ATOM 533 CB LEU A 34 1.072 16.921 -9.688 1.00 0.00 C ATOM 534 CG LEU A 34 1.500 16.250 -8.346 1.00 0.00 C ATOM 535 CD1 LEU A 34 2.016 14.804 -8.509 1.00 0.00 C ATOM 536 CD2 LEU A 34 2.473 17.093 -7.497 1.00 0.00 C ATOM 0 H LEU A 34 0.449 17.812 -11.906 1.00 0.00 H new ATOM 0 HA LEU A 34 2.625 18.382 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.340 17.690 -9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.552 16.162 -10.273 1.00 0.00 H new ATOM 0 HG LEU A 34 0.567 16.196 -7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.294 14.405 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.232 14.185 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.887 14.800 -9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.719 16.553 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.384 17.279 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.004 18.043 -7.242 1.00 0.00 H new ATOM 548 N SER A 35 3.083 15.772 -12.047 1.00 0.00 N ATOM 549 CA SER A 35 4.116 14.915 -12.658 1.00 0.00 C ATOM 550 C SER A 35 4.921 15.752 -13.697 1.00 0.00 C ATOM 551 O SER A 35 5.643 16.656 -13.266 1.00 0.00 O ATOM 552 CB SER A 35 3.407 13.641 -13.183 1.00 0.00 C ATOM 553 OG SER A 35 2.913 12.837 -12.116 1.00 0.00 O ATOM 0 H SER A 35 2.164 15.654 -12.473 1.00 0.00 H new ATOM 0 HA SER A 35 4.875 14.565 -11.958 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.582 13.926 -13.836 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.104 13.058 -13.785 1.00 0.00 H new ATOM 0 HG SER A 35 2.166 12.289 -12.437 1.00 0.00 H new ATOM 559 N ALA A 36 4.821 15.466 -15.019 1.00 0.00 N ATOM 560 CA ALA A 36 5.658 16.098 -16.097 1.00 0.00 C ATOM 561 C ALA A 36 7.174 15.727 -16.043 1.00 0.00 C ATOM 562 O ALA A 36 7.666 15.008 -16.918 1.00 0.00 O ATOM 563 CB ALA A 36 5.377 17.607 -16.261 1.00 0.00 C ATOM 0 H ALA A 36 4.154 14.785 -15.381 1.00 0.00 H new ATOM 0 HA ALA A 36 5.323 15.637 -17.026 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.009 18.011 -17.052 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.329 17.756 -16.522 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.594 18.121 -15.325 1.00 0.00 H new ATOM 569 N LYS A 37 7.884 16.185 -14.996 1.00 0.00 N ATOM 570 CA LYS A 37 9.239 15.686 -14.628 1.00 0.00 C ATOM 571 C LYS A 37 9.251 14.207 -14.121 1.00 0.00 C ATOM 572 O LYS A 37 10.156 13.468 -14.512 1.00 0.00 O ATOM 573 CB LYS A 37 9.857 16.672 -13.600 1.00 0.00 C ATOM 574 CG LYS A 37 11.357 16.448 -13.306 1.00 0.00 C ATOM 575 CD LYS A 37 11.913 17.448 -12.272 1.00 0.00 C ATOM 576 CE LYS A 37 13.411 17.275 -11.951 1.00 0.00 C ATOM 577 NZ LYS A 37 13.707 16.049 -11.183 1.00 0.00 N ATOM 0 H LYS A 37 7.540 16.915 -14.373 1.00 0.00 H new ATOM 0 HA LYS A 37 9.852 15.657 -15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.721 17.689 -13.967 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.303 16.594 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.504 15.432 -12.939 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.923 16.537 -14.233 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.749 18.460 -12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.343 17.349 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.975 17.256 -12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.757 18.141 -11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.729 15.992 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.194 16.074 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.406 15.216 -11.729 1.00 0.00 H new ATOM 591 N MET A 38 8.261 13.766 -13.309 1.00 0.00 N ATOM 592 CA MET A 38 8.018 12.322 -13.018 1.00 0.00 C ATOM 593 C MET A 38 7.833 11.431 -14.286 1.00 0.00 C ATOM 594 O MET A 38 8.498 10.400 -14.364 1.00 0.00 O ATOM 595 CB MET A 38 6.801 12.144 -12.070 1.00 0.00 C ATOM 596 CG MET A 38 6.919 12.682 -10.635 1.00 0.00 C ATOM 597 SD MET A 38 8.065 11.660 -9.682 1.00 0.00 S ATOM 598 CE MET A 38 9.559 12.667 -9.649 1.00 0.00 C ATOM 0 H MET A 38 7.609 14.392 -12.837 1.00 0.00 H new ATOM 0 HA MET A 38 8.928 11.975 -12.529 1.00 0.00 H new ATOM 0 HB2 MET A 38 5.941 12.624 -12.537 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.578 11.079 -12.010 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.268 13.714 -10.653 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.939 12.685 -10.158 1.00 0.00 H new ATOM 0 HE1 MET A 38 10.410 12.046 -9.369 1.00 0.00 H new ATOM 0 HE2 MET A 38 9.731 13.095 -10.637 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.441 13.470 -8.921 1.00 0.00 H new ATOM 608 N ARG A 39 6.987 11.821 -15.269 1.00 0.00 N ATOM 609 CA ARG A 39 6.803 11.053 -16.540 1.00 0.00 C ATOM 610 C ARG A 39 8.082 10.911 -17.425 1.00 0.00 C ATOM 611 O ARG A 39 8.394 9.795 -17.853 1.00 0.00 O ATOM 612 CB ARG A 39 5.628 11.651 -17.360 1.00 0.00 C ATOM 613 CG ARG A 39 4.221 11.401 -16.764 1.00 0.00 C ATOM 614 CD ARG A 39 3.075 12.051 -17.560 1.00 0.00 C ATOM 615 NE ARG A 39 3.028 13.523 -17.374 1.00 0.00 N ATOM 616 CZ ARG A 39 2.292 14.367 -18.123 1.00 0.00 C ATOM 617 NH1 ARG A 39 1.468 13.978 -19.093 1.00 0.00 N ATOM 618 NH2 ARG A 39 2.394 15.660 -17.881 1.00 0.00 N ATOM 0 H ARG A 39 6.416 12.664 -15.213 1.00 0.00 H new ATOM 0 HA ARG A 39 6.569 10.034 -16.230 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.781 12.726 -17.454 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.659 11.235 -18.367 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.047 10.326 -16.710 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.199 11.779 -15.742 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.196 11.824 -18.619 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.126 11.616 -17.247 1.00 0.00 H new ATOM 0 HE ARG A 39 3.593 13.924 -16.626 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.365 12.986 -19.307 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.940 14.672 -19.622 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.016 15.994 -17.145 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.850 16.326 -18.430 1.00 0.00 H new ATOM 632 N GLU A 40 8.825 12.011 -17.670 1.00 0.00 N ATOM 633 CA GLU A 40 10.142 11.982 -18.373 1.00 0.00 C ATOM 634 C GLU A 40 11.259 11.161 -17.640 1.00 0.00 C ATOM 635 O GLU A 40 11.963 10.382 -18.288 1.00 0.00 O ATOM 636 CB GLU A 40 10.548 13.447 -18.692 1.00 0.00 C ATOM 637 CG GLU A 40 11.535 13.664 -19.862 1.00 0.00 C ATOM 638 CD GLU A 40 12.997 13.320 -19.573 1.00 0.00 C ATOM 639 OE1 GLU A 40 13.643 14.037 -18.776 1.00 0.00 O ATOM 640 OE2 GLU A 40 13.510 12.334 -20.147 1.00 0.00 O ATOM 0 H GLU A 40 8.536 12.948 -17.389 1.00 0.00 H new ATOM 0 HA GLU A 40 10.026 11.425 -19.303 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.640 14.011 -18.906 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.988 13.880 -17.793 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.201 13.065 -20.710 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.481 14.709 -20.169 1.00 0.00 H new ATOM 647 N TRP A 41 11.386 11.305 -16.304 1.00 0.00 N ATOM 648 CA TRP A 41 12.253 10.447 -15.449 1.00 0.00 C ATOM 649 C TRP A 41 11.876 8.929 -15.402 1.00 0.00 C ATOM 650 O TRP A 41 12.796 8.112 -15.343 1.00 0.00 O ATOM 651 CB TRP A 41 12.288 11.095 -14.036 1.00 0.00 C ATOM 652 CG TRP A 41 13.275 10.485 -13.032 1.00 0.00 C ATOM 653 CD1 TRP A 41 14.578 10.946 -12.754 1.00 0.00 C ATOM 654 CD2 TRP A 41 13.081 9.395 -12.200 1.00 0.00 C ATOM 655 NE1 TRP A 41 15.204 10.170 -11.760 1.00 0.00 N ATOM 656 CE2 TRP A 41 14.256 9.217 -11.428 1.00 0.00 C ATOM 657 CE3 TRP A 41 11.990 8.498 -12.071 1.00 0.00 C ATOM 658 CZ2 TRP A 41 14.342 8.148 -10.504 1.00 0.00 C ATOM 659 CZ3 TRP A 41 12.099 7.451 -11.152 1.00 0.00 C ATOM 660 CH2 TRP A 41 13.253 7.282 -10.378 1.00 0.00 C ATOM 0 H TRP A 41 10.888 12.024 -15.778 1.00 0.00 H new ATOM 0 HA TRP A 41 13.245 10.419 -15.901 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.526 12.152 -14.151 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.287 11.038 -13.609 1.00 0.00 H new ATOM 0 HD1 TRP A 41 15.039 11.791 -13.244 1.00 0.00 H new ATOM 0 HE1 TRP A 41 16.141 10.284 -11.373 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.098 8.621 -12.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 15.232 8.005 -9.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 11.278 6.759 -11.037 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.302 6.467 -9.671 1.00 0.00 H new ATOM 671 N PHE A 42 10.580 8.537 -15.393 1.00 0.00 N ATOM 672 CA PHE A 42 10.167 7.094 -15.463 1.00 0.00 C ATOM 673 C PHE A 42 10.577 6.377 -16.792 1.00 0.00 C ATOM 674 O PHE A 42 10.917 5.193 -16.758 1.00 0.00 O ATOM 675 CB PHE A 42 8.637 6.880 -15.217 1.00 0.00 C ATOM 676 CG PHE A 42 8.028 7.268 -13.848 1.00 0.00 C ATOM 677 CD1 PHE A 42 8.683 6.987 -12.642 1.00 0.00 C ATOM 678 CD2 PHE A 42 6.782 7.910 -13.805 1.00 0.00 C ATOM 679 CE1 PHE A 42 8.165 7.442 -11.433 1.00 0.00 C ATOM 680 CE2 PHE A 42 6.258 8.353 -12.594 1.00 0.00 C ATOM 681 CZ PHE A 42 6.963 8.143 -11.412 1.00 0.00 C ATOM 0 H PHE A 42 9.797 9.188 -15.338 1.00 0.00 H new ATOM 0 HA PHE A 42 10.724 6.633 -14.648 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.101 7.439 -15.984 1.00 0.00 H new ATOM 0 HB3 PHE A 42 8.423 5.824 -15.383 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.598 6.413 -12.650 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.225 8.062 -14.718 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.695 7.251 -10.512 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.304 8.860 -12.571 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.577 8.524 -10.478 1.00 0.00 H new ATOM 691 N SER A 43 10.581 7.105 -17.930 1.00 0.00 N ATOM 692 CA SER A 43 11.209 6.641 -19.198 1.00 0.00 C ATOM 693 C SER A 43 12.766 6.507 -19.143 1.00 0.00 C ATOM 694 O SER A 43 13.291 5.496 -19.615 1.00 0.00 O ATOM 695 CB SER A 43 10.741 7.566 -20.345 1.00 0.00 C ATOM 696 OG SER A 43 11.155 7.060 -21.608 1.00 0.00 O ATOM 0 H SER A 43 10.152 8.028 -18.001 1.00 0.00 H new ATOM 0 HA SER A 43 10.873 5.620 -19.377 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.655 7.657 -20.324 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.148 8.567 -20.199 1.00 0.00 H new ATOM 0 HG SER A 43 10.846 7.661 -22.318 1.00 0.00 H new ATOM 702 N GLU A 44 13.489 7.488 -18.556 1.00 0.00 N ATOM 703 CA GLU A 44 14.958 7.400 -18.300 1.00 0.00 C ATOM 704 C GLU A 44 15.385 6.198 -17.399 1.00 0.00 C ATOM 705 O GLU A 44 16.238 5.410 -17.812 1.00 0.00 O ATOM 706 CB GLU A 44 15.485 8.736 -17.708 1.00 0.00 C ATOM 707 CG GLU A 44 15.561 9.889 -18.726 1.00 0.00 C ATOM 708 CD GLU A 44 15.879 11.236 -18.071 1.00 0.00 C ATOM 709 OE1 GLU A 44 15.010 11.784 -17.356 1.00 0.00 O ATOM 710 OE2 GLU A 44 16.999 11.756 -18.268 1.00 0.00 O ATOM 0 H GLU A 44 13.076 8.367 -18.244 1.00 0.00 H new ATOM 0 HA GLU A 44 15.416 7.216 -19.272 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.838 9.036 -16.884 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.478 8.569 -17.290 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.325 9.662 -19.470 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.612 9.963 -19.257 1.00 0.00 H new ATOM 717 N THR A 45 14.781 6.055 -16.201 1.00 0.00 N ATOM 718 CA THR A 45 15.049 4.938 -15.247 1.00 0.00 C ATOM 719 C THR A 45 14.730 3.516 -15.816 1.00 0.00 C ATOM 720 O THR A 45 15.564 2.620 -15.665 1.00 0.00 O ATOM 721 CB THR A 45 14.347 5.245 -13.890 1.00 0.00 C ATOM 722 OG1 THR A 45 14.715 6.541 -13.420 1.00 0.00 O ATOM 723 CG2 THR A 45 14.667 4.262 -12.750 1.00 0.00 C ATOM 0 H THR A 45 14.084 6.715 -15.857 1.00 0.00 H new ATOM 0 HA THR A 45 16.125 4.891 -15.077 1.00 0.00 H new ATOM 0 HB THR A 45 13.285 5.161 -14.121 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.330 6.688 -12.531 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.131 4.562 -11.850 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.358 3.257 -13.039 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.739 4.270 -12.553 1.00 0.00 H new ATOM 731 N PHE A 46 13.578 3.324 -16.497 1.00 0.00 N ATOM 732 CA PHE A 46 13.269 2.089 -17.276 1.00 0.00 C ATOM 733 C PHE A 46 14.351 1.691 -18.333 1.00 0.00 C ATOM 734 O PHE A 46 14.811 0.548 -18.296 1.00 0.00 O ATOM 735 CB PHE A 46 11.843 2.258 -17.884 1.00 0.00 C ATOM 736 CG PHE A 46 11.295 1.063 -18.689 1.00 0.00 C ATOM 737 CD1 PHE A 46 10.847 -0.091 -18.035 1.00 0.00 C ATOM 738 CD2 PHE A 46 11.255 1.119 -20.087 1.00 0.00 C ATOM 739 CE1 PHE A 46 10.368 -1.172 -18.771 1.00 0.00 C ATOM 740 CE2 PHE A 46 10.772 0.039 -20.820 1.00 0.00 C ATOM 741 CZ PHE A 46 10.331 -1.108 -20.161 1.00 0.00 C ATOM 0 H PHE A 46 12.831 4.018 -16.526 1.00 0.00 H new ATOM 0 HA PHE A 46 13.289 1.237 -16.596 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.148 2.470 -17.071 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.850 3.133 -18.534 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.873 -0.143 -16.957 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.601 2.005 -20.599 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.025 -2.061 -18.263 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.739 0.089 -21.898 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.960 -1.948 -20.730 1.00 0.00 H new ATOM 751 N GLN A 47 14.761 2.609 -19.233 1.00 0.00 N ATOM 752 CA GLN A 47 15.827 2.347 -20.242 1.00 0.00 C ATOM 753 C GLN A 47 17.259 2.071 -19.673 1.00 0.00 C ATOM 754 O GLN A 47 17.954 1.227 -20.241 1.00 0.00 O ATOM 755 CB GLN A 47 15.865 3.488 -21.298 1.00 0.00 C ATOM 756 CG GLN A 47 14.626 3.622 -22.220 1.00 0.00 C ATOM 757 CD GLN A 47 14.356 2.420 -23.150 1.00 0.00 C ATOM 758 OE1 GLN A 47 15.264 1.838 -23.743 1.00 0.00 O ATOM 759 NE2 GLN A 47 13.100 2.032 -23.309 1.00 0.00 N ATOM 0 H GLN A 47 14.370 3.549 -19.287 1.00 0.00 H new ATOM 0 HA GLN A 47 15.539 1.404 -20.707 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.003 4.433 -20.773 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.743 3.341 -21.927 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.746 3.781 -21.596 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.747 4.514 -22.834 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.350 2.517 -22.816 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.882 1.248 -23.925 1.00 0.00 H new ATOM 768 N LYS A 48 17.693 2.733 -18.576 1.00 0.00 N ATOM 769 CA LYS A 48 18.993 2.449 -17.894 1.00 0.00 C ATOM 770 C LYS A 48 19.134 1.017 -17.280 1.00 0.00 C ATOM 771 O LYS A 48 20.185 0.398 -17.460 1.00 0.00 O ATOM 772 CB LYS A 48 19.286 3.538 -16.825 1.00 0.00 C ATOM 773 CG LYS A 48 19.624 4.937 -17.396 1.00 0.00 C ATOM 774 CD LYS A 48 19.963 6.009 -16.342 1.00 0.00 C ATOM 775 CE LYS A 48 18.776 6.462 -15.470 1.00 0.00 C ATOM 776 NZ LYS A 48 19.161 7.535 -14.538 1.00 0.00 N ATOM 0 H LYS A 48 17.158 3.480 -18.133 1.00 0.00 H new ATOM 0 HA LYS A 48 19.742 2.480 -18.685 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.418 3.628 -16.172 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.118 3.204 -16.205 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.469 4.840 -18.077 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.777 5.286 -17.987 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.746 5.622 -15.690 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.374 6.881 -16.851 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.966 6.810 -16.111 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.393 5.611 -14.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.336 7.813 -13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.916 7.194 -13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.503 8.357 -15.076 1.00 0.00 H new ATOM 790 N VAL A 49 18.097 0.477 -16.600 1.00 0.00 N ATOM 791 CA VAL A 49 18.040 -0.968 -16.198 1.00 0.00 C ATOM 792 C VAL A 49 17.974 -1.932 -17.434 1.00 0.00 C ATOM 793 O VAL A 49 18.701 -2.928 -17.469 1.00 0.00 O ATOM 794 CB VAL A 49 16.865 -1.276 -15.204 1.00 0.00 C ATOM 795 CG1 VAL A 49 16.922 -2.707 -14.612 1.00 0.00 C ATOM 796 CG2 VAL A 49 16.743 -0.303 -14.004 1.00 0.00 C ATOM 0 H VAL A 49 17.279 1.014 -16.312 1.00 0.00 H new ATOM 0 HA VAL A 49 18.976 -1.157 -15.673 1.00 0.00 H new ATOM 0 HB VAL A 49 15.994 -1.154 -15.848 1.00 0.00 H new ATOM 0 HG11 VAL A 49 16.082 -2.854 -13.934 1.00 0.00 H new ATOM 0 HG12 VAL A 49 16.868 -3.437 -15.419 1.00 0.00 H new ATOM 0 HG13 VAL A 49 17.856 -2.838 -14.066 1.00 0.00 H new ATOM 0 HG21 VAL A 49 15.902 -0.601 -13.378 1.00 0.00 H new ATOM 0 HG22 VAL A 49 17.661 -0.332 -13.417 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.580 0.710 -14.372 1.00 0.00 H new ATOM 806 N LYS A 50 17.082 -1.642 -18.402 1.00 0.00 N ATOM 807 CA LYS A 50 16.799 -2.504 -19.573 1.00 0.00 C ATOM 808 C LYS A 50 18.005 -2.764 -20.531 1.00 0.00 C ATOM 809 O LYS A 50 18.249 -3.922 -20.878 1.00 0.00 O ATOM 810 CB LYS A 50 15.565 -1.853 -20.257 1.00 0.00 C ATOM 811 CG LYS A 50 15.043 -2.483 -21.561 1.00 0.00 C ATOM 812 CD LYS A 50 13.839 -1.694 -22.117 1.00 0.00 C ATOM 813 CE LYS A 50 13.421 -2.053 -23.551 1.00 0.00 C ATOM 814 NZ LYS A 50 12.793 -3.383 -23.661 1.00 0.00 N ATOM 0 H LYS A 50 16.526 -0.787 -18.394 1.00 0.00 H new ATOM 0 HA LYS A 50 16.592 -3.525 -19.251 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.747 -1.851 -19.537 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.810 -0.811 -20.464 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.841 -2.505 -22.303 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.751 -3.517 -21.377 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.986 -1.853 -21.457 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.075 -0.631 -22.081 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.725 -1.299 -23.918 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.298 -2.019 -24.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.535 -3.564 -24.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.463 -4.111 -23.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.938 -3.413 -23.069 1.00 0.00 H new ATOM 828 N GLU A 51 18.759 -1.715 -20.921 1.00 0.00 N ATOM 829 CA GLU A 51 20.066 -1.856 -21.634 1.00 0.00 C ATOM 830 C GLU A 51 21.175 -2.721 -20.941 1.00 0.00 C ATOM 831 O GLU A 51 21.986 -3.331 -21.644 1.00 0.00 O ATOM 832 CB GLU A 51 20.589 -0.452 -22.054 1.00 0.00 C ATOM 833 CG GLU A 51 21.152 0.462 -20.936 1.00 0.00 C ATOM 834 CD GLU A 51 21.423 1.891 -21.407 1.00 0.00 C ATOM 835 OE1 GLU A 51 20.502 2.736 -21.335 1.00 0.00 O ATOM 836 OE2 GLU A 51 22.557 2.179 -21.847 1.00 0.00 O ATOM 0 H GLU A 51 18.489 -0.745 -20.756 1.00 0.00 H new ATOM 0 HA GLU A 51 19.836 -2.459 -22.513 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.371 -0.593 -22.800 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.773 0.079 -22.544 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.446 0.487 -20.106 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.077 0.030 -20.554 1.00 0.00 H new ATOM 843 N LYS A 52 21.196 -2.783 -19.593 1.00 0.00 N ATOM 844 CA LYS A 52 22.087 -3.702 -18.828 1.00 0.00 C ATOM 845 C LYS A 52 21.615 -5.191 -18.845 1.00 0.00 C ATOM 846 O LYS A 52 22.455 -6.079 -19.013 1.00 0.00 O ATOM 847 CB LYS A 52 22.281 -3.200 -17.368 1.00 0.00 C ATOM 848 CG LYS A 52 22.920 -1.803 -17.174 1.00 0.00 C ATOM 849 CD LYS A 52 24.400 -1.693 -17.605 1.00 0.00 C ATOM 850 CE LYS A 52 25.018 -0.291 -17.429 1.00 0.00 C ATOM 851 NZ LYS A 52 25.228 0.084 -16.017 1.00 0.00 N ATOM 0 H LYS A 52 20.602 -2.204 -19.000 1.00 0.00 H new ATOM 0 HA LYS A 52 23.048 -3.684 -19.342 1.00 0.00 H new ATOM 0 HB2 LYS A 52 21.306 -3.195 -16.881 1.00 0.00 H new ATOM 0 HB3 LYS A 52 22.897 -3.928 -16.840 1.00 0.00 H new ATOM 0 HG2 LYS A 52 22.339 -1.073 -17.738 1.00 0.00 H new ATOM 0 HG3 LYS A 52 22.843 -1.528 -16.122 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.986 -2.409 -17.029 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.482 -1.983 -18.653 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.973 -0.255 -17.953 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.368 0.446 -17.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.645 1.035 -15.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.316 0.080 -15.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.871 -0.599 -15.568 1.00 0.00 H new ATOM 865 N LEU A 53 20.300 -5.468 -18.694 1.00 0.00 N ATOM 866 CA LEU A 53 19.715 -6.821 -18.801 1.00 0.00 C ATOM 867 C LEU A 53 19.708 -7.357 -20.275 1.00 0.00 C ATOM 868 O LEU A 53 19.618 -6.570 -21.226 1.00 0.00 O ATOM 869 CB LEU A 53 18.269 -6.723 -18.254 1.00 0.00 C ATOM 870 CG LEU A 53 18.059 -6.463 -16.733 1.00 0.00 C ATOM 871 CD1 LEU A 53 16.569 -6.199 -16.437 1.00 0.00 C ATOM 872 CD2 LEU A 53 18.579 -7.610 -15.842 1.00 0.00 C ATOM 0 H LEU A 53 19.607 -4.747 -18.492 1.00 0.00 H new ATOM 0 HA LEU A 53 20.317 -7.528 -18.230 1.00 0.00 H new ATOM 0 HB2 LEU A 53 17.764 -5.925 -18.798 1.00 0.00 H new ATOM 0 HB3 LEU A 53 17.758 -7.653 -18.504 1.00 0.00 H new ATOM 0 HG LEU A 53 18.649 -5.581 -16.486 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.436 -6.019 -15.370 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.236 -5.325 -16.997 1.00 0.00 H new ATOM 0 HD13 LEU A 53 15.980 -7.066 -16.734 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.402 -7.366 -14.795 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.055 -8.532 -16.093 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.648 -7.744 -16.008 1.00 0.00 H new ATOM 884 N LYS A 54 19.806 -8.692 -20.465 1.00 0.00 N ATOM 885 CA LYS A 54 19.858 -9.318 -21.817 1.00 0.00 C ATOM 886 C LYS A 54 19.363 -10.792 -21.764 1.00 0.00 C ATOM 887 O LYS A 54 18.353 -11.102 -22.404 1.00 0.00 O ATOM 888 CB LYS A 54 21.188 -9.103 -22.610 1.00 0.00 C ATOM 889 CG LYS A 54 22.539 -9.615 -22.049 1.00 0.00 C ATOM 890 CD LYS A 54 23.159 -8.761 -20.924 1.00 0.00 C ATOM 891 CE LYS A 54 24.543 -9.268 -20.485 1.00 0.00 C ATOM 892 NZ LYS A 54 25.106 -8.433 -19.408 1.00 0.00 N ATOM 0 H LYS A 54 19.851 -9.364 -19.699 1.00 0.00 H new ATOM 0 HA LYS A 54 19.150 -8.764 -22.434 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.054 -9.561 -23.590 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.294 -8.030 -22.772 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.396 -10.629 -21.675 1.00 0.00 H new ATOM 0 HG3 LYS A 54 23.253 -9.676 -22.870 1.00 0.00 H new ATOM 0 HD2 LYS A 54 23.246 -7.729 -21.264 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.489 -8.758 -20.065 1.00 0.00 H new ATOM 0 HE2 LYS A 54 24.462 -10.300 -20.143 1.00 0.00 H new ATOM 0 HE3 LYS A 54 25.220 -9.267 -21.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 26.039 -8.802 -19.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 25.205 -7.454 -19.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.471 -8.454 -18.585 1.00 0.00 H new ATOM 906 N ILE A 55 20.037 -11.687 -21.007 1.00 0.00 N ATOM 907 CA ILE A 55 19.603 -13.101 -20.824 1.00 0.00 C ATOM 908 C ILE A 55 18.827 -13.134 -19.471 1.00 0.00 C ATOM 909 O ILE A 55 19.427 -13.226 -18.395 1.00 0.00 O ATOM 910 CB ILE A 55 20.813 -14.102 -20.909 1.00 0.00 C ATOM 911 CG1 ILE A 55 21.679 -14.000 -22.204 1.00 0.00 C ATOM 912 CG2 ILE A 55 20.387 -15.577 -20.683 1.00 0.00 C ATOM 913 CD1 ILE A 55 20.966 -14.220 -23.550 1.00 0.00 C ATOM 0 H ILE A 55 20.895 -11.456 -20.505 1.00 0.00 H new ATOM 0 HA ILE A 55 18.948 -13.440 -21.627 1.00 0.00 H new ATOM 0 HB ILE A 55 21.451 -13.778 -20.087 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.140 -13.013 -22.224 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.487 -14.728 -22.128 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.262 -16.223 -20.753 1.00 0.00 H new ATOM 0 HG22 ILE A 55 19.939 -15.679 -19.695 1.00 0.00 H new ATOM 0 HG23 ILE A 55 19.661 -15.866 -21.443 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.685 -14.121 -24.363 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.530 -15.219 -23.572 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.178 -13.477 -23.670 1.00 0.00 H new ATOM 925 N ASP A 56 17.489 -13.032 -19.561 1.00 0.00 N ATOM 926 CA ASP A 56 16.599 -12.888 -18.375 1.00 0.00 C ATOM 927 C ASP A 56 16.031 -14.280 -17.973 1.00 0.00 C ATOM 928 O ASP A 56 16.612 -14.915 -17.085 1.00 0.00 O ATOM 929 CB ASP A 56 15.538 -11.772 -18.615 1.00 0.00 C ATOM 930 CG ASP A 56 16.100 -10.341 -18.670 1.00 0.00 C ATOM 931 OD1 ASP A 56 16.523 -9.896 -19.760 1.00 0.00 O ATOM 932 OD2 ASP A 56 16.122 -9.661 -17.620 1.00 0.00 O ATOM 0 H ASP A 56 16.988 -13.046 -20.449 1.00 0.00 H new ATOM 0 HA ASP A 56 17.161 -12.543 -17.507 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.020 -11.979 -19.552 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.793 -11.823 -17.821 1.00 0.00 H new ATOM 937 N SER A 57 14.938 -14.761 -18.604 1.00 0.00 N ATOM 938 CA SER A 57 14.345 -16.092 -18.310 1.00 0.00 C ATOM 939 C SER A 57 13.931 -16.736 -19.647 1.00 0.00 C ATOM 940 O SER A 57 14.587 -17.717 -20.064 1.00 0.00 O ATOM 941 CB SER A 57 13.158 -15.986 -17.327 1.00 0.00 C ATOM 942 OG SER A 57 13.590 -15.539 -16.046 1.00 0.00 O ATOM 943 OXT SER A 57 12.961 -16.273 -20.292 1.00 0.00 O ATOM 0 H SER A 57 14.441 -14.243 -19.329 1.00 0.00 H new ATOM 0 HA SER A 57 15.082 -16.723 -17.814 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.414 -15.296 -17.724 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.673 -16.958 -17.232 1.00 0.00 H new ATOM 0 HG SER A 57 12.819 -15.479 -15.443 1.00 0.00 H new TER 949 SER A 57