USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 688 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 GLY N :NH3+ -156:sc= 0.00353 (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 129:sc= 0.00588 USER MOD Single : A 12 SER OG : rot -64:sc= 1.08 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.0081 (180deg=-0.207) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 162:sc= 0 (180deg=-0.0374) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 27 SER OG : rot -63:sc= 1.71 USER MOD Single : A 32 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.0081) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -170:sc= -0.236 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -141:sc= 0.0547 (180deg=-1.05) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc=-0.00916 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 174:sc= -1.03 (180deg=-1.17) USER MOD Single : A 66 CYS SG : rot -0:sc= 0.285 USER MOD Single : A 71 THR OG1 : rot -92:sc= 1.24 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00335 USER MOD Single : A 78 GLN : amide:sc= -0.277 K(o=-0.28,f=-2) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 66:sc= 1.27 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0125 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.618 3.552 -32.478 1.00 0.00 N ATOM 2 CA GLY A 1 -5.761 2.319 -31.694 1.00 0.00 C ATOM 3 C GLY A 1 -4.718 1.315 -32.138 1.00 0.00 C ATOM 4 O GLY A 1 -3.544 1.664 -32.202 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.015 4.351 -31.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.611 3.728 -32.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.127 3.451 -33.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.644 2.535 -30.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.760 1.904 -31.827 1.00 0.00 H new ATOM 8 N SER A 2 -5.139 0.094 -32.473 1.00 0.00 N ATOM 9 CA SER A 2 -4.308 -1.009 -32.935 1.00 0.00 C ATOM 10 C SER A 2 -3.006 -1.151 -32.135 1.00 0.00 C ATOM 11 O SER A 2 -1.911 -0.807 -32.593 1.00 0.00 O ATOM 12 CB SER A 2 -4.093 -0.872 -34.448 1.00 0.00 C ATOM 13 OG SER A 2 -3.901 -2.129 -35.074 1.00 0.00 O ATOM 0 H SER A 2 -6.125 -0.161 -32.425 1.00 0.00 H new ATOM 0 HA SER A 2 -4.829 -1.949 -32.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.954 -0.374 -34.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.226 -0.238 -34.635 1.00 0.00 H new ATOM 0 HG SER A 2 -3.769 -1.999 -36.036 1.00 0.00 H new ATOM 19 N SER A 3 -3.131 -1.621 -30.898 1.00 0.00 N ATOM 20 CA SER A 3 -1.989 -1.836 -30.026 1.00 0.00 C ATOM 21 C SER A 3 -2.311 -2.944 -29.032 1.00 0.00 C ATOM 22 O SER A 3 -3.487 -3.215 -28.762 1.00 0.00 O ATOM 23 CB SER A 3 -1.593 -0.519 -29.338 1.00 0.00 C ATOM 24 OG SER A 3 -2.566 -0.085 -28.413 1.00 0.00 O ATOM 0 H SER A 3 -4.027 -1.862 -30.475 1.00 0.00 H new ATOM 0 HA SER A 3 -1.126 -2.159 -30.609 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.641 -0.652 -28.825 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.443 0.252 -30.093 1.00 0.00 H new ATOM 0 HG SER A 3 -2.273 0.753 -27.999 1.00 0.00 H new ATOM 30 N GLY A 4 -1.275 -3.551 -28.458 1.00 0.00 N ATOM 31 CA GLY A 4 -1.447 -4.618 -27.489 1.00 0.00 C ATOM 32 C GLY A 4 -0.148 -5.139 -26.889 1.00 0.00 C ATOM 33 O GLY A 4 -0.215 -6.011 -26.019 1.00 0.00 O ATOM 0 H GLY A 4 -0.302 -3.316 -28.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.087 -4.260 -26.683 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.970 -5.446 -27.968 1.00 0.00 H new ATOM 37 N SER A 5 1.030 -4.676 -27.314 1.00 0.00 N ATOM 38 CA SER A 5 2.288 -5.152 -26.748 1.00 0.00 C ATOM 39 C SER A 5 2.392 -4.725 -25.283 1.00 0.00 C ATOM 40 O SER A 5 2.102 -3.576 -24.944 1.00 0.00 O ATOM 41 CB SER A 5 3.447 -4.628 -27.591 1.00 0.00 C ATOM 42 OG SER A 5 3.290 -5.095 -28.924 1.00 0.00 O ATOM 0 H SER A 5 1.136 -3.974 -28.046 1.00 0.00 H new ATOM 0 HA SER A 5 2.328 -6.241 -26.768 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.465 -3.538 -27.572 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.397 -4.970 -27.181 1.00 0.00 H new ATOM 0 HG SER A 5 4.029 -4.763 -29.476 1.00 0.00 H new ATOM 48 N SER A 6 2.788 -5.650 -24.408 1.00 0.00 N ATOM 49 CA SER A 6 2.915 -5.397 -22.978 1.00 0.00 C ATOM 50 C SER A 6 4.084 -4.462 -22.645 1.00 0.00 C ATOM 51 O SER A 6 3.902 -3.512 -21.883 1.00 0.00 O ATOM 52 CB SER A 6 3.094 -6.733 -22.241 1.00 0.00 C ATOM 53 OG SER A 6 2.179 -7.709 -22.719 1.00 0.00 O ATOM 0 H SER A 6 3.031 -6.603 -24.677 1.00 0.00 H new ATOM 0 HA SER A 6 2.003 -4.898 -22.651 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.115 -7.091 -22.374 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.946 -6.584 -21.171 1.00 0.00 H new ATOM 0 HG SER A 6 2.665 -8.529 -22.947 1.00 0.00 H new ATOM 59 N GLY A 7 5.258 -4.677 -23.250 1.00 0.00 N ATOM 60 CA GLY A 7 6.449 -3.877 -22.977 1.00 0.00 C ATOM 61 C GLY A 7 7.047 -4.501 -21.722 1.00 0.00 C ATOM 62 O GLY A 7 6.729 -4.104 -20.600 1.00 0.00 O ATOM 0 H GLY A 7 5.405 -5.412 -23.942 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.150 -3.912 -23.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.195 -2.829 -22.817 1.00 0.00 H new ATOM 66 N PHE A 8 7.816 -5.571 -21.906 1.00 0.00 N ATOM 67 CA PHE A 8 8.484 -6.367 -20.878 1.00 0.00 C ATOM 68 C PHE A 8 9.775 -5.723 -20.368 1.00 0.00 C ATOM 69 O PHE A 8 10.702 -6.426 -19.937 1.00 0.00 O ATOM 70 CB PHE A 8 8.735 -7.771 -21.443 1.00 0.00 C ATOM 71 CG PHE A 8 7.480 -8.425 -21.987 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.525 -8.958 -21.100 1.00 0.00 C ATOM 73 CD2 PHE A 8 7.263 -8.490 -23.376 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.359 -9.558 -21.603 1.00 0.00 C ATOM 75 CE2 PHE A 8 6.096 -9.091 -23.878 1.00 0.00 C ATOM 76 CZ PHE A 8 5.145 -9.626 -22.991 1.00 0.00 C ATOM 0 H PHE A 8 8.002 -5.930 -22.842 1.00 0.00 H new ATOM 0 HA PHE A 8 7.834 -6.426 -20.005 1.00 0.00 H new ATOM 0 HB2 PHE A 8 9.479 -7.709 -22.237 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.156 -8.402 -20.660 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.689 -8.905 -20.034 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.994 -8.078 -24.056 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.626 -9.967 -20.923 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.930 -9.142 -24.944 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.249 -10.090 -23.376 1.00 0.00 H new ATOM 86 N GLU A 9 9.855 -4.397 -20.429 1.00 0.00 N ATOM 87 CA GLU A 9 10.996 -3.617 -20.002 1.00 0.00 C ATOM 88 C GLU A 9 10.578 -2.800 -18.775 1.00 0.00 C ATOM 89 O GLU A 9 10.205 -1.636 -18.919 1.00 0.00 O ATOM 90 CB GLU A 9 11.538 -2.744 -21.154 1.00 0.00 C ATOM 91 CG GLU A 9 11.824 -3.515 -22.454 1.00 0.00 C ATOM 92 CD GLU A 9 10.585 -3.633 -23.351 1.00 0.00 C ATOM 93 OE1 GLU A 9 10.141 -2.594 -23.891 1.00 0.00 O ATOM 94 OE2 GLU A 9 10.061 -4.748 -23.560 1.00 0.00 O ATOM 0 H GLU A 9 9.095 -3.822 -20.792 1.00 0.00 H new ATOM 0 HA GLU A 9 11.824 -4.269 -19.722 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.817 -1.954 -21.365 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.456 -2.258 -20.824 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.620 -3.012 -23.003 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.187 -4.513 -22.209 1.00 0.00 H new ATOM 101 N PRO A 10 10.606 -3.367 -17.553 1.00 0.00 N ATOM 102 CA PRO A 10 10.244 -2.637 -16.341 1.00 0.00 C ATOM 103 C PRO A 10 11.319 -1.589 -16.010 1.00 0.00 C ATOM 104 O PRO A 10 11.119 -0.761 -15.115 1.00 0.00 O ATOM 105 CB PRO A 10 10.133 -3.702 -15.248 1.00 0.00 C ATOM 106 CG PRO A 10 11.144 -4.753 -15.693 1.00 0.00 C ATOM 107 CD PRO A 10 11.004 -4.721 -17.215 1.00 0.00 C ATOM 0 HA PRO A 10 9.309 -2.087 -16.448 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.376 -3.299 -14.265 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.125 -4.112 -15.184 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.156 -4.504 -15.373 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.913 -5.737 -15.285 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.945 -4.983 -17.699 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.260 -5.442 -17.553 1.00 0.00 H new ATOM 115 N ARG A 11 12.472 -1.643 -16.698 1.00 0.00 N ATOM 116 CA ARG A 11 13.631 -0.765 -16.589 1.00 0.00 C ATOM 117 C ARG A 11 14.103 -0.539 -15.157 1.00 0.00 C ATOM 118 O ARG A 11 14.758 0.469 -14.883 1.00 0.00 O ATOM 119 CB ARG A 11 13.339 0.536 -17.357 1.00 0.00 C ATOM 120 CG ARG A 11 13.186 0.355 -18.880 1.00 0.00 C ATOM 121 CD ARG A 11 14.498 0.013 -19.595 1.00 0.00 C ATOM 122 NE ARG A 11 15.510 1.072 -19.425 1.00 0.00 N ATOM 123 CZ ARG A 11 16.832 0.925 -19.556 1.00 0.00 C ATOM 124 NH1 ARG A 11 17.354 -0.260 -19.868 1.00 0.00 N ATOM 125 NH2 ARG A 11 17.633 1.968 -19.359 1.00 0.00 N ATOM 0 H ARG A 11 12.621 -2.366 -17.402 1.00 0.00 H new ATOM 0 HA ARG A 11 14.485 -1.260 -17.051 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.425 0.979 -16.962 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.145 1.245 -17.167 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.461 -0.436 -19.072 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.778 1.271 -19.307 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.888 -0.928 -19.207 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.304 -0.137 -20.657 1.00 0.00 H new ATOM 0 HE ARG A 11 15.170 2.003 -19.185 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.744 -1.065 -20.009 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.364 -0.363 -19.966 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.238 2.875 -19.109 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.643 1.861 -19.458 1.00 0.00 H new ATOM 139 N SER A 12 13.817 -1.470 -14.251 1.00 0.00 N ATOM 140 CA SER A 12 14.197 -1.388 -12.859 1.00 0.00 C ATOM 141 C SER A 12 14.376 -2.799 -12.311 1.00 0.00 C ATOM 142 O SER A 12 13.468 -3.626 -12.436 1.00 0.00 O ATOM 143 CB SER A 12 13.136 -0.597 -12.084 1.00 0.00 C ATOM 144 OG SER A 12 11.800 -0.940 -12.442 1.00 0.00 O ATOM 0 H SER A 12 13.302 -2.320 -14.478 1.00 0.00 H new ATOM 0 HA SER A 12 15.144 -0.860 -12.748 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.274 -0.769 -11.016 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.289 0.468 -12.258 1.00 0.00 H new ATOM 0 HG SER A 12 11.641 -0.700 -13.379 1.00 0.00 H new ATOM 150 N LEU A 13 15.584 -3.110 -11.845 1.00 0.00 N ATOM 151 CA LEU A 13 15.929 -4.394 -11.245 1.00 0.00 C ATOM 152 C LEU A 13 15.367 -4.394 -9.815 1.00 0.00 C ATOM 153 O LEU A 13 14.756 -3.414 -9.386 1.00 0.00 O ATOM 154 CB LEU A 13 17.462 -4.562 -11.214 1.00 0.00 C ATOM 155 CG LEU A 13 18.126 -4.629 -12.600 1.00 0.00 C ATOM 156 CD1 LEU A 13 19.651 -4.599 -12.466 1.00 0.00 C ATOM 157 CD2 LEU A 13 17.708 -5.879 -13.376 1.00 0.00 C ATOM 0 H LEU A 13 16.368 -2.459 -11.876 1.00 0.00 H new ATOM 0 HA LEU A 13 15.510 -5.219 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 13 17.895 -3.730 -10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.704 -5.472 -10.665 1.00 0.00 H new ATOM 0 HG LEU A 13 17.789 -3.755 -13.158 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.104 -4.647 -13.456 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.955 -3.676 -11.972 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.981 -5.453 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.200 -5.885 -14.348 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.998 -6.768 -12.817 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.627 -5.875 -13.517 1.00 0.00 H new ATOM 169 N ILE A 14 15.556 -5.486 -9.079 1.00 0.00 N ATOM 170 CA ILE A 14 15.105 -5.635 -7.699 1.00 0.00 C ATOM 171 C ILE A 14 16.166 -6.430 -6.945 1.00 0.00 C ATOM 172 O ILE A 14 16.872 -7.246 -7.546 1.00 0.00 O ATOM 173 CB ILE A 14 13.727 -6.344 -7.615 1.00 0.00 C ATOM 174 CG1 ILE A 14 13.718 -7.713 -8.340 1.00 0.00 C ATOM 175 CG2 ILE A 14 12.613 -5.422 -8.135 1.00 0.00 C ATOM 176 CD1 ILE A 14 12.452 -8.537 -8.090 1.00 0.00 C ATOM 0 H ILE A 14 16.039 -6.311 -9.435 1.00 0.00 H new ATOM 0 HA ILE A 14 14.974 -4.649 -7.252 1.00 0.00 H new ATOM 0 HB ILE A 14 13.535 -6.556 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.826 -7.547 -9.412 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.585 -8.290 -8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.654 -5.936 -8.068 1.00 0.00 H new ATOM 0 HG22 ILE A 14 12.581 -4.515 -7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.813 -5.160 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.520 -9.481 -8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.352 -8.736 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 14 11.581 -7.981 -8.438 1.00 0.00 H new ATOM 188 N THR A 15 16.258 -6.238 -5.632 1.00 0.00 N ATOM 189 CA THR A 15 17.210 -6.953 -4.786 1.00 0.00 C ATOM 190 C THR A 15 16.561 -8.197 -4.150 1.00 0.00 C ATOM 191 O THR A 15 17.287 -9.034 -3.602 1.00 0.00 O ATOM 192 CB THR A 15 17.831 -5.986 -3.751 1.00 0.00 C ATOM 193 OG1 THR A 15 16.964 -4.916 -3.408 1.00 0.00 O ATOM 194 CG2 THR A 15 19.095 -5.342 -4.335 1.00 0.00 C ATOM 0 H THR A 15 15.671 -5.578 -5.122 1.00 0.00 H new ATOM 0 HA THR A 15 18.029 -7.328 -5.399 1.00 0.00 H new ATOM 0 HB THR A 15 18.038 -6.587 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 15 17.403 -4.337 -2.751 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.529 -4.662 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 15 19.819 -6.119 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.837 -4.787 -5.237 1.00 0.00 H new ATOM 202 N SER A 16 15.243 -8.377 -4.331 1.00 0.00 N ATOM 203 CA SER A 16 14.392 -9.449 -3.811 1.00 0.00 C ATOM 204 C SER A 16 14.117 -9.180 -2.322 1.00 0.00 C ATOM 205 O SER A 16 14.608 -8.180 -1.785 1.00 0.00 O ATOM 206 CB SER A 16 14.953 -10.837 -4.147 1.00 0.00 C ATOM 207 OG SER A 16 13.935 -11.817 -4.108 1.00 0.00 O ATOM 0 H SER A 16 14.704 -7.718 -4.893 1.00 0.00 H new ATOM 0 HA SER A 16 13.422 -9.452 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.408 -10.819 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.740 -11.096 -3.439 1.00 0.00 H new ATOM 0 HG SER A 16 14.316 -12.693 -4.327 1.00 0.00 H new ATOM 213 N ASP A 17 13.306 -10.004 -1.650 1.00 0.00 N ATOM 214 CA ASP A 17 12.975 -9.784 -0.236 1.00 0.00 C ATOM 215 C ASP A 17 12.707 -11.091 0.522 1.00 0.00 C ATOM 216 O ASP A 17 12.628 -12.140 -0.119 1.00 0.00 O ATOM 217 CB ASP A 17 11.771 -8.836 -0.173 1.00 0.00 C ATOM 218 CG ASP A 17 11.939 -7.854 0.973 1.00 0.00 C ATOM 219 OD1 ASP A 17 11.746 -8.244 2.146 1.00 0.00 O ATOM 220 OD2 ASP A 17 12.331 -6.695 0.693 1.00 0.00 O ATOM 0 H ASP A 17 12.867 -10.828 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 17 13.834 -9.336 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.675 -8.295 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.854 -9.409 -0.039 1.00 0.00 H new ATOM 225 N LYS A 18 12.595 -11.074 1.862 1.00 0.00 N ATOM 226 CA LYS A 18 12.348 -12.269 2.687 1.00 0.00 C ATOM 227 C LYS A 18 11.633 -11.917 4.000 1.00 0.00 C ATOM 228 O LYS A 18 12.302 -11.538 4.969 1.00 0.00 O ATOM 229 CB LYS A 18 13.672 -12.986 3.048 1.00 0.00 C ATOM 230 CG LYS A 18 14.453 -13.626 1.893 1.00 0.00 C ATOM 231 CD LYS A 18 15.592 -14.487 2.468 1.00 0.00 C ATOM 232 CE LYS A 18 16.657 -14.876 1.435 1.00 0.00 C ATOM 233 NZ LYS A 18 17.383 -13.691 0.945 1.00 0.00 N ATOM 0 H LYS A 18 12.675 -10.217 2.410 1.00 0.00 H new ATOM 0 HA LYS A 18 11.716 -12.924 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.325 -12.265 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.448 -13.764 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.788 -14.240 1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.859 -12.853 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.071 -13.943 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.167 -15.394 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.361 -15.578 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.184 -15.388 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.249 -13.993 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.778 -13.161 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.636 -13.082 1.749 1.00 0.00 H new ATOM 247 N GLY A 19 10.317 -12.112 4.091 1.00 0.00 N ATOM 248 CA GLY A 19 9.521 -11.828 5.288 1.00 0.00 C ATOM 249 C GLY A 19 8.347 -10.936 4.917 1.00 0.00 C ATOM 250 O GLY A 19 7.770 -11.119 3.845 1.00 0.00 O ATOM 0 H GLY A 19 9.762 -12.480 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.160 -12.758 5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.139 -11.339 6.041 1.00 0.00 H new ATOM 254 N PHE A 20 7.894 -10.074 5.828 1.00 0.00 N ATOM 255 CA PHE A 20 6.802 -9.149 5.529 1.00 0.00 C ATOM 256 C PHE A 20 7.425 -7.936 4.836 1.00 0.00 C ATOM 257 O PHE A 20 8.603 -7.638 5.065 1.00 0.00 O ATOM 258 CB PHE A 20 6.027 -8.758 6.793 1.00 0.00 C ATOM 259 CG PHE A 20 4.729 -9.526 6.951 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.745 -10.927 7.097 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.498 -8.844 6.904 1.00 0.00 C ATOM 262 CE1 PHE A 20 3.536 -11.636 7.197 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.290 -9.558 6.982 1.00 0.00 C ATOM 264 CZ PHE A 20 2.310 -10.955 7.123 1.00 0.00 C ATOM 0 H PHE A 20 8.265 -9.998 6.775 1.00 0.00 H new ATOM 0 HA PHE A 20 6.067 -9.620 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.655 -8.932 7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.810 -7.690 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.686 -11.456 7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.482 -7.768 6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.550 -12.708 7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.347 -9.033 6.934 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.382 -11.506 7.175 1.00 0.00 H new ATOM 274 N VAL A 21 6.626 -7.224 4.044 1.00 0.00 N ATOM 275 CA VAL A 21 7.010 -6.054 3.273 1.00 0.00 C ATOM 276 C VAL A 21 5.950 -4.958 3.429 1.00 0.00 C ATOM 277 O VAL A 21 4.753 -5.246 3.502 1.00 0.00 O ATOM 278 CB VAL A 21 7.252 -6.509 1.809 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.049 -7.208 1.148 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.696 -5.369 0.890 1.00 0.00 C ATOM 0 H VAL A 21 5.643 -7.464 3.920 1.00 0.00 H new ATOM 0 HA VAL A 21 7.938 -5.609 3.633 1.00 0.00 H new ATOM 0 HB VAL A 21 8.057 -7.236 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.308 -7.491 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.789 -8.100 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.197 -6.528 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.848 -5.753 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.928 -4.596 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.629 -4.945 1.261 1.00 0.00 H new ATOM 290 N THR A 22 6.382 -3.705 3.569 1.00 0.00 N ATOM 291 CA THR A 22 5.492 -2.557 3.691 1.00 0.00 C ATOM 292 C THR A 22 5.074 -2.178 2.263 1.00 0.00 C ATOM 293 O THR A 22 5.881 -2.257 1.332 1.00 0.00 O ATOM 294 CB THR A 22 6.208 -1.426 4.455 1.00 0.00 C ATOM 295 OG1 THR A 22 6.134 -1.683 5.843 1.00 0.00 O ATOM 296 CG2 THR A 22 5.614 -0.033 4.221 1.00 0.00 C ATOM 0 H THR A 22 7.371 -3.459 3.601 1.00 0.00 H new ATOM 0 HA THR A 22 4.594 -2.773 4.270 1.00 0.00 H new ATOM 0 HB THR A 22 7.231 -1.419 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.590 -0.967 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.176 0.703 4.795 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.671 0.213 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.572 -0.023 4.541 1.00 0.00 H new ATOM 304 N MET A 23 3.821 -1.763 2.098 1.00 0.00 N ATOM 305 CA MET A 23 3.190 -1.347 0.854 1.00 0.00 C ATOM 306 C MET A 23 2.582 0.036 1.091 1.00 0.00 C ATOM 307 O MET A 23 2.068 0.320 2.181 1.00 0.00 O ATOM 308 CB MET A 23 2.089 -2.359 0.485 1.00 0.00 C ATOM 309 CG MET A 23 2.557 -3.531 -0.378 1.00 0.00 C ATOM 310 SD MET A 23 2.523 -3.128 -2.144 1.00 0.00 S ATOM 311 CE MET A 23 2.673 -4.763 -2.898 1.00 0.00 C ATOM 0 H MET A 23 3.177 -1.705 2.887 1.00 0.00 H new ATOM 0 HA MET A 23 3.910 -1.306 0.037 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.655 -2.753 1.404 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.294 -1.833 -0.043 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.570 -3.812 -0.090 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.921 -4.396 -0.191 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.351 -4.715 -3.938 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.712 -5.090 -2.854 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.046 -5.472 -2.357 1.00 0.00 H new ATOM 321 N THR A 24 2.552 0.868 0.058 1.00 0.00 N ATOM 322 CA THR A 24 2.018 2.225 0.082 1.00 0.00 C ATOM 323 C THR A 24 0.833 2.292 -0.883 1.00 0.00 C ATOM 324 O THR A 24 0.779 1.547 -1.868 1.00 0.00 O ATOM 325 CB THR A 24 3.135 3.205 -0.351 1.00 0.00 C ATOM 326 OG1 THR A 24 4.422 2.781 0.049 1.00 0.00 O ATOM 327 CG2 THR A 24 2.980 4.604 0.227 1.00 0.00 C ATOM 0 H THR A 24 2.914 0.605 -0.859 1.00 0.00 H new ATOM 0 HA THR A 24 1.680 2.498 1.082 1.00 0.00 H new ATOM 0 HB THR A 24 3.034 3.221 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.089 3.433 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.799 5.234 -0.120 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.031 5.030 -0.100 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.999 4.552 1.316 1.00 0.00 H new ATOM 335 N LEU A 25 -0.139 3.158 -0.587 1.00 0.00 N ATOM 336 CA LEU A 25 -1.317 3.373 -1.411 1.00 0.00 C ATOM 337 C LEU A 25 -1.550 4.877 -1.367 1.00 0.00 C ATOM 338 O LEU A 25 -1.881 5.406 -0.303 1.00 0.00 O ATOM 339 CB LEU A 25 -2.519 2.562 -0.901 1.00 0.00 C ATOM 340 CG LEU A 25 -3.675 2.522 -1.918 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.385 1.599 -3.108 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.955 2.025 -1.233 1.00 0.00 C ATOM 0 H LEU A 25 -0.123 3.739 0.251 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.179 3.028 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.199 1.544 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.876 2.995 0.033 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.794 3.539 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.234 1.610 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.494 1.947 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.221 0.583 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.769 1.999 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.790 1.023 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.217 2.699 -0.418 1.00 0.00 H new ATOM 354 N GLU A 26 -1.266 5.566 -2.467 1.00 0.00 N ATOM 355 CA GLU A 26 -1.432 7.012 -2.571 1.00 0.00 C ATOM 356 C GLU A 26 -2.826 7.306 -3.129 1.00 0.00 C ATOM 357 O GLU A 26 -3.375 6.510 -3.896 1.00 0.00 O ATOM 358 CB GLU A 26 -0.313 7.631 -3.429 1.00 0.00 C ATOM 359 CG GLU A 26 1.084 7.411 -2.805 1.00 0.00 C ATOM 360 CD GLU A 26 2.220 8.192 -3.485 1.00 0.00 C ATOM 361 OE1 GLU A 26 1.970 9.168 -4.225 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.410 7.872 -3.230 1.00 0.00 O ATOM 0 H GLU A 26 -0.911 5.133 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.350 7.472 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.337 7.193 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.494 8.700 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.046 7.694 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.320 6.347 -2.841 1.00 0.00 H new ATOM 369 N SER A 27 -3.394 8.442 -2.733 1.00 0.00 N ATOM 370 CA SER A 27 -4.716 8.902 -3.139 1.00 0.00 C ATOM 371 C SER A 27 -4.588 10.064 -4.135 1.00 0.00 C ATOM 372 O SER A 27 -3.478 10.416 -4.553 1.00 0.00 O ATOM 373 CB SER A 27 -5.486 9.309 -1.871 1.00 0.00 C ATOM 374 OG SER A 27 -5.429 8.285 -0.891 1.00 0.00 O ATOM 0 H SER A 27 -2.928 9.090 -2.098 1.00 0.00 H new ATOM 0 HA SER A 27 -5.266 8.111 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.065 10.229 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.525 9.518 -2.124 1.00 0.00 H new ATOM 0 HG SER A 27 -5.874 7.481 -1.232 1.00 0.00 H new ATOM 380 N LEU A 28 -5.722 10.656 -4.529 1.00 0.00 N ATOM 381 CA LEU A 28 -5.771 11.787 -5.461 1.00 0.00 C ATOM 382 C LEU A 28 -5.967 13.096 -4.689 1.00 0.00 C ATOM 383 O LEU A 28 -5.435 14.137 -5.076 1.00 0.00 O ATOM 384 CB LEU A 28 -6.912 11.614 -6.470 1.00 0.00 C ATOM 385 CG LEU A 28 -6.893 10.304 -7.280 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.133 10.278 -8.173 1.00 0.00 C ATOM 387 CD2 LEU A 28 -5.635 10.161 -8.144 1.00 0.00 C ATOM 0 H LEU A 28 -6.642 10.359 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.826 11.821 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.859 11.675 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.886 12.451 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.890 9.470 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.141 9.358 -8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.029 10.323 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.115 11.135 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.675 9.220 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.582 10.990 -8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.752 10.171 -7.505 1.00 0.00 H new ATOM 399 N GLU A 29 -6.714 13.057 -3.586 1.00 0.00 N ATOM 400 CA GLU A 29 -7.009 14.181 -2.708 1.00 0.00 C ATOM 401 C GLU A 29 -6.927 13.690 -1.256 1.00 0.00 C ATOM 402 O GLU A 29 -6.608 12.523 -1.013 1.00 0.00 O ATOM 403 CB GLU A 29 -8.375 14.803 -3.067 1.00 0.00 C ATOM 404 CG GLU A 29 -8.253 15.831 -4.204 1.00 0.00 C ATOM 405 CD GLU A 29 -9.281 16.953 -4.060 1.00 0.00 C ATOM 406 OE1 GLU A 29 -9.016 17.916 -3.300 1.00 0.00 O ATOM 407 OE2 GLU A 29 -10.352 16.929 -4.704 1.00 0.00 O ATOM 0 H GLU A 29 -7.151 12.193 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.279 14.980 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.067 14.014 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.798 15.285 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.249 16.255 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.390 15.332 -5.163 1.00 0.00 H new ATOM 414 N GLU A 30 -7.145 14.594 -0.300 1.00 0.00 N ATOM 415 CA GLU A 30 -7.109 14.302 1.126 1.00 0.00 C ATOM 416 C GLU A 30 -8.226 13.312 1.470 1.00 0.00 C ATOM 417 O GLU A 30 -9.395 13.589 1.186 1.00 0.00 O ATOM 418 CB GLU A 30 -7.312 15.617 1.898 1.00 0.00 C ATOM 419 CG GLU A 30 -7.037 15.424 3.391 1.00 0.00 C ATOM 420 CD GLU A 30 -7.805 16.421 4.248 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.391 17.601 4.355 1.00 0.00 O ATOM 422 OE2 GLU A 30 -8.819 16.027 4.864 1.00 0.00 O ATOM 0 H GLU A 30 -7.356 15.571 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.151 13.860 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.648 16.384 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.332 15.973 1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.311 14.410 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.969 15.532 3.579 1.00 0.00 H new ATOM 429 N ILE A 31 -7.895 12.166 2.066 1.00 0.00 N ATOM 430 CA ILE A 31 -8.901 11.173 2.435 1.00 0.00 C ATOM 431 C ILE A 31 -9.411 11.438 3.855 1.00 0.00 C ATOM 432 O ILE A 31 -8.692 11.976 4.701 1.00 0.00 O ATOM 433 CB ILE A 31 -8.368 9.740 2.258 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.091 9.471 3.078 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.138 9.460 0.763 1.00 0.00 C ATOM 436 CD1 ILE A 31 -6.898 7.989 3.378 1.00 0.00 C ATOM 0 H ILE A 31 -6.938 11.904 2.303 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.750 11.268 1.758 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.122 9.055 2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.225 9.845 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.140 10.026 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.760 8.445 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.079 9.567 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.411 10.169 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.985 7.851 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.750 7.619 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.821 7.435 2.442 1.00 0.00 H new ATOM 448 N GLN A 32 -10.653 11.026 4.122 1.00 0.00 N ATOM 449 CA GLN A 32 -11.289 11.208 5.420 1.00 0.00 C ATOM 450 C GLN A 32 -10.607 10.400 6.523 1.00 0.00 C ATOM 451 O GLN A 32 -10.278 10.976 7.560 1.00 0.00 O ATOM 452 CB GLN A 32 -12.787 10.865 5.328 1.00 0.00 C ATOM 453 CG GLN A 32 -13.630 12.076 4.912 1.00 0.00 C ATOM 454 CD GLN A 32 -13.863 13.002 6.102 1.00 0.00 C ATOM 455 OE1 GLN A 32 -14.821 12.820 6.854 1.00 0.00 O ATOM 456 NE2 GLN A 32 -13.008 13.990 6.297 1.00 0.00 N ATOM 0 H GLN A 32 -11.245 10.555 3.437 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.181 12.257 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -12.931 10.059 4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.134 10.496 6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.125 12.620 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.587 11.740 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.223 14.118 5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.133 14.624 7.086 1.00 0.00 H new ATOM 465 N ASP A 33 -10.455 9.082 6.352 1.00 0.00 N ATOM 466 CA ASP A 33 -9.828 8.194 7.337 1.00 0.00 C ATOM 467 C ASP A 33 -9.514 6.845 6.666 1.00 0.00 C ATOM 468 O ASP A 33 -9.863 6.653 5.495 1.00 0.00 O ATOM 469 CB ASP A 33 -10.766 7.999 8.544 1.00 0.00 C ATOM 470 CG ASP A 33 -9.982 7.861 9.846 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.239 6.862 9.996 1.00 0.00 O ATOM 472 OD2 ASP A 33 -10.132 8.723 10.741 1.00 0.00 O ATOM 0 H ASP A 33 -10.769 8.595 5.513 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.900 8.637 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.448 8.846 8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.378 7.110 8.391 1.00 0.00 H new ATOM 477 N VAL A 34 -8.891 5.893 7.375 1.00 0.00 N ATOM 478 CA VAL A 34 -8.548 4.574 6.824 1.00 0.00 C ATOM 479 C VAL A 34 -9.780 3.826 6.297 1.00 0.00 C ATOM 480 O VAL A 34 -9.654 3.028 5.371 1.00 0.00 O ATOM 481 CB VAL A 34 -7.751 3.697 7.816 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.326 4.218 8.025 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.412 3.520 9.190 1.00 0.00 C ATOM 0 H VAL A 34 -8.610 6.016 8.348 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.893 4.773 5.976 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.731 2.719 7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.802 3.572 8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.796 4.221 7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.364 5.232 8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.782 2.891 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.537 4.495 9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.387 3.049 9.067 1.00 0.00 H new ATOM 493 N SER A 35 -10.979 4.122 6.813 1.00 0.00 N ATOM 494 CA SER A 35 -12.228 3.500 6.395 1.00 0.00 C ATOM 495 C SER A 35 -12.445 3.620 4.878 1.00 0.00 C ATOM 496 O SER A 35 -13.026 2.714 4.270 1.00 0.00 O ATOM 497 CB SER A 35 -13.372 4.167 7.163 1.00 0.00 C ATOM 498 OG SER A 35 -13.136 4.128 8.554 1.00 0.00 O ATOM 0 H SER A 35 -11.104 4.817 7.549 1.00 0.00 H new ATOM 0 HA SER A 35 -12.193 2.434 6.620 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.479 5.202 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.311 3.662 6.935 1.00 0.00 H new ATOM 0 HG SER A 35 -13.879 4.561 9.024 1.00 0.00 H new ATOM 504 N CYS A 36 -11.990 4.716 4.258 1.00 0.00 N ATOM 505 CA CYS A 36 -12.128 4.932 2.824 1.00 0.00 C ATOM 506 C CYS A 36 -11.264 3.910 2.083 1.00 0.00 C ATOM 507 O CYS A 36 -11.746 3.241 1.163 1.00 0.00 O ATOM 508 CB CYS A 36 -11.738 6.370 2.458 1.00 0.00 C ATOM 509 SG CYS A 36 -12.792 7.528 3.376 1.00 0.00 S ATOM 0 H CYS A 36 -11.515 5.477 4.744 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.168 4.794 2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.689 6.547 2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.852 6.528 1.386 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.614 8.732 2.920 1.00 0.00 H new ATOM 515 N ALA A 37 -9.996 3.786 2.481 1.00 0.00 N ATOM 516 CA ALA A 37 -9.061 2.847 1.881 1.00 0.00 C ATOM 517 C ALA A 37 -9.561 1.415 2.078 1.00 0.00 C ATOM 518 O ALA A 37 -9.515 0.625 1.139 1.00 0.00 O ATOM 519 CB ALA A 37 -7.669 3.038 2.479 1.00 0.00 C ATOM 0 H ALA A 37 -9.591 4.341 3.235 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.994 3.037 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.977 2.330 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.327 4.055 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.708 2.865 3.555 1.00 0.00 H new ATOM 525 N TRP A 38 -10.084 1.076 3.266 1.00 0.00 N ATOM 526 CA TRP A 38 -10.604 -0.261 3.554 1.00 0.00 C ATOM 527 C TRP A 38 -11.650 -0.653 2.516 1.00 0.00 C ATOM 528 O TRP A 38 -11.591 -1.757 1.972 1.00 0.00 O ATOM 529 CB TRP A 38 -11.214 -0.343 4.964 1.00 0.00 C ATOM 530 CG TRP A 38 -10.355 -0.943 6.031 1.00 0.00 C ATOM 531 CD1 TRP A 38 -10.209 -0.452 7.283 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.566 -2.177 5.995 1.00 0.00 C ATOM 533 NE1 TRP A 38 -9.400 -1.292 8.019 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.957 -2.359 7.272 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.297 -3.166 5.019 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -8.112 -3.442 7.553 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.446 -4.253 5.293 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.852 -4.394 6.556 1.00 0.00 C ATOM 0 H TRP A 38 -10.156 1.723 4.051 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.766 -0.957 3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.490 0.665 5.275 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.136 -0.921 4.903 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.658 0.459 7.650 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.159 -1.141 8.999 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.754 -3.085 4.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.664 -3.543 8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.249 -4.985 4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -7.199 -5.230 6.759 1.00 0.00 H new ATOM 549 N LYS A 39 -12.598 0.249 2.242 1.00 0.00 N ATOM 550 CA LYS A 39 -13.651 0.015 1.264 1.00 0.00 C ATOM 551 C LYS A 39 -13.052 -0.219 -0.120 1.00 0.00 C ATOM 552 O LYS A 39 -13.403 -1.212 -0.751 1.00 0.00 O ATOM 553 CB LYS A 39 -14.631 1.195 1.260 1.00 0.00 C ATOM 554 CG LYS A 39 -15.776 0.985 2.258 1.00 0.00 C ATOM 555 CD LYS A 39 -16.687 2.217 2.357 1.00 0.00 C ATOM 556 CE LYS A 39 -17.432 2.481 1.044 1.00 0.00 C ATOM 557 NZ LYS A 39 -17.987 3.844 0.985 1.00 0.00 N ATOM 0 H LYS A 39 -12.652 1.161 2.696 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.203 -0.884 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.097 2.112 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.041 1.324 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.367 0.121 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.363 0.760 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.408 2.072 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.090 3.091 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.752 2.331 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.239 1.757 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.482 3.978 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.656 3.981 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.215 4.537 1.064 1.00 0.00 H new ATOM 571 N GLU A 40 -12.154 0.660 -0.588 1.00 0.00 N ATOM 572 CA GLU A 40 -11.528 0.521 -1.905 1.00 0.00 C ATOM 573 C GLU A 40 -10.840 -0.845 -2.025 1.00 0.00 C ATOM 574 O GLU A 40 -11.063 -1.574 -2.990 1.00 0.00 O ATOM 575 CB GLU A 40 -10.536 1.669 -2.141 1.00 0.00 C ATOM 576 CG GLU A 40 -10.038 1.713 -3.596 1.00 0.00 C ATOM 577 CD GLU A 40 -11.081 2.272 -4.574 1.00 0.00 C ATOM 578 OE1 GLU A 40 -11.707 3.314 -4.272 1.00 0.00 O ATOM 579 OE2 GLU A 40 -11.214 1.733 -5.700 1.00 0.00 O ATOM 0 H GLU A 40 -11.845 1.480 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.298 0.576 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.013 2.617 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.685 1.556 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.137 2.324 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.759 0.707 -3.908 1.00 0.00 H new ATOM 586 N LEU A 41 -10.045 -1.222 -1.018 1.00 0.00 N ATOM 587 CA LEU A 41 -9.334 -2.497 -0.984 1.00 0.00 C ATOM 588 C LEU A 41 -10.347 -3.631 -1.108 1.00 0.00 C ATOM 589 O LEU A 41 -10.163 -4.544 -1.904 1.00 0.00 O ATOM 590 CB LEU A 41 -8.522 -2.625 0.317 1.00 0.00 C ATOM 591 CG LEU A 41 -7.303 -1.684 0.375 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.870 -1.485 1.832 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.127 -2.229 -0.442 1.00 0.00 C ATOM 0 H LEU A 41 -9.878 -0.641 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.633 -2.549 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.174 -2.415 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.182 -3.655 0.424 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.599 -0.729 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.008 -0.819 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.691 -1.046 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.603 -2.448 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.287 -1.538 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.829 -3.200 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.427 -2.337 -1.484 1.00 0.00 H new ATOM 605 N ASN A 42 -11.441 -3.567 -0.346 1.00 0.00 N ATOM 606 CA ASN A 42 -12.500 -4.574 -0.369 1.00 0.00 C ATOM 607 C ASN A 42 -13.204 -4.643 -1.726 1.00 0.00 C ATOM 608 O ASN A 42 -13.880 -5.637 -1.996 1.00 0.00 O ATOM 609 CB ASN A 42 -13.533 -4.303 0.737 1.00 0.00 C ATOM 610 CG ASN A 42 -13.167 -4.988 2.042 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.671 -6.064 2.345 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.313 -4.371 2.839 1.00 0.00 N ATOM 0 H ASN A 42 -11.617 -2.806 0.310 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.022 -5.537 -0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.613 -3.229 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.513 -4.649 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.057 -4.789 3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.910 -3.477 2.560 1.00 0.00 H new ATOM 619 N ARG A 43 -13.116 -3.612 -2.577 1.00 0.00 N ATOM 620 CA ARG A 43 -13.753 -3.618 -3.889 1.00 0.00 C ATOM 621 C ARG A 43 -12.912 -4.349 -4.919 1.00 0.00 C ATOM 622 O ARG A 43 -13.482 -5.074 -5.725 1.00 0.00 O ATOM 623 CB ARG A 43 -14.040 -2.196 -4.398 1.00 0.00 C ATOM 624 CG ARG A 43 -15.124 -1.467 -3.585 1.00 0.00 C ATOM 625 CD ARG A 43 -16.036 -0.602 -4.464 1.00 0.00 C ATOM 626 NE ARG A 43 -16.839 -1.430 -5.375 1.00 0.00 N ATOM 627 CZ ARG A 43 -17.966 -1.072 -5.991 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.581 0.078 -5.740 1.00 0.00 N ATOM 629 NH2 ARG A 43 -18.497 -1.890 -6.884 1.00 0.00 N ATOM 0 H ARG A 43 -12.602 -2.756 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.699 -4.144 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.119 -1.614 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.351 -2.247 -5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.728 -2.201 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -14.648 -0.839 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.696 -0.007 -3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.432 0.097 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.499 -2.375 -5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.192 0.725 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.442 0.314 -6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.045 -2.780 -7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.359 -1.631 -7.364 1.00 0.00 H new ATOM 643 N LYS A 44 -11.588 -4.165 -4.908 1.00 0.00 N ATOM 644 CA LYS A 44 -10.706 -4.807 -5.885 1.00 0.00 C ATOM 645 C LYS A 44 -10.062 -6.095 -5.391 1.00 0.00 C ATOM 646 O LYS A 44 -9.420 -6.777 -6.184 1.00 0.00 O ATOM 647 CB LYS A 44 -9.613 -3.827 -6.348 1.00 0.00 C ATOM 648 CG LYS A 44 -10.114 -2.434 -6.759 1.00 0.00 C ATOM 649 CD LYS A 44 -11.216 -2.486 -7.826 1.00 0.00 C ATOM 650 CE LYS A 44 -11.619 -1.059 -8.197 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.732 -1.047 -9.163 1.00 0.00 N ATOM 0 H LYS A 44 -11.104 -3.575 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.348 -5.084 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.887 -3.711 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.085 -4.269 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.492 -1.915 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.276 -1.849 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.860 -3.018 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.079 -3.035 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.910 -0.516 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.762 -0.536 -8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.579 -0.289 -9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.776 -1.963 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.627 -0.880 -8.660 1.00 0.00 H new ATOM 665 N LEU A 45 -10.210 -6.455 -4.114 1.00 0.00 N ATOM 666 CA LEU A 45 -9.596 -7.658 -3.563 1.00 0.00 C ATOM 667 C LEU A 45 -10.640 -8.577 -2.959 1.00 0.00 C ATOM 668 O LEU A 45 -11.772 -8.182 -2.657 1.00 0.00 O ATOM 669 CB LEU A 45 -8.525 -7.278 -2.523 1.00 0.00 C ATOM 670 CG LEU A 45 -7.417 -6.358 -3.075 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.605 -5.787 -1.908 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.513 -7.102 -4.064 1.00 0.00 C ATOM 0 H LEU A 45 -10.757 -5.921 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.113 -8.201 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.009 -6.783 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.068 -8.189 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.881 -5.538 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.821 -5.136 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.262 -5.214 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.154 -6.604 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.743 -6.425 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.042 -7.947 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.110 -7.464 -4.901 1.00 0.00 H new ATOM 684 N SER A 46 -10.258 -9.836 -2.809 1.00 0.00 N ATOM 685 CA SER A 46 -11.088 -10.880 -2.242 1.00 0.00 C ATOM 686 C SER A 46 -11.064 -10.729 -0.727 1.00 0.00 C ATOM 687 O SER A 46 -10.062 -10.273 -0.174 1.00 0.00 O ATOM 688 CB SER A 46 -10.508 -12.231 -2.654 1.00 0.00 C ATOM 689 OG SER A 46 -10.597 -12.392 -4.056 1.00 0.00 O ATOM 0 H SER A 46 -9.334 -10.166 -3.088 1.00 0.00 H new ATOM 0 HA SER A 46 -12.116 -10.811 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.467 -12.300 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.047 -13.035 -2.153 1.00 0.00 H new ATOM 0 HG SER A 46 -10.221 -13.261 -4.310 1.00 0.00 H new ATOM 695 N SER A 47 -12.136 -11.119 -0.042 1.00 0.00 N ATOM 696 CA SER A 47 -12.210 -11.027 1.410 1.00 0.00 C ATOM 697 C SER A 47 -11.125 -11.900 2.056 1.00 0.00 C ATOM 698 O SER A 47 -10.693 -11.612 3.173 1.00 0.00 O ATOM 699 CB SER A 47 -13.598 -11.437 1.880 1.00 0.00 C ATOM 700 OG SER A 47 -14.602 -10.578 1.345 1.00 0.00 O ATOM 0 H SER A 47 -12.973 -11.506 -0.477 1.00 0.00 H new ATOM 0 HA SER A 47 -12.033 -9.996 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.797 -12.465 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.638 -11.412 2.969 1.00 0.00 H new ATOM 0 HG SER A 47 -15.483 -10.867 1.663 1.00 0.00 H new ATOM 706 N ASN A 48 -10.685 -12.962 1.374 1.00 0.00 N ATOM 707 CA ASN A 48 -9.636 -13.836 1.877 1.00 0.00 C ATOM 708 C ASN A 48 -8.301 -13.110 1.729 1.00 0.00 C ATOM 709 O ASN A 48 -7.651 -12.840 2.734 1.00 0.00 O ATOM 710 CB ASN A 48 -9.628 -15.182 1.145 1.00 0.00 C ATOM 711 CG ASN A 48 -10.640 -16.139 1.744 1.00 0.00 C ATOM 712 OD1 ASN A 48 -11.671 -16.437 1.157 1.00 0.00 O ATOM 713 ND2 ASN A 48 -10.385 -16.625 2.946 1.00 0.00 N ATOM 0 H ASN A 48 -11.049 -13.234 0.461 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.817 -14.062 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.852 -15.026 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.632 -15.622 1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.051 -17.255 3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.522 -16.370 3.427 1.00 0.00 H new ATOM 720 N ALA A 49 -7.911 -12.746 0.498 1.00 0.00 N ATOM 721 CA ALA A 49 -6.646 -12.055 0.252 1.00 0.00 C ATOM 722 C ALA A 49 -6.518 -10.772 1.068 1.00 0.00 C ATOM 723 O ALA A 49 -5.466 -10.545 1.655 1.00 0.00 O ATOM 724 CB ALA A 49 -6.450 -11.701 -1.229 1.00 0.00 C ATOM 0 H ALA A 49 -8.460 -12.922 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.875 -12.761 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.496 -11.190 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.456 -12.614 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.259 -11.048 -1.557 1.00 0.00 H new ATOM 730 N VAL A 50 -7.548 -9.923 1.117 1.00 0.00 N ATOM 731 CA VAL A 50 -7.486 -8.662 1.852 1.00 0.00 C ATOM 732 C VAL A 50 -7.169 -8.877 3.349 1.00 0.00 C ATOM 733 O VAL A 50 -6.555 -8.013 3.975 1.00 0.00 O ATOM 734 CB VAL A 50 -8.751 -7.820 1.561 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.949 -8.190 2.440 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.481 -6.318 1.665 1.00 0.00 C ATOM 0 H VAL A 50 -8.440 -10.090 0.652 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.642 -8.072 1.494 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.014 -8.063 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.799 -7.559 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.210 -9.236 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.692 -8.039 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.398 -5.768 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.139 -6.079 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.713 -6.036 0.945 1.00 0.00 H new ATOM 746 N SER A 51 -7.529 -10.037 3.919 1.00 0.00 N ATOM 747 CA SER A 51 -7.287 -10.369 5.319 1.00 0.00 C ATOM 748 C SER A 51 -5.788 -10.552 5.624 1.00 0.00 C ATOM 749 O SER A 51 -5.418 -10.570 6.803 1.00 0.00 O ATOM 750 CB SER A 51 -8.121 -11.614 5.682 1.00 0.00 C ATOM 751 OG SER A 51 -8.355 -11.742 7.076 1.00 0.00 O ATOM 0 H SER A 51 -8.004 -10.779 3.405 1.00 0.00 H new ATOM 0 HA SER A 51 -7.604 -9.536 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.078 -11.567 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.607 -12.505 5.323 1.00 0.00 H new ATOM 0 HG SER A 51 -8.889 -12.546 7.246 1.00 0.00 H new ATOM 757 N GLN A 52 -4.921 -10.690 4.610 1.00 0.00 N ATOM 758 CA GLN A 52 -3.475 -10.848 4.783 1.00 0.00 C ATOM 759 C GLN A 52 -2.796 -9.527 5.176 1.00 0.00 C ATOM 760 O GLN A 52 -1.675 -9.545 5.685 1.00 0.00 O ATOM 761 CB GLN A 52 -2.841 -11.346 3.471 1.00 0.00 C ATOM 762 CG GLN A 52 -3.134 -12.809 3.112 1.00 0.00 C ATOM 763 CD GLN A 52 -2.421 -13.826 4.000 1.00 0.00 C ATOM 764 OE1 GLN A 52 -1.651 -13.502 4.905 1.00 0.00 O ATOM 765 NE2 GLN A 52 -2.639 -15.108 3.757 1.00 0.00 N ATOM 0 H GLN A 52 -5.213 -10.695 3.633 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.325 -11.571 5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.190 -10.713 2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.761 -11.215 3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.209 -12.979 3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.844 -12.982 2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.275 -15.384 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.171 -15.820 4.317 1.00 0.00 H new ATOM 774 N ILE A 53 -3.454 -8.386 4.946 1.00 0.00 N ATOM 775 CA ILE A 53 -2.902 -7.078 5.268 1.00 0.00 C ATOM 776 C ILE A 53 -2.783 -6.940 6.792 1.00 0.00 C ATOM 777 O ILE A 53 -3.567 -7.524 7.548 1.00 0.00 O ATOM 778 CB ILE A 53 -3.765 -5.972 4.610 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.797 -6.099 3.067 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.201 -4.595 4.970 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.897 -5.269 2.392 1.00 0.00 C ATOM 0 H ILE A 53 -4.385 -8.350 4.531 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.897 -6.967 4.862 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.781 -6.088 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.830 -5.793 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.934 -7.147 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.810 -3.820 4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.215 -4.468 6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.176 -4.516 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.851 -5.413 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.872 -5.589 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.750 -4.214 2.623 1.00 0.00 H new ATOM 793 N THR A 54 -1.826 -6.140 7.256 1.00 0.00 N ATOM 794 CA THR A 54 -1.585 -5.891 8.665 1.00 0.00 C ATOM 795 C THR A 54 -1.164 -4.428 8.866 1.00 0.00 C ATOM 796 O THR A 54 -0.824 -3.726 7.910 1.00 0.00 O ATOM 797 CB THR A 54 -0.550 -6.922 9.149 1.00 0.00 C ATOM 798 OG1 THR A 54 -0.510 -7.014 10.556 1.00 0.00 O ATOM 799 CG2 THR A 54 0.862 -6.642 8.640 1.00 0.00 C ATOM 0 H THR A 54 -1.184 -5.637 6.643 1.00 0.00 H new ATOM 0 HA THR A 54 -2.483 -6.019 9.270 1.00 0.00 H new ATOM 0 HB THR A 54 -0.887 -7.869 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.158 -7.680 10.821 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.543 -7.405 9.017 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.866 -6.659 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.187 -5.662 8.989 1.00 0.00 H new ATOM 807 N ARG A 55 -1.210 -3.981 10.126 1.00 0.00 N ATOM 808 CA ARG A 55 -0.859 -2.645 10.622 1.00 0.00 C ATOM 809 C ARG A 55 -1.208 -1.501 9.655 1.00 0.00 C ATOM 810 O ARG A 55 -0.322 -0.794 9.169 1.00 0.00 O ATOM 811 CB ARG A 55 0.623 -2.641 11.043 1.00 0.00 C ATOM 812 CG ARG A 55 0.900 -3.582 12.227 1.00 0.00 C ATOM 813 CD ARG A 55 2.328 -3.452 12.774 1.00 0.00 C ATOM 814 NE ARG A 55 3.332 -3.769 11.751 1.00 0.00 N ATOM 815 CZ ARG A 55 4.637 -3.982 11.925 1.00 0.00 C ATOM 816 NH1 ARG A 55 5.176 -4.037 13.137 1.00 0.00 N ATOM 817 NH2 ARG A 55 5.405 -4.132 10.857 1.00 0.00 N ATOM 0 H ARG A 55 -1.517 -4.591 10.884 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.482 -2.439 11.493 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.239 -2.938 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.918 -1.627 11.312 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.190 -3.370 13.026 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.729 -4.612 11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.487 -2.437 13.138 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.453 -4.120 13.626 1.00 0.00 H new ATOM 0 HE ARG A 55 2.991 -3.834 10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.589 -3.915 13.962 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.177 -4.201 13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.996 -4.084 9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.406 -4.296 10.967 1.00 0.00 H new ATOM 831 N MET A 56 -2.501 -1.325 9.372 1.00 0.00 N ATOM 832 CA MET A 56 -3.009 -0.283 8.482 1.00 0.00 C ATOM 833 C MET A 56 -2.976 1.063 9.207 1.00 0.00 C ATOM 834 O MET A 56 -3.701 1.242 10.191 1.00 0.00 O ATOM 835 CB MET A 56 -4.435 -0.639 8.039 1.00 0.00 C ATOM 836 CG MET A 56 -4.931 0.254 6.907 1.00 0.00 C ATOM 837 SD MET A 56 -6.728 0.237 6.767 1.00 0.00 S ATOM 838 CE MET A 56 -6.843 0.166 4.972 1.00 0.00 C ATOM 0 H MET A 56 -3.236 -1.914 9.763 1.00 0.00 H new ATOM 0 HA MET A 56 -2.383 -0.211 7.593 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.463 -1.680 7.716 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.110 -0.551 8.890 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.591 1.276 7.076 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.491 -0.077 5.966 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.892 0.148 4.675 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.359 1.043 4.541 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.348 -0.735 4.611 1.00 0.00 H new ATOM 848 N CYS A 57 -2.119 1.983 8.761 1.00 0.00 N ATOM 849 CA CYS A 57 -1.970 3.315 9.333 1.00 0.00 C ATOM 850 C CYS A 57 -2.076 4.407 8.264 1.00 0.00 C ATOM 851 O CYS A 57 -1.846 4.165 7.077 1.00 0.00 O ATOM 852 CB CYS A 57 -0.629 3.392 10.076 1.00 0.00 C ATOM 853 SG CYS A 57 -0.643 2.249 11.492 1.00 0.00 S ATOM 0 H CYS A 57 -1.495 1.814 7.972 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.784 3.490 10.036 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.187 3.138 9.400 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.452 4.411 10.421 1.00 0.00 H new ATOM 0 HG CYS A 57 0.496 2.317 12.116 1.00 0.00 H new ATOM 859 N LEU A 58 -2.433 5.623 8.687 1.00 0.00 N ATOM 860 CA LEU A 58 -2.549 6.779 7.803 1.00 0.00 C ATOM 861 C LEU A 58 -1.134 7.285 7.522 1.00 0.00 C ATOM 862 O LEU A 58 -0.308 7.331 8.443 1.00 0.00 O ATOM 863 CB LEU A 58 -3.334 7.929 8.475 1.00 0.00 C ATOM 864 CG LEU A 58 -4.845 7.709 8.664 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.446 8.796 9.558 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.601 7.698 7.332 1.00 0.00 C ATOM 0 H LEU A 58 -2.651 5.831 9.661 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.075 6.480 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.892 8.118 9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.192 8.832 7.881 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.956 6.732 9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.515 8.619 9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.963 8.772 10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.288 9.772 9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.663 7.540 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.460 8.653 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.219 6.894 6.703 1.00 0.00 H new ATOM 878 N LEU A 59 -0.824 7.616 6.264 1.00 0.00 N ATOM 879 CA LEU A 59 0.498 8.159 5.948 1.00 0.00 C ATOM 880 C LEU A 59 0.516 9.592 6.483 1.00 0.00 C ATOM 881 O LEU A 59 -0.532 10.214 6.685 1.00 0.00 O ATOM 882 CB LEU A 59 0.774 8.188 4.431 1.00 0.00 C ATOM 883 CG LEU A 59 1.312 6.877 3.849 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.203 6.912 2.323 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.775 6.637 4.238 1.00 0.00 C ATOM 0 H LEU A 59 -1.454 7.520 5.467 1.00 0.00 H new ATOM 0 HA LEU A 59 1.265 7.529 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.150 8.447 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.490 8.983 4.222 1.00 0.00 H new ATOM 0 HG LEU A 59 0.713 6.064 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.586 5.979 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.159 7.035 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.787 7.747 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.117 5.697 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.390 7.455 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.860 6.588 5.324 1.00 0.00 H new ATOM 897 N LYS A 60 1.705 10.137 6.690 1.00 0.00 N ATOM 898 CA LYS A 60 1.892 11.492 7.176 1.00 0.00 C ATOM 899 C LYS A 60 1.438 12.470 6.089 1.00 0.00 C ATOM 900 O LYS A 60 2.054 12.480 5.024 1.00 0.00 O ATOM 901 CB LYS A 60 3.382 11.620 7.502 1.00 0.00 C ATOM 902 CG LYS A 60 3.809 12.977 8.061 1.00 0.00 C ATOM 903 CD LYS A 60 5.300 12.880 8.402 1.00 0.00 C ATOM 904 CE LYS A 60 5.864 14.082 9.153 1.00 0.00 C ATOM 905 NZ LYS A 60 5.368 14.160 10.537 1.00 0.00 N ATOM 0 H LYS A 60 2.580 9.641 6.522 1.00 0.00 H new ATOM 0 HA LYS A 60 1.305 11.718 8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.648 10.847 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.955 11.421 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.632 13.766 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.227 13.228 8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.464 11.985 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.862 12.751 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.952 14.024 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.598 14.996 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.779 14.992 11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.331 14.243 10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.643 13.300 11.053 1.00 0.00 H new ATOM 919 N GLY A 61 0.365 13.237 6.312 1.00 0.00 N ATOM 920 CA GLY A 61 -0.144 14.226 5.356 1.00 0.00 C ATOM 921 C GLY A 61 -1.546 13.994 4.777 1.00 0.00 C ATOM 922 O GLY A 61 -1.950 14.745 3.886 1.00 0.00 O ATOM 0 H GLY A 61 -0.181 13.188 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.139 15.200 5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.558 14.283 4.524 1.00 0.00 H new ATOM 926 N ASN A 62 -2.302 13.000 5.256 1.00 0.00 N ATOM 927 CA ASN A 62 -3.673 12.626 4.831 1.00 0.00 C ATOM 928 C ASN A 62 -3.876 12.340 3.322 1.00 0.00 C ATOM 929 O ASN A 62 -4.999 12.099 2.887 1.00 0.00 O ATOM 930 CB ASN A 62 -4.704 13.655 5.321 1.00 0.00 C ATOM 931 CG ASN A 62 -4.948 13.614 6.818 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.157 14.124 7.611 1.00 0.00 O ATOM 933 ND2 ASN A 62 -6.053 13.016 7.221 1.00 0.00 N ATOM 0 H ASN A 62 -1.959 12.391 5.999 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.833 11.662 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.366 14.654 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.648 13.484 4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.272 12.967 8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.688 12.603 6.538 1.00 0.00 H new ATOM 940 N MET A 63 -2.810 12.319 2.524 1.00 0.00 N ATOM 941 CA MET A 63 -2.765 12.089 1.079 1.00 0.00 C ATOM 942 C MET A 63 -2.624 10.598 0.688 1.00 0.00 C ATOM 943 O MET A 63 -2.308 10.290 -0.464 1.00 0.00 O ATOM 944 CB MET A 63 -1.585 12.944 0.552 1.00 0.00 C ATOM 945 CG MET A 63 -1.951 13.974 -0.515 1.00 0.00 C ATOM 946 SD MET A 63 -1.836 13.403 -2.226 1.00 0.00 S ATOM 947 CE MET A 63 -3.545 12.897 -2.461 1.00 0.00 C ATOM 0 H MET A 63 -1.876 12.476 2.903 1.00 0.00 H new ATOM 0 HA MET A 63 -3.712 12.382 0.625 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.130 13.464 1.395 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.827 12.275 0.143 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.971 14.313 -0.332 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.301 14.841 -0.396 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.700 12.611 -3.501 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.765 12.048 -1.814 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.208 13.725 -2.210 1.00 0.00 H new ATOM 957 N GLY A 64 -2.776 9.652 1.621 1.00 0.00 N ATOM 958 CA GLY A 64 -2.650 8.219 1.344 1.00 0.00 C ATOM 959 C GLY A 64 -2.556 7.384 2.619 1.00 0.00 C ATOM 960 O GLY A 64 -2.715 7.908 3.731 1.00 0.00 O ATOM 0 H GLY A 64 -2.991 9.862 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.508 7.888 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.763 8.047 0.734 1.00 0.00 H new ATOM 964 N VAL A 65 -2.298 6.080 2.489 1.00 0.00 N ATOM 965 CA VAL A 65 -2.193 5.162 3.621 1.00 0.00 C ATOM 966 C VAL A 65 -1.037 4.172 3.411 1.00 0.00 C ATOM 967 O VAL A 65 -0.570 3.964 2.285 1.00 0.00 O ATOM 968 CB VAL A 65 -3.559 4.467 3.853 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.648 5.456 4.265 1.00 0.00 C ATOM 970 CG2 VAL A 65 -4.112 3.712 2.635 1.00 0.00 C ATOM 0 H VAL A 65 -2.155 5.630 1.585 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.954 5.716 4.529 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.333 3.755 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.586 4.922 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.359 5.950 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.777 6.202 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.069 3.259 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.250 4.408 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.409 2.933 2.340 1.00 0.00 H new ATOM 980 N CYS A 66 -0.563 3.550 4.495 1.00 0.00 N ATOM 981 CA CYS A 66 0.523 2.569 4.494 1.00 0.00 C ATOM 982 C CYS A 66 0.102 1.357 5.326 1.00 0.00 C ATOM 983 O CYS A 66 -0.562 1.520 6.353 1.00 0.00 O ATOM 984 CB CYS A 66 1.807 3.187 5.061 1.00 0.00 C ATOM 985 SG CYS A 66 1.485 4.019 6.647 1.00 0.00 S ATOM 0 H CYS A 66 -0.938 3.722 5.428 1.00 0.00 H new ATOM 0 HA CYS A 66 0.725 2.255 3.470 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.558 2.410 5.200 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.216 3.902 4.348 1.00 0.00 H new ATOM 0 HG CYS A 66 0.225 3.908 6.947 1.00 0.00 H new ATOM 991 N PHE A 67 0.417 0.151 4.867 1.00 0.00 N ATOM 992 CA PHE A 67 0.114 -1.108 5.539 1.00 0.00 C ATOM 993 C PHE A 67 1.228 -2.089 5.184 1.00 0.00 C ATOM 994 O PHE A 67 2.078 -1.777 4.344 1.00 0.00 O ATOM 995 CB PHE A 67 -1.298 -1.636 5.190 1.00 0.00 C ATOM 996 CG PHE A 67 -1.645 -1.961 3.743 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.956 -2.957 3.021 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.759 -1.343 3.141 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.345 -3.290 1.711 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -3.128 -1.653 1.824 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.432 -2.641 1.110 1.00 0.00 C ATOM 0 H PHE A 67 0.909 0.018 3.983 1.00 0.00 H new ATOM 0 HA PHE A 67 0.085 -0.966 6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.461 -2.541 5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.018 -0.896 5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.122 -3.469 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.336 -0.622 3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.804 -4.049 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.950 -1.130 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.732 -2.899 0.105 1.00 0.00 H new ATOM 1011 N ASP A 68 1.237 -3.273 5.789 1.00 0.00 N ATOM 1012 CA ASP A 68 2.250 -4.289 5.513 1.00 0.00 C ATOM 1013 C ASP A 68 1.535 -5.553 5.036 1.00 0.00 C ATOM 1014 O ASP A 68 0.344 -5.731 5.317 1.00 0.00 O ATOM 1015 CB ASP A 68 3.226 -4.548 6.686 1.00 0.00 C ATOM 1016 CG ASP A 68 3.244 -3.566 7.869 1.00 0.00 C ATOM 1017 OD1 ASP A 68 3.369 -2.327 7.709 1.00 0.00 O ATOM 1018 OD2 ASP A 68 3.195 -4.055 9.020 1.00 0.00 O ATOM 0 H ASP A 68 0.545 -3.556 6.483 1.00 0.00 H new ATOM 0 HA ASP A 68 2.907 -3.919 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.007 -5.539 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.234 -4.585 6.274 1.00 0.00 H new ATOM 1023 N VAL A 69 2.238 -6.420 4.304 1.00 0.00 N ATOM 1024 CA VAL A 69 1.736 -7.676 3.741 1.00 0.00 C ATOM 1025 C VAL A 69 2.873 -8.699 3.652 1.00 0.00 C ATOM 1026 O VAL A 69 4.039 -8.295 3.643 1.00 0.00 O ATOM 1027 CB VAL A 69 1.191 -7.426 2.309 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.022 -6.497 2.320 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.215 -6.849 1.316 1.00 0.00 C ATOM 0 H VAL A 69 3.219 -6.258 4.077 1.00 0.00 H new ATOM 0 HA VAL A 69 0.943 -8.055 4.386 1.00 0.00 H new ATOM 0 HB VAL A 69 0.921 -8.424 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.374 -6.346 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.817 -6.944 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.259 -5.537 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.741 -6.709 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.578 -5.889 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.053 -7.539 1.215 1.00 0.00 H new ATOM 1039 N PRO A 70 2.593 -10.010 3.570 1.00 0.00 N ATOM 1040 CA PRO A 70 3.656 -10.991 3.430 1.00 0.00 C ATOM 1041 C PRO A 70 4.186 -10.897 1.989 1.00 0.00 C ATOM 1042 O PRO A 70 3.413 -10.622 1.065 1.00 0.00 O ATOM 1043 CB PRO A 70 2.999 -12.345 3.696 1.00 0.00 C ATOM 1044 CG PRO A 70 1.543 -12.128 3.298 1.00 0.00 C ATOM 1045 CD PRO A 70 1.285 -10.651 3.587 1.00 0.00 C ATOM 0 HA PRO A 70 4.492 -10.838 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.461 -13.137 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.089 -12.634 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.380 -12.361 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.874 -12.768 3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.626 -10.215 2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.798 -10.521 4.553 1.00 0.00 H new ATOM 1053 N THR A 71 5.471 -11.186 1.773 1.00 0.00 N ATOM 1054 CA THR A 71 6.099 -11.146 0.444 1.00 0.00 C ATOM 1055 C THR A 71 5.398 -12.095 -0.551 1.00 0.00 C ATOM 1056 O THR A 71 5.460 -11.902 -1.763 1.00 0.00 O ATOM 1057 CB THR A 71 7.611 -11.424 0.561 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.909 -12.394 1.556 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.351 -10.143 0.954 1.00 0.00 C ATOM 0 H THR A 71 6.112 -11.457 2.518 1.00 0.00 H new ATOM 0 HA THR A 71 5.978 -10.143 0.035 1.00 0.00 H new ATOM 0 HB THR A 71 7.929 -11.794 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.079 -11.945 2.410 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.418 -10.349 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.185 -9.379 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.977 -9.787 1.914 1.00 0.00 H new ATOM 1067 N THR A 72 4.689 -13.109 -0.056 1.00 0.00 N ATOM 1068 CA THR A 72 3.961 -14.048 -0.885 1.00 0.00 C ATOM 1069 C THR A 72 2.742 -13.386 -1.546 1.00 0.00 C ATOM 1070 O THR A 72 2.439 -13.717 -2.697 1.00 0.00 O ATOM 1071 CB THR A 72 3.564 -15.236 0.010 1.00 0.00 C ATOM 1072 OG1 THR A 72 4.708 -16.051 0.151 1.00 0.00 O ATOM 1073 CG2 THR A 72 2.417 -16.102 -0.500 1.00 0.00 C ATOM 0 H THR A 72 4.608 -13.297 0.943 1.00 0.00 H new ATOM 0 HA THR A 72 4.585 -14.397 -1.708 1.00 0.00 H new ATOM 0 HB THR A 72 3.202 -14.808 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.493 -16.821 0.719 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.225 -16.906 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.520 -15.492 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.685 -16.528 -1.467 1.00 0.00 H new ATOM 1081 N GLU A 73 2.040 -12.480 -0.854 1.00 0.00 N ATOM 1082 CA GLU A 73 0.849 -11.843 -1.402 1.00 0.00 C ATOM 1083 C GLU A 73 1.127 -10.584 -2.214 1.00 0.00 C ATOM 1084 O GLU A 73 0.300 -10.271 -3.072 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.174 -11.549 -0.287 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.578 -12.049 -0.657 1.00 0.00 C ATOM 1087 CD GLU A 73 -1.648 -13.582 -0.721 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -1.147 -14.269 0.199 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.259 -14.124 -1.675 1.00 0.00 O ATOM 0 H GLU A 73 2.282 -12.175 0.089 1.00 0.00 H new ATOM 0 HA GLU A 73 0.432 -12.563 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.150 -12.025 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.208 -10.476 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.297 -11.684 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.868 -11.633 -1.622 1.00 0.00 H new ATOM 1096 N SER A 74 2.244 -9.874 -1.990 1.00 0.00 N ATOM 1097 CA SER A 74 2.558 -8.654 -2.740 1.00 0.00 C ATOM 1098 C SER A 74 2.487 -8.927 -4.245 1.00 0.00 C ATOM 1099 O SER A 74 1.878 -8.154 -4.982 1.00 0.00 O ATOM 1100 CB SER A 74 3.912 -8.066 -2.308 1.00 0.00 C ATOM 1101 OG SER A 74 4.883 -9.073 -2.135 1.00 0.00 O ATOM 0 H SER A 74 2.944 -10.127 -1.293 1.00 0.00 H new ATOM 0 HA SER A 74 1.810 -7.896 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.256 -7.353 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.789 -7.514 -1.376 1.00 0.00 H new ATOM 0 HG SER A 74 5.732 -8.666 -1.862 1.00 0.00 H new ATOM 1107 N GLU A 75 3.009 -10.077 -4.680 1.00 0.00 N ATOM 1108 CA GLU A 75 3.014 -10.506 -6.072 1.00 0.00 C ATOM 1109 C GLU A 75 1.593 -10.577 -6.643 1.00 0.00 C ATOM 1110 O GLU A 75 1.344 -10.130 -7.761 1.00 0.00 O ATOM 1111 CB GLU A 75 3.698 -11.875 -6.182 1.00 0.00 C ATOM 1112 CG GLU A 75 5.197 -11.845 -5.843 1.00 0.00 C ATOM 1113 CD GLU A 75 6.080 -11.172 -6.901 1.00 0.00 C ATOM 1114 OE1 GLU A 75 5.793 -11.262 -8.114 1.00 0.00 O ATOM 1115 OE2 GLU A 75 7.175 -10.678 -6.539 1.00 0.00 O ATOM 0 H GLU A 75 3.450 -10.750 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 75 3.567 -9.771 -6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.197 -12.576 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.571 -12.254 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.331 -11.326 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.543 -12.868 -5.698 1.00 0.00 H new ATOM 1122 N ARG A 76 0.638 -11.184 -5.926 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.736 -11.282 -6.429 1.00 0.00 C ATOM 1124 C ARG A 76 -1.430 -9.932 -6.342 1.00 0.00 C ATOM 1125 O ARG A 76 -2.217 -9.607 -7.223 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.525 -12.390 -5.715 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.068 -13.753 -6.251 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.881 -14.918 -5.685 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.402 -16.197 -6.234 1.00 0.00 N ATOM 1130 CZ ARG A 76 -1.855 -16.851 -7.311 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -2.847 -16.370 -8.057 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -1.264 -17.988 -7.647 1.00 0.00 N ATOM 0 H ARG A 76 0.789 -11.608 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.696 -11.566 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.362 -12.335 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.594 -12.259 -5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.147 -13.755 -7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.016 -13.899 -6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.802 -14.930 -4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.935 -14.784 -5.926 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.631 -16.639 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.283 -15.481 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.171 -16.891 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.486 -18.342 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.587 -18.509 -8.462 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.154 -9.138 -5.311 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.753 -7.820 -5.133 1.00 0.00 C ATOM 1148 C LEU A 77 -1.381 -6.919 -6.301 1.00 0.00 C ATOM 1149 O LEU A 77 -2.246 -6.227 -6.828 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.283 -7.224 -3.795 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.145 -7.773 -2.648 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.388 -7.867 -1.327 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.363 -6.872 -2.464 1.00 0.00 C ATOM 0 H LEU A 77 -0.502 -9.394 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.839 -7.906 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.235 -7.471 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.353 -6.137 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.441 -8.786 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.050 -8.261 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.532 -8.531 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.041 -6.876 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.980 -7.256 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.035 -5.861 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.946 -6.855 -3.385 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.121 -6.970 -6.733 1.00 0.00 N ATOM 1166 CA GLN A 78 0.387 -6.186 -7.849 1.00 0.00 C ATOM 1167 C GLN A 78 -0.407 -6.475 -9.125 1.00 0.00 C ATOM 1168 O GLN A 78 -0.620 -5.559 -9.921 1.00 0.00 O ATOM 1169 CB GLN A 78 1.873 -6.517 -8.047 1.00 0.00 C ATOM 1170 CG GLN A 78 2.730 -5.844 -6.965 1.00 0.00 C ATOM 1171 CD GLN A 78 4.093 -6.499 -6.721 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.399 -7.588 -7.204 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.917 -5.843 -5.922 1.00 0.00 N ATOM 0 H GLN A 78 0.585 -7.570 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 78 0.274 -5.124 -7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.018 -7.597 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.196 -6.184 -9.033 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.889 -4.802 -7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.171 -5.842 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.641 -4.941 -5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.829 -6.239 -5.694 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.837 -7.727 -9.321 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.604 -8.132 -10.489 1.00 0.00 C ATOM 1184 C ALA A 79 -3.106 -7.868 -10.321 1.00 0.00 C ATOM 1185 O ALA A 79 -3.781 -7.611 -11.319 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.368 -9.624 -10.755 1.00 0.00 C ATOM 0 H ALA A 79 -0.658 -8.487 -8.665 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.263 -7.534 -11.334 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.941 -9.933 -11.630 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.307 -9.798 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.688 -10.203 -9.889 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.640 -7.933 -9.097 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.061 -7.718 -8.829 1.00 0.00 C ATOM 1194 C GLU A 80 -5.448 -6.243 -8.712 1.00 0.00 C ATOM 1195 O GLU A 80 -6.628 -5.924 -8.855 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.503 -8.500 -7.573 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.511 -10.005 -7.874 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.291 -10.859 -6.872 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -5.805 -11.058 -5.737 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -7.343 -11.438 -7.243 1.00 0.00 O ATOM 0 H GLU A 80 -3.093 -8.138 -8.261 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.594 -8.101 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.826 -8.289 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.497 -8.177 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.933 -10.160 -8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.481 -10.360 -7.907 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.505 -5.328 -8.483 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.837 -3.918 -8.357 1.00 0.00 C ATOM 1209 C TRP A 81 -5.185 -3.307 -9.717 1.00 0.00 C ATOM 1210 O TRP A 81 -4.296 -2.852 -10.437 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.729 -3.151 -7.616 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.226 -1.880 -6.998 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.876 -0.618 -7.333 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.227 -1.753 -5.946 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.628 0.277 -6.593 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.491 -0.370 -5.729 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.951 -2.684 -5.172 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.454 0.060 -4.799 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.906 -2.263 -4.233 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.162 -0.895 -4.046 1.00 0.00 C ATOM 0 H TRP A 81 -3.513 -5.541 -8.382 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.734 -3.829 -7.744 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.308 -3.789 -6.839 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.922 -2.922 -8.312 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.127 -0.350 -8.064 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.554 1.291 -6.675 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.767 -3.740 -5.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.649 1.114 -4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.447 -2.995 -3.651 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.901 -0.576 -3.326 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.469 -3.274 -10.071 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.986 -2.722 -11.315 1.00 0.00 C ATOM 1233 C HIS A 82 -8.315 -2.011 -11.047 1.00 0.00 C ATOM 1234 O HIS A 82 -8.830 -2.000 -9.926 1.00 0.00 O ATOM 1235 CB HIS A 82 -7.125 -3.840 -12.370 1.00 0.00 C ATOM 1236 CG HIS A 82 -5.900 -3.941 -13.238 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -5.645 -3.181 -14.357 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -4.810 -4.734 -13.016 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -4.418 -3.493 -14.795 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -3.879 -4.456 -14.025 1.00 0.00 N ATOM 0 H HIS A 82 -7.205 -3.647 -9.472 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.290 -1.984 -11.714 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.296 -4.793 -11.870 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.998 -3.646 -12.993 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.689 -5.444 -12.211 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.931 -3.037 -15.644 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.969 -4.898 -14.152 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.857 -1.383 -12.092 1.00 0.00 N ATOM 1249 CA ASP A 83 -10.111 -0.632 -12.153 1.00 0.00 C ATOM 1250 C ASP A 83 -10.243 0.509 -11.128 1.00 0.00 C ATOM 1251 O ASP A 83 -11.300 1.147 -11.066 1.00 0.00 O ATOM 1252 CB ASP A 83 -11.317 -1.602 -12.173 1.00 0.00 C ATOM 1253 CG ASP A 83 -11.576 -2.203 -13.559 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -11.561 -1.444 -14.552 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -11.844 -3.421 -13.656 1.00 0.00 O ATOM 0 H ASP A 83 -8.387 -1.388 -12.997 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.100 -0.089 -13.098 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.141 -2.408 -11.460 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.209 -1.072 -11.840 1.00 0.00 H new ATOM 1260 N SER A 84 -9.222 0.788 -10.314 1.00 0.00 N ATOM 1261 CA SER A 84 -9.216 1.846 -9.325 1.00 0.00 C ATOM 1262 C SER A 84 -8.419 3.016 -9.910 1.00 0.00 C ATOM 1263 O SER A 84 -7.985 2.996 -11.066 1.00 0.00 O ATOM 1264 CB SER A 84 -8.635 1.315 -8.004 1.00 0.00 C ATOM 1265 OG SER A 84 -8.945 2.191 -6.937 1.00 0.00 O ATOM 0 H SER A 84 -8.350 0.259 -10.334 1.00 0.00 H new ATOM 0 HA SER A 84 -10.222 2.197 -9.094 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.037 0.323 -7.796 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.554 1.209 -8.092 1.00 0.00 H new ATOM 0 HG SER A 84 -9.913 2.194 -6.787 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.245 4.046 -9.090 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.522 5.273 -9.404 1.00 0.00 C ATOM 1273 C ASP A 85 -6.458 5.544 -8.323 1.00 0.00 C ATOM 1274 O ASP A 85 -5.846 6.606 -8.319 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.513 6.445 -9.561 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.326 6.416 -10.861 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -10.394 5.755 -10.896 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -8.911 7.068 -11.853 1.00 0.00 O ATOM 0 H ASP A 85 -8.622 4.048 -8.142 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.000 5.163 -10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.201 6.439 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.959 7.382 -9.514 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.267 4.634 -7.357 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.271 4.796 -6.291 1.00 0.00 C ATOM 1285 C TRP A 86 -3.975 4.126 -6.758 1.00 0.00 C ATOM 1286 O TRP A 86 -4.024 2.992 -7.247 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.732 4.140 -4.985 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.960 4.653 -4.286 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -8.211 4.679 -4.798 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -7.098 5.072 -2.891 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -9.113 5.013 -3.809 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.485 5.242 -2.605 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -6.200 5.303 -1.825 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.956 5.563 -1.321 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.660 5.611 -0.529 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -8.035 5.740 -0.275 1.00 0.00 C ATOM 0 H TRP A 86 -6.799 3.766 -7.294 1.00 0.00 H new ATOM 0 HA TRP A 86 -5.126 5.859 -6.096 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.893 3.082 -5.191 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.904 4.205 -4.279 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.466 4.470 -5.826 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.121 5.082 -3.952 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -5.137 5.242 -2.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -10.015 5.673 -1.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.951 5.749 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -8.383 5.974 0.720 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.829 4.789 -6.599 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.531 4.270 -7.018 1.00 0.00 C ATOM 1309 C ILE A 87 -0.978 3.348 -5.922 1.00 0.00 C ATOM 1310 O ILE A 87 -0.963 3.709 -4.743 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.558 5.424 -7.373 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -1.090 6.398 -8.458 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.757 4.823 -7.908 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -2.113 7.439 -7.979 1.00 0.00 C ATOM 0 H ILE A 87 -2.778 5.713 -6.170 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.647 3.681 -7.928 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.426 5.994 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.241 6.925 -8.894 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.544 5.810 -9.256 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.448 5.627 -8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.204 4.187 -7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.550 4.229 -8.798 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.415 8.065 -8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.987 6.930 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.663 8.062 -7.206 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.503 2.162 -6.316 1.00 0.00 N ATOM 1327 CA LEU A 88 0.072 1.126 -5.457 1.00 0.00 C ATOM 1328 C LEU A 88 1.595 1.175 -5.569 1.00 0.00 C ATOM 1329 O LEU A 88 2.125 1.339 -6.667 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.445 -0.244 -5.945 1.00 0.00 C ATOM 1331 CG LEU A 88 0.102 -1.471 -5.184 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.281 -1.393 -3.708 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.480 -2.760 -5.769 1.00 0.00 C ATOM 0 H LEU A 88 -0.511 1.885 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.214 1.283 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.533 -0.249 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.195 -0.352 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 88 1.187 -1.475 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.111 -2.264 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.139 -0.487 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.367 -1.372 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.086 -3.617 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.566 -2.742 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.203 -2.840 -6.820 1.00 0.00 H new ATOM 1345 N SER A 89 2.331 1.165 -4.455 1.00 0.00 N ATOM 1346 CA SER A 89 3.799 1.178 -4.459 1.00 0.00 C ATOM 1347 C SER A 89 4.345 0.240 -3.374 1.00 0.00 C ATOM 1348 O SER A 89 3.619 -0.081 -2.433 1.00 0.00 O ATOM 1349 CB SER A 89 4.294 2.621 -4.372 1.00 0.00 C ATOM 1350 OG SER A 89 3.748 3.356 -5.459 1.00 0.00 O ATOM 0 H SER A 89 1.925 1.148 -3.519 1.00 0.00 H new ATOM 0 HA SER A 89 4.190 0.782 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.992 3.068 -3.424 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.383 2.650 -4.406 1.00 0.00 H new ATOM 0 HG SER A 89 4.057 4.285 -5.414 1.00 0.00 H new ATOM 1356 N VAL A 90 5.608 -0.195 -3.473 1.00 0.00 N ATOM 1357 CA VAL A 90 6.238 -1.110 -2.516 1.00 0.00 C ATOM 1358 C VAL A 90 7.671 -0.643 -2.167 1.00 0.00 C ATOM 1359 O VAL A 90 8.639 -1.036 -2.828 1.00 0.00 O ATOM 1360 CB VAL A 90 6.100 -2.562 -3.037 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.867 -2.890 -4.325 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.439 -3.590 -1.952 1.00 0.00 C ATOM 0 H VAL A 90 6.229 0.084 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 90 5.725 -1.095 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 90 5.045 -2.631 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.697 -3.932 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.517 -2.245 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.933 -2.726 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.330 -4.596 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.466 -3.442 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.762 -3.464 -1.107 1.00 0.00 H new ATOM 1372 N PRO A 91 7.845 0.216 -1.148 1.00 0.00 N ATOM 1373 CA PRO A 91 9.155 0.709 -0.742 1.00 0.00 C ATOM 1374 C PRO A 91 10.037 -0.407 -0.154 1.00 0.00 C ATOM 1375 O PRO A 91 9.663 -1.585 -0.130 1.00 0.00 O ATOM 1376 CB PRO A 91 8.879 1.864 0.231 1.00 0.00 C ATOM 1377 CG PRO A 91 7.455 1.646 0.739 1.00 0.00 C ATOM 1378 CD PRO A 91 6.790 0.760 -0.311 1.00 0.00 C ATOM 0 HA PRO A 91 9.737 1.067 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.593 1.861 1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.973 2.828 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.455 1.166 1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.926 2.593 0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.225 -0.042 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.084 1.336 -0.909 1.00 0.00 H new ATOM 1386 N ALA A 92 11.253 -0.042 0.250 1.00 0.00 N ATOM 1387 CA ALA A 92 12.295 -0.865 0.856 1.00 0.00 C ATOM 1388 C ALA A 92 13.411 0.074 1.275 1.00 0.00 C ATOM 1389 O ALA A 92 13.465 1.193 0.712 1.00 0.00 O ATOM 1390 CB ALA A 92 12.844 -1.897 -0.133 1.00 0.00 C ATOM 0 H ALA A 92 11.560 0.926 0.152 1.00 0.00 H new ATOM 0 HA ALA A 92 11.885 -1.414 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.618 -2.491 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.037 -2.551 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.269 -1.384 -0.996 1.00 0.00 H new TER 1396 ALA A 92