USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 CYS SG : rot -134:sc= -1.15 USER MOD Set 1.2: A 10 CYS SG : rot 50:sc= -0.194 USER MOD Set 1.3: A 12 ASN : amide:sc= -9.83! C(o=-17!,f=-18!) USER MOD Set 1.4: A 54 CYS SG : rot -64:sc= -1.83 USER MOD Set 1.5: A 57 HIS : no HE2:sc= -3.69 K(o=-17,f=-22!) USER MOD Single : A 3 GLN : amide:sc= 0.0103 X(o=0.01,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 6 SER OG : rot 140:sc= -3.88! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= -0.0318 (180deg=-0.665) USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= -0.857 (180deg=-1.94!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0982 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.557 F(o=-1.5,f=-0.56) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 31 SER OG : rot 180:sc= -0.522 USER MOD Single : A 33 CYS SG : rot 180:sc= -0.0072 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= -1.06 (180deg=-1.13) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= -0.332 (180deg=-1.18!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -146:sc= -2.01 USER MOD Single : A 52 SER OG : rot -28:sc= 0.215 USER MOD Single : A 55 SER OG : rot -79:sc= -1.88 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00648 USER MOD Single : A 62 CYS SG : rot -42:sc= 0.375 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.216 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.352 9.929 10.225 1.00 0.00 N ATOM 21 CA VAL A 2 -9.281 8.947 11.308 1.00 0.00 C ATOM 22 C VAL A 2 -8.191 7.905 11.044 1.00 0.00 C ATOM 23 O VAL A 2 -8.176 6.834 11.652 1.00 0.00 O ATOM 24 CB VAL A 2 -10.646 8.251 11.548 1.00 0.00 C ATOM 25 CG1 VAL A 2 -11.777 9.264 11.463 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.881 7.104 10.570 1.00 0.00 C ATOM 0 HA VAL A 2 -9.022 9.495 12.214 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.625 7.824 12.551 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.729 8.761 11.633 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.633 10.035 12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.781 9.723 10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.848 6.645 10.774 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.869 7.488 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.094 6.359 10.687 1.00 0.00 H new ATOM 36 N GLN A 3 -7.280 8.236 10.133 1.00 0.00 N ATOM 37 CA GLN A 3 -6.181 7.357 9.772 1.00 0.00 C ATOM 38 C GLN A 3 -5.154 8.148 8.982 1.00 0.00 C ATOM 39 O GLN A 3 -5.504 8.937 8.108 1.00 0.00 O ATOM 40 CB GLN A 3 -6.689 6.178 8.935 1.00 0.00 C ATOM 41 CG GLN A 3 -5.603 5.362 8.237 1.00 0.00 C ATOM 42 CD GLN A 3 -5.355 4.025 8.909 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.259 3.757 9.400 1.00 0.00 O ATOM 44 NE2 GLN A 3 -6.377 3.177 8.934 1.00 0.00 N ATOM 0 H GLN A 3 -7.286 9.121 9.627 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.725 6.961 10.679 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.261 5.513 9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.377 6.558 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.890 5.195 7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.676 5.935 8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.269 3.440 8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.270 2.262 9.373 1.00 0.00 H new ATOM 53 N SER A 4 -3.897 7.937 9.297 1.00 0.00 N ATOM 54 CA SER A 4 -2.821 8.642 8.614 1.00 0.00 C ATOM 55 C SER A 4 -2.188 7.798 7.518 1.00 0.00 C ATOM 56 O SER A 4 -2.423 6.594 7.409 1.00 0.00 O ATOM 57 CB SER A 4 -1.738 9.088 9.593 1.00 0.00 C ATOM 58 OG SER A 4 -2.017 8.637 10.907 1.00 0.00 O ATOM 0 H SER A 4 -3.588 7.286 10.019 1.00 0.00 H new ATOM 0 HA SER A 4 -3.276 9.520 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.771 8.701 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.664 10.175 9.587 1.00 0.00 H new ATOM 0 HG SER A 4 -1.307 8.935 11.513 1.00 0.00 H new ATOM 64 N CYS A 5 -1.386 8.468 6.710 1.00 0.00 N ATOM 65 CA CYS A 5 -0.686 7.854 5.595 1.00 0.00 C ATOM 66 C CYS A 5 0.704 8.493 5.465 1.00 0.00 C ATOM 67 O CYS A 5 1.002 9.460 6.167 1.00 0.00 O ATOM 68 CB CYS A 5 -1.561 8.019 4.344 1.00 0.00 C ATOM 69 SG CYS A 5 -0.748 8.713 2.888 1.00 0.00 S ATOM 0 H CYS A 5 -1.200 9.466 6.811 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.521 6.787 5.744 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.966 7.043 4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.408 8.656 4.600 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.504 9.633 2.366 1.00 0.00 H new ATOM 74 N SER A 6 1.563 7.951 4.604 1.00 0.00 N ATOM 75 CA SER A 6 2.914 8.491 4.458 1.00 0.00 C ATOM 76 C SER A 6 2.923 9.795 3.671 1.00 0.00 C ATOM 77 O SER A 6 3.635 10.736 4.023 1.00 0.00 O ATOM 78 CB SER A 6 3.825 7.471 3.780 1.00 0.00 C ATOM 79 OG SER A 6 5.176 7.897 3.823 1.00 0.00 O ATOM 0 H SER A 6 1.354 7.152 4.006 1.00 0.00 H new ATOM 0 HA SER A 6 3.288 8.702 5.460 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.728 6.504 4.274 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.515 7.332 2.744 1.00 0.00 H new ATOM 0 HG SER A 6 5.755 7.129 4.009 1.00 0.00 H new ATOM 85 N ALA A 7 2.137 9.838 2.604 1.00 0.00 N ATOM 86 CA ALA A 7 2.052 11.027 1.750 1.00 0.00 C ATOM 87 C ALA A 7 2.073 12.316 2.572 1.00 0.00 C ATOM 88 O ALA A 7 1.409 12.418 3.604 1.00 0.00 O ATOM 89 CB ALA A 7 0.800 10.970 0.887 1.00 0.00 C ATOM 0 H ALA A 7 1.545 9.063 2.304 1.00 0.00 H new ATOM 0 HA ALA A 7 2.930 11.033 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.751 11.859 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.833 10.081 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.081 10.929 1.527 1.00 0.00 H new ATOM 95 N TYR A 8 2.849 13.292 2.111 1.00 0.00 N ATOM 96 CA TYR A 8 2.973 14.572 2.803 1.00 0.00 C ATOM 97 C TYR A 8 1.661 15.351 2.771 1.00 0.00 C ATOM 98 O TYR A 8 1.077 15.561 1.709 1.00 0.00 O ATOM 99 CB TYR A 8 4.087 15.408 2.173 1.00 0.00 C ATOM 100 CG TYR A 8 4.616 16.496 3.079 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.625 16.231 3.997 1.00 0.00 C ATOM 102 CD2 TYR A 8 4.109 17.788 3.015 1.00 0.00 C ATOM 103 CE1 TYR A 8 6.112 17.222 4.827 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.591 18.785 3.841 1.00 0.00 C ATOM 105 CZ TYR A 8 5.592 18.497 4.745 1.00 0.00 C ATOM 106 OH TYR A 8 6.075 19.487 5.570 1.00 0.00 O ATOM 0 H TYR A 8 3.404 13.221 1.258 1.00 0.00 H new ATOM 0 HA TYR A 8 3.221 14.364 3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.909 14.749 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.714 15.861 1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.035 15.234 4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.325 18.017 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.896 17.000 5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.186 19.784 3.779 1.00 0.00 H new ATOM 0 HH TYR A 8 5.604 20.326 5.385 1.00 0.00 H new ATOM 116 N GLY A 9 1.209 15.784 3.947 1.00 0.00 N ATOM 117 CA GLY A 9 -0.026 16.546 4.041 1.00 0.00 C ATOM 118 C GLY A 9 -1.157 15.934 3.246 1.00 0.00 C ATOM 119 O GLY A 9 -1.849 16.622 2.495 1.00 0.00 O ATOM 0 H GLY A 9 1.678 15.620 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.323 16.620 5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.152 17.562 3.687 1.00 0.00 H new ATOM 123 N CYS A 10 -1.336 14.637 3.411 1.00 0.00 N ATOM 124 CA CYS A 10 -2.381 13.911 2.711 1.00 0.00 C ATOM 125 C CYS A 10 -3.759 14.279 3.268 1.00 0.00 C ATOM 126 O CYS A 10 -3.868 14.796 4.379 1.00 0.00 O ATOM 127 CB CYS A 10 -2.125 12.405 2.825 1.00 0.00 C ATOM 128 SG CYS A 10 -3.222 11.402 1.802 1.00 0.00 S ATOM 0 H CYS A 10 -0.766 14.060 4.029 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.366 14.189 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.092 12.199 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.238 12.104 3.867 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.228 11.866 0.588 1.00 0.00 H new ATOM 133 N LYS A 11 -4.808 14.022 2.486 1.00 0.00 N ATOM 134 CA LYS A 11 -6.168 14.339 2.900 1.00 0.00 C ATOM 135 C LYS A 11 -7.016 13.081 3.026 1.00 0.00 C ATOM 136 O LYS A 11 -8.235 13.113 2.859 1.00 0.00 O ATOM 137 CB LYS A 11 -6.813 15.311 1.912 1.00 0.00 C ATOM 138 CG LYS A 11 -8.071 15.971 2.444 1.00 0.00 C ATOM 139 CD LYS A 11 -7.750 17.280 3.141 1.00 0.00 C ATOM 140 CE LYS A 11 -8.937 17.791 3.941 1.00 0.00 C ATOM 141 NZ LYS A 11 -9.667 18.871 3.224 1.00 0.00 N ATOM 0 H LYS A 11 -4.738 13.595 1.562 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.116 14.811 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.090 16.084 1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.054 14.776 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.764 16.153 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.571 15.298 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.896 17.141 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.460 18.026 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.619 16.966 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.591 18.165 4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.469 19.192 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.023 19.670 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.020 18.508 2.316 1.00 0.00 H new ATOM 155 N ASN A 12 -6.353 11.981 3.324 1.00 0.00 N ATOM 156 CA ASN A 12 -7.003 10.693 3.486 1.00 0.00 C ATOM 157 C ASN A 12 -7.920 10.674 4.703 1.00 0.00 C ATOM 158 O ASN A 12 -7.862 11.561 5.554 1.00 0.00 O ATOM 159 CB ASN A 12 -5.932 9.631 3.655 1.00 0.00 C ATOM 160 CG ASN A 12 -5.145 9.840 4.933 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.713 10.030 6.007 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.834 9.812 4.819 1.00 0.00 N ATOM 0 H ASN A 12 -5.343 11.954 3.462 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.613 10.500 2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.395 8.644 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.255 9.655 2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.247 9.951 5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.405 9.651 3.908 1.00 0.00 H new ATOM 169 N ARG A 13 -8.747 9.641 4.783 1.00 0.00 N ATOM 170 CA ARG A 13 -9.666 9.484 5.915 1.00 0.00 C ATOM 171 C ARG A 13 -10.376 8.135 5.880 1.00 0.00 C ATOM 172 O ARG A 13 -11.181 7.871 4.988 1.00 0.00 O ATOM 173 CB ARG A 13 -10.702 10.611 5.934 1.00 0.00 C ATOM 174 CG ARG A 13 -10.943 11.255 4.577 1.00 0.00 C ATOM 175 CD ARG A 13 -12.189 12.128 4.586 1.00 0.00 C ATOM 176 NE ARG A 13 -12.211 13.038 5.728 1.00 0.00 N ATOM 177 CZ ARG A 13 -11.420 14.103 5.843 1.00 0.00 C ATOM 178 NH1 ARG A 13 -10.546 14.396 4.887 1.00 0.00 N ATOM 179 NH2 ARG A 13 -11.502 14.877 6.916 1.00 0.00 N ATOM 0 H ARG A 13 -8.805 8.900 4.085 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.067 9.532 6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.646 10.216 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.376 11.378 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.078 11.857 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.047 10.479 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.234 12.705 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.076 11.494 4.610 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.871 12.847 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.478 13.804 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.943 15.213 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.171 14.657 7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.896 15.693 7.004 1.00 0.00 H new ATOM 193 N TYR A 14 -10.091 7.287 6.870 1.00 0.00 N ATOM 194 CA TYR A 14 -10.723 5.980 6.953 1.00 0.00 C ATOM 195 C TYR A 14 -12.170 6.137 7.405 1.00 0.00 C ATOM 196 O TYR A 14 -12.476 6.049 8.594 1.00 0.00 O ATOM 197 CB TYR A 14 -9.947 5.089 7.925 1.00 0.00 C ATOM 198 CG TYR A 14 -10.387 3.638 7.924 1.00 0.00 C ATOM 199 CD1 TYR A 14 -11.646 3.264 8.384 1.00 0.00 C ATOM 200 CD2 TYR A 14 -9.536 2.638 7.466 1.00 0.00 C ATOM 201 CE1 TYR A 14 -12.041 1.940 8.387 1.00 0.00 C ATOM 202 CE2 TYR A 14 -9.926 1.312 7.467 1.00 0.00 C ATOM 203 CZ TYR A 14 -11.179 0.969 7.927 1.00 0.00 C ATOM 204 OH TYR A 14 -11.570 -0.350 7.928 1.00 0.00 O ATOM 0 H TYR A 14 -9.429 7.486 7.620 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.714 5.509 5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.887 5.136 7.676 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.056 5.489 8.933 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.326 4.022 8.745 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.554 2.902 7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -13.022 1.668 8.749 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.252 0.548 7.109 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.846 -0.906 7.571 1.00 0.00 H new ATOM 214 N ASP A 15 -13.054 6.399 6.449 1.00 0.00 N ATOM 215 CA ASP A 15 -14.469 6.591 6.745 1.00 0.00 C ATOM 216 C ASP A 15 -15.310 5.451 6.184 1.00 0.00 C ATOM 217 O ASP A 15 -14.926 4.802 5.211 1.00 0.00 O ATOM 218 CB ASP A 15 -14.953 7.920 6.172 1.00 0.00 C ATOM 219 CG ASP A 15 -16.299 8.337 6.734 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.552 8.070 7.928 1.00 0.00 O ATOM 221 OD2 ASP A 15 -17.098 8.930 5.981 1.00 0.00 O ATOM 0 H ASP A 15 -12.815 6.483 5.461 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.585 6.601 7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.217 8.695 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.024 7.840 5.087 1.00 0.00 H new ATOM 226 N LYS A 16 -16.464 5.215 6.800 1.00 0.00 N ATOM 227 CA LYS A 16 -17.362 4.154 6.356 1.00 0.00 C ATOM 228 C LYS A 16 -17.819 4.398 4.924 1.00 0.00 C ATOM 229 O LYS A 16 -18.129 3.460 4.188 1.00 0.00 O ATOM 230 CB LYS A 16 -18.580 4.045 7.281 1.00 0.00 C ATOM 231 CG LYS A 16 -19.531 5.232 7.195 1.00 0.00 C ATOM 232 CD LYS A 16 -20.935 4.798 6.802 1.00 0.00 C ATOM 233 CE LYS A 16 -21.998 5.683 7.435 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.599 7.117 7.448 1.00 0.00 N ATOM 0 H LYS A 16 -16.799 5.743 7.606 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.811 3.215 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.128 3.135 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.234 3.943 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.564 5.743 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.154 5.949 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.035 4.829 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.094 3.764 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.934 5.573 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.185 5.350 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.450 7.714 7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.043 7.315 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.024 7.325 6.607 1.00 0.00 H new ATOM 248 N ASP A 17 -17.855 5.664 4.538 1.00 0.00 N ATOM 249 CA ASP A 17 -18.266 6.048 3.199 1.00 0.00 C ATOM 250 C ASP A 17 -17.091 5.959 2.236 1.00 0.00 C ATOM 251 O ASP A 17 -17.157 5.275 1.215 1.00 0.00 O ATOM 252 CB ASP A 17 -18.813 7.474 3.221 1.00 0.00 C ATOM 253 CG ASP A 17 -20.295 7.530 2.904 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.739 6.780 2.009 1.00 0.00 O ATOM 255 OD2 ASP A 17 -21.011 8.322 3.550 1.00 0.00 O ATOM 0 H ASP A 17 -17.602 6.448 5.140 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.045 5.365 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.638 7.912 4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.267 8.081 2.499 1.00 0.00 H new ATOM 260 N LYS A 18 -16.017 6.663 2.574 1.00 0.00 N ATOM 261 CA LYS A 18 -14.817 6.684 1.756 1.00 0.00 C ATOM 262 C LYS A 18 -14.076 5.350 1.830 1.00 0.00 C ATOM 263 O LYS A 18 -13.500 5.012 2.865 1.00 0.00 O ATOM 264 CB LYS A 18 -13.909 7.809 2.242 1.00 0.00 C ATOM 265 CG LYS A 18 -12.781 8.160 1.282 1.00 0.00 C ATOM 266 CD LYS A 18 -13.236 9.154 0.217 1.00 0.00 C ATOM 267 CE LYS A 18 -12.626 10.534 0.424 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.193 10.463 0.824 1.00 0.00 N ATOM 0 H LYS A 18 -15.956 7.231 3.419 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.101 6.852 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.514 8.699 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.478 7.524 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.946 8.582 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.417 7.252 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.960 8.780 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.323 9.232 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.716 11.111 -0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.189 11.067 1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.697 11.315 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.124 10.405 1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.756 9.620 0.400 1.00 0.00 H new ATOM 282 N PRO A 19 -14.082 4.562 0.736 1.00 0.00 N ATOM 283 CA PRO A 19 -13.410 3.256 0.692 1.00 0.00 C ATOM 284 C PRO A 19 -11.895 3.355 0.570 1.00 0.00 C ATOM 285 O PRO A 19 -11.248 2.508 -0.045 1.00 0.00 O ATOM 286 CB PRO A 19 -13.971 2.629 -0.568 1.00 0.00 C ATOM 287 CG PRO A 19 -14.256 3.801 -1.450 1.00 0.00 C ATOM 288 CD PRO A 19 -14.754 4.863 -0.540 1.00 0.00 C ATOM 0 HA PRO A 19 -13.584 2.694 1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.257 1.946 -1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.874 2.054 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.358 4.124 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.999 3.552 -2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.497 5.858 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.839 4.830 -0.440 1.00 0.00 H new ATOM 296 N VAL A 20 -11.352 4.394 1.152 1.00 0.00 N ATOM 297 CA VAL A 20 -9.920 4.645 1.123 1.00 0.00 C ATOM 298 C VAL A 20 -9.164 3.728 2.084 1.00 0.00 C ATOM 299 O VAL A 20 -9.018 4.029 3.268 1.00 0.00 O ATOM 300 CB VAL A 20 -9.622 6.118 1.469 1.00 0.00 C ATOM 301 CG1 VAL A 20 -10.030 6.437 2.900 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.154 6.437 1.237 1.00 0.00 C ATOM 0 H VAL A 20 -11.886 5.097 1.663 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.576 4.433 0.111 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.215 6.748 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.809 7.482 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.099 6.259 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.475 5.798 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.965 7.481 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.538 5.795 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.905 6.264 0.190 1.00 0.00 H new ATOM 312 N SER A 21 -8.680 2.606 1.561 1.00 0.00 N ATOM 313 CA SER A 21 -7.934 1.647 2.369 1.00 0.00 C ATOM 314 C SER A 21 -6.504 2.128 2.600 1.00 0.00 C ATOM 315 O SER A 21 -6.020 3.023 1.908 1.00 0.00 O ATOM 316 CB SER A 21 -7.918 0.276 1.690 1.00 0.00 C ATOM 317 OG SER A 21 -8.024 0.402 0.282 1.00 0.00 O ATOM 0 H SER A 21 -8.791 2.338 0.583 1.00 0.00 H new ATOM 0 HA SER A 21 -8.432 1.560 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.996 -0.248 1.943 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.742 -0.330 2.067 1.00 0.00 H new ATOM 0 HG SER A 21 -8.010 -0.488 -0.128 1.00 0.00 H new ATOM 323 N PHE A 22 -5.833 1.526 3.579 1.00 0.00 N ATOM 324 CA PHE A 22 -4.459 1.892 3.903 1.00 0.00 C ATOM 325 C PHE A 22 -3.550 0.667 3.860 1.00 0.00 C ATOM 326 O PHE A 22 -3.984 -0.451 4.136 1.00 0.00 O ATOM 327 CB PHE A 22 -4.408 2.558 5.279 1.00 0.00 C ATOM 328 CG PHE A 22 -4.902 3.979 5.261 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.218 4.260 4.922 1.00 0.00 C ATOM 330 CD2 PHE A 22 -4.055 5.034 5.568 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.679 5.562 4.892 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.512 6.339 5.538 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.826 6.604 5.201 1.00 0.00 C ATOM 0 H PHE A 22 -6.219 0.783 4.161 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.100 2.602 3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.009 1.979 5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.382 2.540 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.890 3.451 4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.027 4.834 5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.706 5.765 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.842 7.151 5.778 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.185 7.622 5.179 1.00 0.00 H new ATOM 343 N HIS A 23 -2.292 0.885 3.494 1.00 0.00 N ATOM 344 CA HIS A 23 -1.324 -0.205 3.390 1.00 0.00 C ATOM 345 C HIS A 23 -0.008 0.144 4.079 1.00 0.00 C ATOM 346 O HIS A 23 0.343 1.311 4.205 1.00 0.00 O ATOM 347 CB HIS A 23 -1.062 -0.521 1.916 1.00 0.00 C ATOM 348 CG HIS A 23 -2.310 -0.564 1.095 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.164 0.423 0.749 1.00 0.00 N flip ATOM 350 CD2 HIS A 23 -2.812 -1.720 0.535 1.00 0.00 C flip ATOM 351 CE1 HIS A 23 -4.159 -0.145 -0.007 1.00 0.00 C flip ATOM 352 NE2 HIS A 23 -3.923 -1.438 -0.123 1.00 0.00 N flip ATOM 0 H HIS A 23 -1.917 1.805 3.264 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.746 -1.077 3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.389 0.230 1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.552 -1.481 1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.368 -2.701 0.621 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.999 0.381 -0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.500 -2.106 -0.634 1.00 0.00 H new ATOM 361 N LYS A 24 0.722 -0.880 4.505 1.00 0.00 N ATOM 362 CA LYS A 24 2.012 -0.686 5.165 1.00 0.00 C ATOM 363 C LYS A 24 3.143 -0.943 4.176 1.00 0.00 C ATOM 364 O LYS A 24 2.950 -1.641 3.181 1.00 0.00 O ATOM 365 CB LYS A 24 2.145 -1.633 6.359 1.00 0.00 C ATOM 366 CG LYS A 24 3.081 -1.128 7.445 1.00 0.00 C ATOM 367 CD LYS A 24 2.396 -0.116 8.348 1.00 0.00 C ATOM 368 CE LYS A 24 1.929 -0.754 9.646 1.00 0.00 C ATOM 369 NZ LYS A 24 1.743 0.254 10.726 1.00 0.00 N ATOM 0 H LYS A 24 0.444 -1.856 4.406 1.00 0.00 H new ATOM 0 HA LYS A 24 2.072 0.342 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.158 -1.797 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.503 -2.600 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.434 -1.969 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.959 -0.672 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.084 0.700 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.543 0.319 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.990 -1.280 9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.657 -1.499 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.424 -0.222 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.645 0.738 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.029 0.951 10.431 1.00 0.00 H new ATOM 383 N PHE A 25 4.324 -0.391 4.444 1.00 0.00 N ATOM 384 CA PHE A 25 5.453 -0.598 3.549 1.00 0.00 C ATOM 385 C PHE A 25 5.772 -2.086 3.461 1.00 0.00 C ATOM 386 O PHE A 25 5.942 -2.758 4.478 1.00 0.00 O ATOM 387 CB PHE A 25 6.671 0.221 3.981 1.00 0.00 C ATOM 388 CG PHE A 25 6.941 1.360 3.034 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.340 2.595 3.223 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.772 1.186 1.937 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.561 3.634 2.335 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.001 2.223 1.049 1.00 0.00 C ATOM 393 CZ PHE A 25 7.394 3.448 1.247 1.00 0.00 C ATOM 0 H PHE A 25 4.520 0.192 5.258 1.00 0.00 H new ATOM 0 HA PHE A 25 5.181 -0.244 2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.508 0.613 4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.546 -0.427 4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.692 2.748 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.246 0.230 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.083 4.590 2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.654 2.074 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.569 4.258 0.554 1.00 0.00 H new ATOM 403 N PRO A 26 5.800 -2.629 2.233 1.00 0.00 N ATOM 404 CA PRO A 26 6.031 -4.052 1.997 1.00 0.00 C ATOM 405 C PRO A 26 7.504 -4.424 1.854 1.00 0.00 C ATOM 406 O PRO A 26 8.353 -3.573 1.590 1.00 0.00 O ATOM 407 CB PRO A 26 5.285 -4.250 0.686 1.00 0.00 C ATOM 408 CG PRO A 26 5.575 -3.004 -0.068 1.00 0.00 C ATOM 409 CD PRO A 26 5.554 -1.908 0.964 1.00 0.00 C ATOM 0 HA PRO A 26 5.700 -4.678 2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.637 -5.133 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.215 -4.381 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.544 -3.060 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.829 -2.830 -0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.323 -1.160 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.597 -1.386 0.977 1.00 0.00 H new ATOM 417 N LEU A 27 7.791 -5.712 2.035 1.00 0.00 N ATOM 418 CA LEU A 27 9.146 -6.227 1.935 1.00 0.00 C ATOM 419 C LEU A 27 9.310 -7.113 0.703 1.00 0.00 C ATOM 420 O LEU A 27 10.401 -7.216 0.142 1.00 0.00 O ATOM 421 CB LEU A 27 9.516 -7.014 3.195 1.00 0.00 C ATOM 422 CG LEU A 27 8.780 -8.348 3.372 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.772 -9.490 3.527 1.00 0.00 C ATOM 424 CD2 LEU A 27 7.843 -8.290 4.570 1.00 0.00 C ATOM 0 H LEU A 27 7.091 -6.421 2.254 1.00 0.00 H new ATOM 0 HA LEU A 27 9.818 -5.374 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.588 -7.208 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.317 -6.389 4.066 1.00 0.00 H new ATOM 0 HG LEU A 27 8.183 -8.529 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.231 -10.428 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.401 -9.549 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.397 -9.313 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.331 -9.246 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.418 -8.083 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.108 -7.500 4.419 1.00 0.00 H new ATOM 436 N THR A 28 8.219 -7.747 0.282 1.00 0.00 N ATOM 437 CA THR A 28 8.249 -8.616 -0.888 1.00 0.00 C ATOM 438 C THR A 28 8.583 -7.803 -2.130 1.00 0.00 C ATOM 439 O THR A 28 9.171 -8.313 -3.084 1.00 0.00 O ATOM 440 CB THR A 28 6.900 -9.321 -1.066 1.00 0.00 C ATOM 441 OG1 THR A 28 6.101 -9.182 0.096 1.00 0.00 O ATOM 442 CG2 THR A 28 7.035 -10.801 -1.353 1.00 0.00 C ATOM 0 H THR A 28 7.307 -7.675 0.733 1.00 0.00 H new ATOM 0 HA THR A 28 9.019 -9.374 -0.741 1.00 0.00 H new ATOM 0 HB THR A 28 6.433 -8.838 -1.925 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.244 -9.638 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.044 -11.241 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.604 -10.943 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.553 -11.286 -0.526 1.00 0.00 H new ATOM 450 N ARG A 29 8.202 -6.531 -2.097 1.00 0.00 N ATOM 451 CA ARG A 29 8.447 -5.609 -3.188 1.00 0.00 C ATOM 452 C ARG A 29 9.549 -4.627 -2.795 1.00 0.00 C ATOM 453 O ARG A 29 9.277 -3.636 -2.128 1.00 0.00 O ATOM 454 CB ARG A 29 7.144 -4.875 -3.489 1.00 0.00 C ATOM 455 CG ARG A 29 7.274 -3.838 -4.582 1.00 0.00 C ATOM 456 CD ARG A 29 7.016 -2.451 -4.034 1.00 0.00 C ATOM 457 NE ARG A 29 5.649 -2.002 -4.312 1.00 0.00 N ATOM 458 CZ ARG A 29 5.325 -0.888 -4.987 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.249 -0.013 -5.392 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.053 -0.639 -5.237 1.00 0.00 N ATOM 0 H ARG A 29 7.712 -6.113 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 29 8.778 -6.144 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.385 -5.602 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.791 -4.390 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.273 -3.883 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.568 -4.056 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.188 -2.448 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.725 -1.749 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 29 4.884 -2.581 -3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.234 -0.182 -5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.969 0.824 -5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.334 -1.289 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.789 0.203 -5.749 1.00 0.00 H new ATOM 474 N PRO A 30 10.820 -4.921 -3.165 1.00 0.00 N ATOM 475 CA PRO A 30 11.975 -4.086 -2.822 1.00 0.00 C ATOM 476 C PRO A 30 12.372 -3.056 -3.886 1.00 0.00 C ATOM 477 O PRO A 30 12.186 -1.859 -3.687 1.00 0.00 O ATOM 478 CB PRO A 30 13.062 -5.123 -2.644 1.00 0.00 C ATOM 479 CG PRO A 30 12.719 -6.232 -3.594 1.00 0.00 C ATOM 480 CD PRO A 30 11.242 -6.115 -3.916 1.00 0.00 C ATOM 0 HA PRO A 30 11.772 -3.460 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.043 -4.705 -2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.096 -5.484 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.317 -6.157 -4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.938 -7.202 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.073 -5.997 -4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.691 -7.002 -3.602 1.00 0.00 H new ATOM 488 N SER A 31 12.925 -3.504 -5.014 1.00 0.00 N ATOM 489 CA SER A 31 13.329 -2.576 -6.071 1.00 0.00 C ATOM 490 C SER A 31 12.161 -1.681 -6.426 1.00 0.00 C ATOM 491 O SER A 31 12.257 -0.453 -6.407 1.00 0.00 O ATOM 492 CB SER A 31 13.808 -3.339 -7.308 1.00 0.00 C ATOM 493 OG SER A 31 12.712 -3.804 -8.076 1.00 0.00 O ATOM 0 H SER A 31 13.101 -4.488 -5.218 1.00 0.00 H new ATOM 0 HA SER A 31 14.157 -1.966 -5.710 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.435 -2.690 -7.919 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.426 -4.183 -7.002 1.00 0.00 H new ATOM 0 HG SER A 31 13.044 -4.287 -8.862 1.00 0.00 H new ATOM 499 N LEU A 32 11.044 -2.324 -6.688 1.00 0.00 N ATOM 500 CA LEU A 32 9.809 -1.637 -6.993 1.00 0.00 C ATOM 501 C LEU A 32 9.457 -0.722 -5.825 1.00 0.00 C ATOM 502 O LEU A 32 8.905 0.361 -5.998 1.00 0.00 O ATOM 503 CB LEU A 32 8.721 -2.673 -7.194 1.00 0.00 C ATOM 504 CG LEU A 32 7.292 -2.136 -7.345 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.255 -0.805 -8.079 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.440 -3.146 -8.075 1.00 0.00 C ATOM 0 H LEU A 32 10.967 -3.341 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 32 9.910 -1.038 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.963 -3.256 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.741 -3.359 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 32 6.896 -1.970 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.223 -0.464 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.837 -0.068 -7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.678 -0.927 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.426 -2.759 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.861 -3.331 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.416 -4.078 -7.510 1.00 0.00 H new ATOM 518 N CYS A 33 9.794 -1.189 -4.620 1.00 0.00 N ATOM 519 CA CYS A 33 9.532 -0.442 -3.392 1.00 0.00 C ATOM 520 C CYS A 33 10.088 0.970 -3.479 1.00 0.00 C ATOM 521 O CYS A 33 9.530 1.904 -2.909 1.00 0.00 O ATOM 522 CB CYS A 33 10.164 -1.150 -2.203 1.00 0.00 C ATOM 523 SG CYS A 33 9.331 -0.838 -0.628 1.00 0.00 S ATOM 0 H CYS A 33 10.252 -2.088 -4.471 1.00 0.00 H new ATOM 0 HA CYS A 33 8.451 -0.388 -3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.168 -2.223 -2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.205 -0.837 -2.119 1.00 0.00 H new ATOM 0 HG CYS A 33 9.941 -1.484 0.321 1.00 0.00 H new ATOM 529 N LYS A 34 11.184 1.124 -4.208 1.00 0.00 N ATOM 530 CA LYS A 34 11.795 2.427 -4.380 1.00 0.00 C ATOM 531 C LYS A 34 10.726 3.392 -4.860 1.00 0.00 C ATOM 532 O LYS A 34 10.676 4.553 -4.456 1.00 0.00 O ATOM 533 CB LYS A 34 12.955 2.336 -5.390 1.00 0.00 C ATOM 534 CG LYS A 34 13.424 3.686 -5.919 1.00 0.00 C ATOM 535 CD LYS A 34 14.780 3.582 -6.609 1.00 0.00 C ATOM 536 CE LYS A 34 14.803 2.498 -7.679 1.00 0.00 C ATOM 537 NZ LYS A 34 15.181 3.044 -9.012 1.00 0.00 N ATOM 0 H LYS A 34 11.665 0.363 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 34 12.208 2.784 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.797 1.831 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.643 1.716 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.688 4.077 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.489 4.397 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.029 4.542 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.548 3.371 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.509 1.719 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.821 2.030 -7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.185 2.276 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.493 3.770 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.129 3.468 -8.957 1.00 0.00 H new ATOM 551 N GLU A 35 9.845 2.869 -5.702 1.00 0.00 N ATOM 552 CA GLU A 35 8.745 3.627 -6.234 1.00 0.00 C ATOM 553 C GLU A 35 7.902 4.175 -5.105 1.00 0.00 C ATOM 554 O GLU A 35 7.455 5.323 -5.131 1.00 0.00 O ATOM 555 CB GLU A 35 7.887 2.738 -7.132 1.00 0.00 C ATOM 556 CG GLU A 35 8.667 2.141 -8.271 1.00 0.00 C ATOM 557 CD GLU A 35 7.790 1.738 -9.440 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.768 2.415 -9.674 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.129 0.750 -10.124 1.00 0.00 O ATOM 0 H GLU A 35 9.882 1.904 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 35 9.139 4.456 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.452 1.936 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.059 3.323 -7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.410 2.861 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.211 1.267 -7.913 1.00 0.00 H new ATOM 566 N TRP A 36 7.718 3.337 -4.097 1.00 0.00 N ATOM 567 CA TRP A 36 6.943 3.720 -2.929 1.00 0.00 C ATOM 568 C TRP A 36 7.558 4.940 -2.283 1.00 0.00 C ATOM 569 O TRP A 36 6.845 5.807 -1.776 1.00 0.00 O ATOM 570 CB TRP A 36 6.810 2.573 -1.952 1.00 0.00 C ATOM 571 CG TRP A 36 5.540 1.808 -2.116 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.936 1.432 -3.278 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.707 1.346 -1.062 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.779 0.740 -3.002 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.620 0.677 -1.638 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.781 1.431 0.319 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.619 0.097 -0.854 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.784 0.859 1.066 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.730 0.205 0.486 1.00 0.00 C ATOM 0 H TRP A 36 8.094 2.389 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 36 5.932 3.974 -3.249 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.654 1.895 -2.080 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.864 2.962 -0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.310 1.645 -4.269 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.145 0.340 -3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.607 1.937 0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.785 -0.420 -1.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.831 0.926 2.143 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.970 -0.234 1.116 1.00 0.00 H new ATOM 590 N GLU A 37 8.880 5.045 -2.353 1.00 0.00 N ATOM 591 CA GLU A 37 9.552 6.210 -1.807 1.00 0.00 C ATOM 592 C GLU A 37 8.950 7.463 -2.418 1.00 0.00 C ATOM 593 O GLU A 37 8.717 8.464 -1.737 1.00 0.00 O ATOM 594 CB GLU A 37 11.044 6.145 -2.109 1.00 0.00 C ATOM 595 CG GLU A 37 11.712 4.891 -1.578 1.00 0.00 C ATOM 596 CD GLU A 37 13.024 5.178 -0.875 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.164 6.282 -0.308 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.911 4.300 -0.892 1.00 0.00 O ATOM 0 H GLU A 37 9.495 4.350 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 37 9.419 6.232 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.191 6.197 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.533 7.019 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.036 4.390 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.890 4.202 -2.404 1.00 0.00 H new ATOM 605 N ALA A 38 8.668 7.377 -3.710 1.00 0.00 N ATOM 606 CA ALA A 38 8.063 8.482 -4.433 1.00 0.00 C ATOM 607 C ALA A 38 6.694 8.781 -3.855 1.00 0.00 C ATOM 608 O ALA A 38 6.280 9.935 -3.755 1.00 0.00 O ATOM 609 CB ALA A 38 7.964 8.164 -5.917 1.00 0.00 C ATOM 0 H ALA A 38 8.850 6.550 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 38 8.693 9.364 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.508 9.005 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.962 7.985 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.351 7.274 -6.058 1.00 0.00 H new ATOM 615 N ALA A 39 6.011 7.721 -3.446 1.00 0.00 N ATOM 616 CA ALA A 39 4.695 7.839 -2.843 1.00 0.00 C ATOM 617 C ALA A 39 4.740 8.803 -1.669 1.00 0.00 C ATOM 618 O ALA A 39 3.734 9.413 -1.309 1.00 0.00 O ATOM 619 CB ALA A 39 4.207 6.474 -2.377 1.00 0.00 C ATOM 0 H ALA A 39 6.352 6.763 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 39 4.002 8.226 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.220 6.575 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.150 5.798 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.902 6.071 -1.641 1.00 0.00 H new ATOM 625 N VAL A 40 5.918 8.919 -1.066 1.00 0.00 N ATOM 626 CA VAL A 40 6.101 9.788 0.077 1.00 0.00 C ATOM 627 C VAL A 40 6.628 11.155 -0.341 1.00 0.00 C ATOM 628 O VAL A 40 5.975 12.176 -0.124 1.00 0.00 O ATOM 629 CB VAL A 40 7.072 9.144 1.090 1.00 0.00 C ATOM 630 CG1 VAL A 40 7.291 10.036 2.302 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.563 7.775 1.512 1.00 0.00 C ATOM 0 H VAL A 40 6.758 8.419 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 40 5.127 9.926 0.546 1.00 0.00 H new ATOM 0 HB VAL A 40 8.037 9.023 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.980 9.549 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.712 10.989 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.338 10.210 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.258 7.333 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.582 7.879 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.484 7.131 0.637 1.00 0.00 H new ATOM 641 N ARG A 41 7.817 11.173 -0.935 1.00 0.00 N ATOM 642 CA ARG A 41 8.433 12.420 -1.373 1.00 0.00 C ATOM 643 C ARG A 41 8.786 13.304 -0.176 1.00 0.00 C ATOM 644 O ARG A 41 9.061 14.494 -0.330 1.00 0.00 O ATOM 645 CB ARG A 41 7.494 13.169 -2.320 1.00 0.00 C ATOM 646 CG ARG A 41 8.159 14.312 -3.072 1.00 0.00 C ATOM 647 CD ARG A 41 8.530 13.903 -4.489 1.00 0.00 C ATOM 648 NE ARG A 41 9.505 14.814 -5.083 1.00 0.00 N ATOM 649 CZ ARG A 41 9.903 14.750 -6.351 1.00 0.00 C ATOM 650 NH1 ARG A 41 9.411 13.820 -7.161 1.00 0.00 N ATOM 651 NH2 ARG A 41 10.793 15.618 -6.811 1.00 0.00 N ATOM 0 H ARG A 41 8.373 10.339 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 41 9.354 12.177 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.083 12.463 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.655 13.564 -1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.486 15.169 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.054 14.629 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.937 12.892 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.632 13.880 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 41 9.904 15.542 -4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.725 13.151 -6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.719 13.775 -8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.173 16.335 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.098 15.569 -7.783 1.00 0.00 H new ATOM 665 N ARG A 42 8.770 12.714 1.018 1.00 0.00 N ATOM 666 CA ARG A 42 9.079 13.439 2.242 1.00 0.00 C ATOM 667 C ARG A 42 10.576 13.383 2.538 1.00 0.00 C ATOM 668 O ARG A 42 11.313 12.626 1.907 1.00 0.00 O ATOM 669 CB ARG A 42 8.287 12.831 3.404 1.00 0.00 C ATOM 670 CG ARG A 42 8.282 13.670 4.679 1.00 0.00 C ATOM 671 CD ARG A 42 7.376 13.060 5.738 1.00 0.00 C ATOM 672 NE ARG A 42 6.489 14.056 6.336 1.00 0.00 N ATOM 673 CZ ARG A 42 5.649 13.796 7.335 1.00 0.00 C ATOM 674 NH1 ARG A 42 5.579 12.575 7.853 1.00 0.00 N ATOM 675 NH2 ARG A 42 4.877 14.759 7.819 1.00 0.00 N ATOM 0 H ARG A 42 8.544 11.730 1.160 1.00 0.00 H new ATOM 0 HA ARG A 42 8.797 14.484 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.257 12.677 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.700 11.849 3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.297 13.750 5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.947 14.682 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.780 12.265 5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.985 12.602 6.517 1.00 0.00 H new ATOM 0 HE ARG A 42 6.515 15.006 5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.171 11.830 7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.933 12.382 8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.927 15.699 7.426 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.233 14.560 8.585 1.00 0.00 H new ATOM 689 N LYS A 43 11.019 14.186 3.504 1.00 0.00 N ATOM 690 CA LYS A 43 12.429 14.227 3.887 1.00 0.00 C ATOM 691 C LYS A 43 13.010 12.819 4.023 1.00 0.00 C ATOM 692 O LYS A 43 13.829 12.396 3.209 1.00 0.00 O ATOM 693 CB LYS A 43 12.597 14.990 5.203 1.00 0.00 C ATOM 694 CG LYS A 43 12.803 16.486 5.017 1.00 0.00 C ATOM 695 CD LYS A 43 11.781 17.295 5.799 1.00 0.00 C ATOM 696 CE LYS A 43 11.952 17.110 7.298 1.00 0.00 C ATOM 697 NZ LYS A 43 11.180 18.119 8.076 1.00 0.00 N ATOM 0 H LYS A 43 10.421 14.818 4.036 1.00 0.00 H new ATOM 0 HA LYS A 43 12.975 14.744 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.715 14.827 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.448 14.579 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.808 16.758 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.731 16.735 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.882 18.351 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.775 16.993 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.626 16.109 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.009 17.185 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.324 17.957 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.508 19.074 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.168 18.031 7.851 1.00 0.00 H new ATOM 711 N ASN A 44 12.580 12.099 5.057 1.00 0.00 N ATOM 712 CA ASN A 44 13.063 10.742 5.292 1.00 0.00 C ATOM 713 C ASN A 44 11.947 9.835 5.822 1.00 0.00 C ATOM 714 O ASN A 44 11.914 9.527 7.011 1.00 0.00 O ATOM 715 CB ASN A 44 14.225 10.755 6.286 1.00 0.00 C ATOM 716 CG ASN A 44 15.301 11.757 5.910 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.692 11.859 4.747 1.00 0.00 O ATOM 718 ND2 ASN A 44 15.787 12.501 6.897 1.00 0.00 N ATOM 0 H ASN A 44 11.901 12.431 5.742 1.00 0.00 H new ATOM 0 HA ASN A 44 13.406 10.345 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.846 10.990 7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.664 9.759 6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.514 13.191 6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.433 12.383 7.846 1.00 0.00 H new ATOM 725 N PHE A 45 11.042 9.412 4.929 1.00 0.00 N ATOM 726 CA PHE A 45 9.918 8.531 5.281 1.00 0.00 C ATOM 727 C PHE A 45 10.279 7.528 6.381 1.00 0.00 C ATOM 728 O PHE A 45 10.590 6.374 6.100 1.00 0.00 O ATOM 729 CB PHE A 45 9.458 7.762 4.031 1.00 0.00 C ATOM 730 CG PHE A 45 10.524 6.879 3.420 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.854 6.965 3.821 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.191 5.962 2.436 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.819 6.159 3.255 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.155 5.152 1.865 1.00 0.00 C ATOM 735 CZ PHE A 45 12.470 5.250 2.274 1.00 0.00 C ATOM 0 H PHE A 45 11.068 9.670 3.943 1.00 0.00 H new ATOM 0 HA PHE A 45 9.118 9.166 5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.598 7.146 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.121 8.478 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.134 7.673 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.165 5.879 2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.847 6.238 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.879 4.442 1.099 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.224 4.618 1.829 1.00 0.00 H new ATOM 745 N LYS A 46 10.225 7.980 7.631 1.00 0.00 N ATOM 746 CA LYS A 46 10.544 7.131 8.779 1.00 0.00 C ATOM 747 C LYS A 46 9.668 5.873 8.798 1.00 0.00 C ATOM 748 O LYS A 46 8.504 5.927 9.189 1.00 0.00 O ATOM 749 CB LYS A 46 10.352 7.922 10.077 1.00 0.00 C ATOM 750 CG LYS A 46 11.223 7.449 11.233 1.00 0.00 C ATOM 751 CD LYS A 46 12.567 8.161 11.249 1.00 0.00 C ATOM 752 CE LYS A 46 13.498 7.630 10.171 1.00 0.00 C ATOM 753 NZ LYS A 46 13.606 6.145 10.210 1.00 0.00 N ATOM 0 H LYS A 46 9.962 8.934 7.877 1.00 0.00 H new ATOM 0 HA LYS A 46 11.584 6.817 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.565 8.973 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.306 7.859 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.705 7.626 12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.381 6.373 11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.414 9.230 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.033 8.036 12.226 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.134 7.942 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.488 8.069 10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.326 5.831 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.880 5.842 11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.688 5.724 9.963 1.00 0.00 H new ATOM 767 N PRO A 47 10.214 4.722 8.356 1.00 0.00 N ATOM 768 CA PRO A 47 9.482 3.439 8.294 1.00 0.00 C ATOM 769 C PRO A 47 9.061 2.892 9.658 1.00 0.00 C ATOM 770 O PRO A 47 8.452 1.824 9.745 1.00 0.00 O ATOM 771 CB PRO A 47 10.499 2.498 7.645 1.00 0.00 C ATOM 772 CG PRO A 47 11.351 3.420 6.882 1.00 0.00 C ATOM 773 CD PRO A 47 11.577 4.552 7.838 1.00 0.00 C ATOM 0 HA PRO A 47 8.543 3.551 7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.069 1.942 8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.017 1.764 6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.289 2.950 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.862 3.757 5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.292 4.300 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.950 5.448 7.342 1.00 0.00 H new ATOM 781 N THR A 48 9.398 3.607 10.718 1.00 0.00 N ATOM 782 CA THR A 48 9.062 3.175 12.069 1.00 0.00 C ATOM 783 C THR A 48 7.552 3.038 12.236 1.00 0.00 C ATOM 784 O THR A 48 7.052 1.978 12.612 1.00 0.00 O ATOM 785 CB THR A 48 9.611 4.175 13.092 1.00 0.00 C ATOM 786 OG1 THR A 48 9.208 3.826 14.405 1.00 0.00 O ATOM 787 CG2 THR A 48 9.155 5.594 12.833 1.00 0.00 C ATOM 0 H THR A 48 9.905 4.491 10.672 1.00 0.00 H new ATOM 0 HA THR A 48 9.517 2.199 12.239 1.00 0.00 H new ATOM 0 HB THR A 48 10.695 4.130 12.991 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.571 4.476 15.042 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.576 6.255 13.590 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.493 5.910 11.846 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.067 5.640 12.876 1.00 0.00 H new ATOM 795 N LYS A 49 6.833 4.115 11.949 1.00 0.00 N ATOM 796 CA LYS A 49 5.383 4.121 12.063 1.00 0.00 C ATOM 797 C LYS A 49 4.740 4.696 10.803 1.00 0.00 C ATOM 798 O LYS A 49 3.573 4.429 10.517 1.00 0.00 O ATOM 799 CB LYS A 49 4.948 4.933 13.287 1.00 0.00 C ATOM 800 CG LYS A 49 5.847 4.740 14.499 1.00 0.00 C ATOM 801 CD LYS A 49 5.065 4.862 15.796 1.00 0.00 C ATOM 802 CE LYS A 49 4.983 6.306 16.265 1.00 0.00 C ATOM 803 NZ LYS A 49 6.330 6.930 16.390 1.00 0.00 N ATOM 0 H LYS A 49 7.234 4.999 11.634 1.00 0.00 H new ATOM 0 HA LYS A 49 5.050 3.090 12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.931 5.990 13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.929 4.654 13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.321 3.760 14.449 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.646 5.482 14.483 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.059 4.467 15.654 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.540 4.255 16.567 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.381 6.882 15.562 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.474 6.346 17.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.370 7.498 17.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.055 6.186 16.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.506 7.543 15.569 1.00 0.00 H new ATOM 817 N TYR A 50 5.502 5.494 10.054 1.00 0.00 N ATOM 818 CA TYR A 50 4.992 6.104 8.839 1.00 0.00 C ATOM 819 C TYR A 50 4.997 5.123 7.670 1.00 0.00 C ATOM 820 O TYR A 50 4.254 5.307 6.709 1.00 0.00 O ATOM 821 CB TYR A 50 5.800 7.354 8.485 1.00 0.00 C ATOM 822 CG TYR A 50 5.633 8.477 9.484 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.378 8.801 9.987 1.00 0.00 C ATOM 824 CD2 TYR A 50 6.726 9.211 9.925 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.219 9.826 10.900 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.575 10.237 10.838 1.00 0.00 C ATOM 827 CZ TYR A 50 5.320 10.540 11.323 1.00 0.00 C ATOM 828 OH TYR A 50 5.165 11.561 12.232 1.00 0.00 O ATOM 0 H TYR A 50 6.471 5.729 10.272 1.00 0.00 H new ATOM 0 HA TYR A 50 3.958 6.392 9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.855 7.089 8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.498 7.706 7.499 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.514 8.243 9.659 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.710 8.976 9.548 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.237 10.067 11.280 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.435 10.799 11.170 1.00 0.00 H new ATOM 0 HH TYR A 50 6.038 11.962 12.426 1.00 0.00 H new ATOM 838 N SER A 51 5.838 4.085 7.748 1.00 0.00 N ATOM 839 CA SER A 51 5.919 3.088 6.675 1.00 0.00 C ATOM 840 C SER A 51 4.533 2.556 6.289 1.00 0.00 C ATOM 841 O SER A 51 4.116 1.494 6.746 1.00 0.00 O ATOM 842 CB SER A 51 6.826 1.928 7.101 1.00 0.00 C ATOM 843 OG SER A 51 7.943 1.805 6.234 1.00 0.00 O ATOM 0 H SER A 51 6.466 3.915 8.534 1.00 0.00 H new ATOM 0 HA SER A 51 6.343 3.578 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.171 2.089 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.257 0.998 7.099 1.00 0.00 H new ATOM 0 HG SER A 51 8.184 0.859 6.143 1.00 0.00 H new ATOM 849 N SER A 52 3.829 3.305 5.440 1.00 0.00 N ATOM 850 CA SER A 52 2.496 2.924 4.978 1.00 0.00 C ATOM 851 C SER A 52 2.006 3.919 3.940 1.00 0.00 C ATOM 852 O SER A 52 2.454 5.062 3.908 1.00 0.00 O ATOM 853 CB SER A 52 1.508 2.861 6.142 1.00 0.00 C ATOM 854 OG SER A 52 1.515 4.069 6.884 1.00 0.00 O ATOM 0 H SER A 52 4.165 4.188 5.055 1.00 0.00 H new ATOM 0 HA SER A 52 2.561 1.932 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.505 2.670 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.764 2.028 6.796 1.00 0.00 H new ATOM 0 HG SER A 52 2.394 4.495 6.808 1.00 0.00 H new ATOM 860 N ILE A 53 1.102 3.485 3.080 1.00 0.00 N ATOM 861 CA ILE A 53 0.586 4.346 2.039 1.00 0.00 C ATOM 862 C ILE A 53 -0.934 4.212 1.967 1.00 0.00 C ATOM 863 O ILE A 53 -1.483 3.187 2.373 1.00 0.00 O ATOM 864 CB ILE A 53 1.201 3.928 0.687 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.722 3.692 0.809 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.883 4.922 -0.433 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.581 4.938 0.891 1.00 0.00 C ATOM 0 H ILE A 53 0.712 2.542 3.084 1.00 0.00 H new ATOM 0 HA ILE A 53 0.846 5.381 2.260 1.00 0.00 H new ATOM 0 HB ILE A 53 0.734 2.982 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.906 3.088 1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.049 3.105 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.339 4.581 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.197 4.991 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.280 5.903 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.630 4.652 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.438 5.538 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.294 5.521 1.766 1.00 0.00 H new ATOM 879 N CYS A 54 -1.620 5.232 1.455 1.00 0.00 N ATOM 880 CA CYS A 54 -3.068 5.173 1.356 1.00 0.00 C ATOM 881 C CYS A 54 -3.495 5.033 -0.115 1.00 0.00 C ATOM 882 O CYS A 54 -2.724 5.351 -1.020 1.00 0.00 O ATOM 883 CB CYS A 54 -3.694 6.387 2.051 1.00 0.00 C ATOM 884 SG CYS A 54 -3.951 7.829 1.008 1.00 0.00 S ATOM 0 H CYS A 54 -1.200 6.095 1.108 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.439 4.289 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.654 6.088 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.056 6.674 2.887 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.802 8.277 0.597 1.00 0.00 H new ATOM 889 N SER A 55 -4.697 4.500 -0.350 1.00 0.00 N ATOM 890 CA SER A 55 -5.188 4.253 -1.709 1.00 0.00 C ATOM 891 C SER A 55 -5.193 5.497 -2.603 1.00 0.00 C ATOM 892 O SER A 55 -4.961 5.396 -3.806 1.00 0.00 O ATOM 893 CB SER A 55 -6.595 3.664 -1.652 1.00 0.00 C ATOM 894 OG SER A 55 -7.372 4.291 -0.647 1.00 0.00 O ATOM 0 H SER A 55 -5.350 4.230 0.386 1.00 0.00 H new ATOM 0 HA SER A 55 -4.489 3.549 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.082 3.784 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.536 2.594 -1.455 1.00 0.00 H new ATOM 0 HG SER A 55 -7.134 3.921 0.229 1.00 0.00 H new ATOM 900 N GLU A 56 -5.492 6.656 -2.028 1.00 0.00 N ATOM 901 CA GLU A 56 -5.564 7.894 -2.768 1.00 0.00 C ATOM 902 C GLU A 56 -4.441 8.064 -3.799 1.00 0.00 C ATOM 903 O GLU A 56 -4.608 8.782 -4.786 1.00 0.00 O ATOM 904 CB GLU A 56 -5.552 9.045 -1.777 1.00 0.00 C ATOM 905 CG GLU A 56 -6.673 8.966 -0.767 1.00 0.00 C ATOM 906 CD GLU A 56 -7.116 10.332 -0.279 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.245 11.122 0.142 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.333 10.611 -0.317 1.00 0.00 O ATOM 0 H GLU A 56 -5.691 6.756 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.489 7.881 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.597 9.055 -1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.626 9.987 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.523 8.450 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.348 8.368 0.084 1.00 0.00 H new ATOM 915 N HIS A 57 -3.296 7.430 -3.563 1.00 0.00 N ATOM 916 CA HIS A 57 -2.155 7.555 -4.476 1.00 0.00 C ATOM 917 C HIS A 57 -2.012 6.337 -5.387 1.00 0.00 C ATOM 918 O HIS A 57 -1.288 6.384 -6.381 1.00 0.00 O ATOM 919 CB HIS A 57 -0.867 7.766 -3.667 1.00 0.00 C ATOM 920 CG HIS A 57 -1.077 8.644 -2.487 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.640 9.900 -2.564 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.856 8.403 -1.183 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.763 10.391 -1.338 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.296 9.497 -0.475 1.00 0.00 N ATOM 0 H HIS A 57 -3.130 6.829 -2.756 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.334 8.418 -5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.488 6.800 -3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.104 8.204 -4.311 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.917 10.374 -3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.413 7.511 -0.766 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.174 11.357 -1.084 1.00 0.00 H new ATOM 932 N PHE A 58 -2.701 5.253 -5.053 1.00 0.00 N ATOM 933 CA PHE A 58 -2.636 4.039 -5.856 1.00 0.00 C ATOM 934 C PHE A 58 -3.723 4.037 -6.931 1.00 0.00 C ATOM 935 O PHE A 58 -4.742 4.713 -6.790 1.00 0.00 O ATOM 936 CB PHE A 58 -2.792 2.809 -4.965 1.00 0.00 C ATOM 937 CG PHE A 58 -1.532 2.453 -4.238 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.486 1.837 -4.904 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.389 2.742 -2.892 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.678 1.515 -4.240 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.227 2.424 -2.224 1.00 0.00 C ATOM 942 CZ PHE A 58 0.808 1.809 -2.898 1.00 0.00 C ATOM 0 H PHE A 58 -3.308 5.190 -4.236 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.663 4.009 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.585 2.990 -4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.105 1.962 -5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.583 1.606 -5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.197 3.222 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.487 1.033 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.126 2.656 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.719 1.558 -2.376 1.00 0.00 H new ATOM 952 N THR A 59 -3.513 3.266 -7.997 1.00 0.00 N ATOM 953 CA THR A 59 -4.497 3.177 -9.075 1.00 0.00 C ATOM 954 C THR A 59 -5.522 2.085 -8.780 1.00 0.00 C ATOM 955 O THR A 59 -5.188 1.029 -8.244 1.00 0.00 O ATOM 956 CB THR A 59 -3.827 2.890 -10.426 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.867 1.856 -10.297 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.132 4.086 -11.054 1.00 0.00 C ATOM 0 H THR A 59 -2.677 2.698 -8.137 1.00 0.00 H new ATOM 0 HA THR A 59 -4.999 4.143 -9.133 1.00 0.00 H new ATOM 0 HB THR A 59 -4.649 2.603 -11.082 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.451 1.685 -11.168 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.688 3.791 -12.004 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.858 4.881 -11.224 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.351 4.446 -10.384 1.00 0.00 H new ATOM 966 N PRO A 60 -6.786 2.335 -9.144 1.00 0.00 N ATOM 967 CA PRO A 60 -7.887 1.383 -8.941 1.00 0.00 C ATOM 968 C PRO A 60 -7.577 0.006 -9.516 1.00 0.00 C ATOM 969 O PRO A 60 -7.907 -1.019 -8.921 1.00 0.00 O ATOM 970 CB PRO A 60 -9.044 2.021 -9.716 1.00 0.00 C ATOM 971 CG PRO A 60 -8.733 3.464 -9.714 1.00 0.00 C ATOM 972 CD PRO A 60 -7.243 3.569 -9.797 1.00 0.00 C ATOM 0 HA PRO A 60 -8.091 1.216 -7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.107 1.629 -10.731 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.002 1.820 -9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.206 3.966 -10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.107 3.942 -8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.900 3.630 -10.830 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.872 4.457 -9.285 1.00 0.00 H new ATOM 980 N ASP A 61 -6.948 -0.004 -10.686 1.00 0.00 N ATOM 981 CA ASP A 61 -6.600 -1.251 -11.360 1.00 0.00 C ATOM 982 C ASP A 61 -5.703 -2.124 -10.491 1.00 0.00 C ATOM 983 O ASP A 61 -5.725 -3.350 -10.591 1.00 0.00 O ATOM 984 CB ASP A 61 -5.910 -0.959 -12.694 1.00 0.00 C ATOM 985 CG ASP A 61 -5.663 -2.216 -13.503 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.646 -2.900 -13.855 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.484 -2.517 -13.787 1.00 0.00 O ATOM 0 H ASP A 61 -6.668 0.838 -11.189 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.525 -1.796 -11.545 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.524 -0.271 -13.275 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.960 -0.458 -12.507 1.00 0.00 H new ATOM 992 N CYS A 62 -4.914 -1.482 -9.643 1.00 0.00 N ATOM 993 CA CYS A 62 -4.004 -2.189 -8.756 1.00 0.00 C ATOM 994 C CYS A 62 -4.732 -2.725 -7.517 1.00 0.00 C ATOM 995 O CYS A 62 -4.118 -3.354 -6.656 1.00 0.00 O ATOM 996 CB CYS A 62 -2.844 -1.255 -8.371 1.00 0.00 C ATOM 997 SG CYS A 62 -2.777 -0.772 -6.624 1.00 0.00 S ATOM 0 H CYS A 62 -4.886 -0.467 -9.551 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.600 -3.056 -9.278 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.905 -1.744 -8.631 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.911 -0.352 -8.977 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.977 -0.504 -6.202 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.039 -2.474 -7.433 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.832 -2.934 -6.297 1.00 0.00 C ATOM 1005 C PHE A 63 -7.688 -4.139 -6.680 1.00 0.00 C ATOM 1006 O PHE A 63 -8.863 -4.217 -6.320 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.727 -1.802 -5.783 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.030 -0.839 -4.859 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.646 -0.765 -4.816 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.766 -0.005 -4.031 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.009 0.121 -3.969 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.134 0.883 -3.182 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.754 0.946 -3.151 1.00 0.00 C ATOM 0 H PHE A 63 -6.567 -1.957 -8.136 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.146 -3.236 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.122 -1.250 -6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.580 -2.236 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.058 -1.409 -5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.845 -0.050 -4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.930 0.168 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.719 1.528 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.259 1.640 -2.488 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.329 -4.530 -2.810 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.091 -3.851 -3.160 1.00 0.00 C ATOM 1166 C LEU A 72 0.955 -4.856 -3.651 1.00 0.00 C ATOM 1167 O LEU A 72 2.021 -5.004 -3.053 1.00 0.00 O ATOM 1168 CB LEU A 72 0.441 -3.068 -1.959 1.00 0.00 C ATOM 1169 CG LEU A 72 0.910 -3.925 -0.781 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.258 -3.439 -0.269 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -0.122 -3.906 0.336 1.00 0.00 C ATOM 0 HA LEU A 72 -0.297 -3.150 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.273 -2.446 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.341 -2.394 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 72 1.024 -4.952 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.575 -4.061 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.996 -3.504 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.170 -2.404 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.228 -4.521 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.268 -2.882 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.067 -4.302 -0.035 1.00 0.00 H new ATOM 1183 N LYS A 73 0.631 -5.553 -4.737 1.00 0.00 N ATOM 1184 CA LYS A 73 1.525 -6.560 -5.308 1.00 0.00 C ATOM 1185 C LYS A 73 2.512 -5.955 -6.298 1.00 0.00 C ATOM 1186 O LYS A 73 2.587 -4.738 -6.463 1.00 0.00 O ATOM 1187 CB LYS A 73 0.709 -7.655 -5.997 1.00 0.00 C ATOM 1188 CG LYS A 73 1.222 -9.058 -5.713 1.00 0.00 C ATOM 1189 CD LYS A 73 0.179 -9.903 -4.997 1.00 0.00 C ATOM 1190 CE LYS A 73 -0.492 -10.886 -5.944 1.00 0.00 C ATOM 1191 NZ LYS A 73 -1.975 -10.853 -5.817 1.00 0.00 N ATOM 0 H LYS A 73 -0.248 -5.439 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 73 2.100 -6.988 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.329 -7.583 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.719 -7.483 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.501 -9.540 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.124 -9.000 -5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.651 -10.449 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.575 -9.253 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.210 -10.652 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.132 -11.894 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.395 -11.537 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.246 -11.101 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.321 -9.898 -6.040 1.00 0.00 H new ATOM 1205 N GLU A 74 3.274 -6.832 -6.941 1.00 0.00 N ATOM 1206 CA GLU A 74 4.285 -6.431 -7.923 1.00 0.00 C ATOM 1207 C GLU A 74 3.772 -5.326 -8.840 1.00 0.00 C ATOM 1208 O GLU A 74 4.533 -4.471 -9.288 1.00 0.00 O ATOM 1209 CB GLU A 74 4.725 -7.636 -8.755 1.00 0.00 C ATOM 1210 CG GLU A 74 5.937 -7.361 -9.631 1.00 0.00 C ATOM 1211 CD GLU A 74 7.214 -7.203 -8.828 1.00 0.00 C ATOM 1212 OE1 GLU A 74 7.292 -6.255 -8.018 1.00 0.00 O ATOM 1213 OE2 GLU A 74 8.134 -8.028 -9.009 1.00 0.00 O ATOM 0 H GLU A 74 3.212 -7.840 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 74 5.141 -6.040 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.952 -8.466 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.895 -7.953 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.059 -8.177 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.763 -6.455 -10.212 1.00 0.00 H new ATOM 1220 N ASN A 75 2.481 -5.347 -9.110 1.00 0.00 N ATOM 1221 CA ASN A 75 1.867 -4.337 -9.967 1.00 0.00 C ATOM 1222 C ASN A 75 1.770 -3.011 -9.228 1.00 0.00 C ATOM 1223 O ASN A 75 2.046 -1.946 -9.782 1.00 0.00 O ATOM 1224 CB ASN A 75 0.475 -4.790 -10.407 1.00 0.00 C ATOM 1225 CG ASN A 75 0.525 -5.988 -11.334 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.999 -5.893 -12.467 1.00 0.00 O ATOM 1227 ND2 ASN A 75 0.034 -7.126 -10.856 1.00 0.00 N ATOM 0 H ASN A 75 1.833 -6.049 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 75 2.491 -4.206 -10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.118 -5.039 -9.527 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.031 -3.966 -10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.040 -7.967 -11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.349 -7.159 -9.911 1.00 0.00 H new ATOM 1234 N ALA A 76 1.364 -3.105 -7.970 1.00 0.00 N ATOM 1235 CA ALA A 76 1.197 -1.958 -7.091 1.00 0.00 C ATOM 1236 C ALA A 76 2.208 -0.853 -7.346 1.00 0.00 C ATOM 1237 O ALA A 76 3.382 -1.112 -7.605 1.00 0.00 O ATOM 1238 CB ALA A 76 1.259 -2.412 -5.645 1.00 0.00 C ATOM 0 H ALA A 76 1.138 -3.995 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 76 0.219 -1.529 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.134 -1.551 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.463 -3.132 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.225 -2.879 -5.451 1.00 0.00 H new ATOM 1244 N VAL A 77 1.720 0.383 -7.271 1.00 0.00 N ATOM 1245 CA VAL A 77 2.540 1.562 -7.492 1.00 0.00 C ATOM 1246 C VAL A 77 1.732 2.828 -7.161 1.00 0.00 C ATOM 1247 O VAL A 77 0.545 2.907 -7.478 1.00 0.00 O ATOM 1248 CB VAL A 77 3.013 1.607 -8.965 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.223 3.035 -9.458 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.283 0.794 -9.148 1.00 0.00 C ATOM 0 H VAL A 77 0.745 0.591 -7.055 1.00 0.00 H new ATOM 0 HA VAL A 77 3.413 1.517 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 77 2.220 1.165 -9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.555 3.016 -10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.285 3.586 -9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.979 3.524 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.597 0.840 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.070 1.201 -8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.094 -0.243 -8.871 1.00 0.00 H new ATOM 1260 N PRO A 78 2.358 3.836 -6.526 1.00 0.00 N ATOM 1261 CA PRO A 78 1.690 5.090 -6.164 1.00 0.00 C ATOM 1262 C PRO A 78 1.680 6.114 -7.301 1.00 0.00 C ATOM 1263 O PRO A 78 1.783 7.313 -7.054 1.00 0.00 O ATOM 1264 CB PRO A 78 2.536 5.596 -5.014 1.00 0.00 C ATOM 1265 CG PRO A 78 3.916 5.130 -5.331 1.00 0.00 C ATOM 1266 CD PRO A 78 3.771 3.840 -6.100 1.00 0.00 C ATOM 0 HA PRO A 78 0.638 4.936 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.492 6.682 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.191 5.195 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.450 5.875 -5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.491 4.974 -4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.446 3.807 -6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.003 2.976 -5.477 1.00 0.00 H new ATOM 1274 N THR A 79 1.573 5.615 -8.537 1.00 0.00 N ATOM 1275 CA THR A 79 1.557 6.436 -9.761 1.00 0.00 C ATOM 1276 C THR A 79 1.561 7.949 -9.505 1.00 0.00 C ATOM 1277 O THR A 79 2.409 8.664 -10.035 1.00 0.00 O ATOM 1278 CB THR A 79 0.338 6.072 -10.610 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.860 6.439 -9.951 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.252 4.596 -10.932 1.00 0.00 C ATOM 0 H THR A 79 1.494 4.615 -8.722 1.00 0.00 H new ATOM 0 HA THR A 79 2.486 6.210 -10.285 1.00 0.00 H new ATOM 0 HB THR A 79 0.460 6.624 -11.542 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.587 6.503 -10.605 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.635 4.407 -11.536 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.140 4.292 -11.486 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.189 4.025 -10.006 1.00 0.00 H new ATOM 1288 N ILE A 80 0.597 8.435 -8.726 1.00 0.00 N ATOM 1289 CA ILE A 80 0.483 9.856 -8.437 1.00 0.00 C ATOM 1290 C ILE A 80 1.840 10.531 -8.182 1.00 0.00 C ATOM 1291 O ILE A 80 2.065 11.661 -8.618 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.470 10.109 -7.264 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.888 10.023 -7.802 1.00 0.00 C ATOM 1294 CG2 ILE A 80 -0.230 11.473 -6.621 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.937 10.165 -6.744 1.00 0.00 C ATOM 0 H ILE A 80 -0.119 7.859 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 80 0.067 10.313 -9.335 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.299 9.363 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.032 10.801 -8.552 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.019 9.066 -8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.926 11.613 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.793 11.524 -6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.385 12.257 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.925 10.094 -7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.819 9.371 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.832 11.133 -6.255 1.00 0.00 H new ATOM 1307 N PHE A 81 2.737 9.843 -7.474 1.00 0.00 N ATOM 1308 CA PHE A 81 4.050 10.390 -7.169 1.00 0.00 C ATOM 1309 C PHE A 81 5.136 9.751 -8.033 1.00 0.00 C ATOM 1310 O PHE A 81 6.327 9.903 -7.763 1.00 0.00 O ATOM 1311 CB PHE A 81 4.400 10.216 -5.683 1.00 0.00 C ATOM 1312 CG PHE A 81 3.327 10.667 -4.735 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.056 10.123 -4.792 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.595 11.630 -3.776 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.075 10.527 -3.917 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.613 12.041 -2.895 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.351 11.486 -2.967 1.00 0.00 C ATOM 0 H PHE A 81 2.574 8.907 -7.103 1.00 0.00 H new ATOM 0 HA PHE A 81 4.008 11.456 -7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.616 9.164 -5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.313 10.772 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.831 9.371 -5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.582 12.064 -3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.088 10.092 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.832 12.794 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.581 11.803 -2.279 1.00 0.00 H new ATOM 1327 N LEU A 82 4.717 9.040 -9.074 1.00 0.00 N ATOM 1328 CA LEU A 82 5.644 8.380 -9.983 1.00 0.00 C ATOM 1329 C LEU A 82 6.019 9.318 -11.128 1.00 0.00 C ATOM 1330 O LEU A 82 5.422 10.383 -11.285 1.00 0.00 O ATOM 1331 CB LEU A 82 5.004 7.097 -10.525 1.00 0.00 C ATOM 1332 CG LEU A 82 5.930 6.191 -11.350 1.00 0.00 C ATOM 1333 CD1 LEU A 82 7.140 5.778 -10.526 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.172 4.963 -11.835 1.00 0.00 C ATOM 0 H LEU A 82 3.734 8.906 -9.309 1.00 0.00 H new ATOM 0 HA LEU A 82 6.555 8.120 -9.443 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.617 6.522 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.149 7.372 -11.143 1.00 0.00 H new ATOM 0 HG LEU A 82 6.279 6.749 -12.219 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.786 5.136 -11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.693 6.666 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.809 5.235 -9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.840 4.330 -12.418 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.799 4.404 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.333 5.275 -12.457 1.00 0.00 H new