USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 15 HIS :FLIP no HE2:sc= -0.109 F(o=0.59,f=1.1) USER MOD Set 1.2: A 89 THR OG1 : rot 66:sc= 1.26 USER MOD Set 2.1: A 65 ASN : amide:sc= 0 X(o=0.077,f=0.051) USER MOD Set 2.2: A 72 SER OG : rot 21:sc= 0.0768 USER MOD Set 3.1: A 51 THR OG1 : rot 170:sc=-0.00811 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc=0.000731 USER MOD Set 4.1: A 44 ASN : amide:sc= -0.0435 K(o=-2.8,f=-3.9) USER MOD Set 4.2: A 57 GLN : amide:sc= -2.77! C(o=-2.8!,f=-3.9!) USER MOD Set 5.1: A 24 SER OG : rot -27:sc= 0.664 USER MOD Set 5.2: A 27 ASN :FLIP amide:sc= 0.521 F(o=-3!,f=1.2) USER MOD Set 6.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 106 ASN : amide:sc= -0.353 K(o=-0.35,f=-5.9!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 145:sc= -11.1! (180deg=-16.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0372 X(o=0.037,f=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -0.0707 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -98:sc= -1.2! USER MOD Single : A 37 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.29) USER MOD Single : A 39 ASN : amide:sc= -1.83! K(o=-1.8!,f=-2.7) USER MOD Single : A 40 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -13:sc= 0.28! USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 37:sc= 0.588 USER MOD Single : A 59 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.9!) USER MOD Single : A 60 SER OG : rot -170:sc= 0.0118 USER MOD Single : A 69 THR OG1 : rot 72:sc= 0.462 USER MOD Single : A 74 ASN :FLIP amide:sc= -3.3! C(o=-5.5!,f=-3.3!) USER MOD Single : A 77 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.17) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0509 USER MOD Single : A 93 ASN : amide:sc= 0.133 X(o=0.13,f=-0.094) USER MOD Single : A 96 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.041) USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0105) USER MOD Single : A 100 SER OG : rot -27:sc= 0.217 USER MOD Single : A 103 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.1) USER MOD Single : A 105 MET CE :methyl -143:sc= -4.82! (180deg=-6.62!) USER MOD Single : A 113 ASN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.935 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.841 -10.792 2.068 1.00 0.00 N ATOM 2 CA LYS A 1 -5.710 -11.412 1.331 1.00 0.00 C ATOM 3 C LYS A 1 -4.714 -10.356 0.861 1.00 0.00 C ATOM 4 O LYS A 1 -4.877 -9.768 -0.206 1.00 0.00 O ATOM 5 CB LYS A 1 -6.270 -12.181 0.134 1.00 0.00 C ATOM 6 CG LYS A 1 -6.236 -13.690 0.309 1.00 0.00 C ATOM 7 CD LYS A 1 -7.177 -14.385 -0.660 1.00 0.00 C ATOM 8 CE LYS A 1 -6.478 -14.727 -1.967 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.138 -15.862 -2.670 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.503 -11.533 2.376 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.477 -10.285 2.900 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.336 -10.123 1.445 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.178 -12.091 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.299 -11.867 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.701 -11.914 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.220 -14.052 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.513 -13.945 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.563 -15.296 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.034 -13.742 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.474 -13.851 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.437 -14.980 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.631 -16.064 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.120 -16.705 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.124 -15.611 -2.885 1.00 0.00 H new ATOM 25 N VAL A 2 -3.682 -10.123 1.666 1.00 0.00 N ATOM 26 CA VAL A 2 -2.658 -9.138 1.337 1.00 0.00 C ATOM 27 C VAL A 2 -1.529 -9.770 0.525 1.00 0.00 C ATOM 28 O VAL A 2 -1.204 -10.943 0.707 1.00 0.00 O ATOM 29 CB VAL A 2 -2.070 -8.497 2.616 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.837 -7.667 2.298 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.114 -7.638 3.312 1.00 0.00 C ATOM 0 H VAL A 2 -3.533 -10.604 2.553 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.137 -8.363 0.739 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.774 -9.304 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.446 -7.229 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.076 -8.304 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.103 -6.872 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.682 -7.196 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.441 -6.846 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.969 -8.256 3.588 1.00 0.00 H new ATOM 41 N PHE A 3 -0.919 -8.975 -0.353 1.00 0.00 N ATOM 42 CA PHE A 3 0.190 -9.438 -1.172 1.00 0.00 C ATOM 43 C PHE A 3 1.393 -9.785 -0.305 1.00 0.00 C ATOM 44 O PHE A 3 1.471 -9.402 0.862 1.00 0.00 O ATOM 45 CB PHE A 3 0.609 -8.347 -2.161 1.00 0.00 C ATOM 46 CG PHE A 3 -0.130 -8.369 -3.462 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.309 -9.160 -4.510 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.254 -7.584 -3.644 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.361 -9.168 -5.716 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.931 -7.588 -4.845 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.484 -8.381 -5.884 1.00 0.00 C ATOM 0 H PHE A 3 -1.179 -8.002 -0.513 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.143 -10.326 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.463 -7.374 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.676 -8.447 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.186 -9.778 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.606 -6.960 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.008 -9.788 -6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.809 -6.972 -4.973 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.012 -8.386 -6.826 1.00 0.00 H new ATOM 61 N GLY A 4 2.337 -10.490 -0.904 1.00 0.00 N ATOM 62 CA GLY A 4 3.549 -10.865 -0.205 1.00 0.00 C ATOM 63 C GLY A 4 4.636 -9.831 -0.397 1.00 0.00 C ATOM 64 O GLY A 4 4.634 -9.107 -1.393 1.00 0.00 O ATOM 0 H GLY A 4 2.286 -10.813 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.337 -10.980 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.896 -11.832 -0.568 1.00 0.00 H new ATOM 68 N ARG A 5 5.563 -9.747 0.549 1.00 0.00 N ATOM 69 CA ARG A 5 6.648 -8.777 0.457 1.00 0.00 C ATOM 70 C ARG A 5 7.367 -8.900 -0.874 1.00 0.00 C ATOM 71 O ARG A 5 7.347 -7.974 -1.685 1.00 0.00 O ATOM 72 CB ARG A 5 7.634 -8.959 1.612 1.00 0.00 C ATOM 73 CG ARG A 5 7.653 -7.793 2.587 1.00 0.00 C ATOM 74 CD ARG A 5 8.814 -7.900 3.562 1.00 0.00 C ATOM 75 NE ARG A 5 8.396 -8.445 4.851 1.00 0.00 N ATOM 76 CZ ARG A 5 8.732 -7.909 6.021 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.488 -6.820 6.064 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.312 -8.464 7.150 1.00 0.00 N ATOM 0 H ARG A 5 5.586 -10.334 1.383 1.00 0.00 H new ATOM 0 HA ARG A 5 6.216 -7.779 0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.381 -9.870 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.636 -9.097 1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.726 -6.856 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.714 -7.764 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.590 -8.535 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.255 -6.914 3.711 1.00 0.00 H new ATOM 0 HE ARG A 5 7.814 -9.283 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.814 -6.391 5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.744 -6.412 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.731 -9.302 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.570 -8.053 8.047 1.00 0.00 H new ATOM 92 N CYS A 6 7.996 -10.042 -1.106 1.00 0.00 N ATOM 93 CA CYS A 6 8.703 -10.257 -2.353 1.00 0.00 C ATOM 94 C CYS A 6 7.747 -10.699 -3.446 1.00 0.00 C ATOM 95 O CYS A 6 7.918 -10.333 -4.602 1.00 0.00 O ATOM 96 CB CYS A 6 9.818 -11.277 -2.186 1.00 0.00 C ATOM 97 SG CYS A 6 10.585 -11.273 -0.536 1.00 0.00 S ATOM 0 H CYS A 6 8.030 -10.825 -0.453 1.00 0.00 H new ATOM 0 HA CYS A 6 9.151 -9.307 -2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.420 -12.271 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.588 -11.084 -2.933 1.00 0.00 H new ATOM 102 N GLU A 7 6.729 -11.476 -3.078 1.00 0.00 N ATOM 103 CA GLU A 7 5.749 -11.927 -4.056 1.00 0.00 C ATOM 104 C GLU A 7 5.317 -10.736 -4.891 1.00 0.00 C ATOM 105 O GLU A 7 5.370 -10.761 -6.124 1.00 0.00 O ATOM 106 CB GLU A 7 4.541 -12.562 -3.363 1.00 0.00 C ATOM 107 CG GLU A 7 4.287 -14.001 -3.780 1.00 0.00 C ATOM 108 CD GLU A 7 4.076 -14.922 -2.595 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.129 -14.682 -1.817 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.859 -15.885 -2.444 1.00 0.00 O ATOM 0 H GLU A 7 6.565 -11.800 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 7 6.197 -12.686 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.692 -12.526 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.654 -11.967 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.410 -14.039 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.132 -14.359 -4.368 1.00 0.00 H new ATOM 117 N LEU A 8 4.927 -9.674 -4.198 1.00 0.00 N ATOM 118 CA LEU A 8 4.526 -8.450 -4.857 1.00 0.00 C ATOM 119 C LEU A 8 5.709 -7.843 -5.595 1.00 0.00 C ATOM 120 O LEU A 8 5.555 -7.381 -6.720 1.00 0.00 O ATOM 121 CB LEU A 8 3.973 -7.435 -3.851 1.00 0.00 C ATOM 122 CG LEU A 8 4.200 -5.965 -4.230 1.00 0.00 C ATOM 123 CD1 LEU A 8 3.254 -5.542 -5.343 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.032 -5.065 -3.018 1.00 0.00 C ATOM 0 H LEU A 8 4.882 -9.641 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 8 3.738 -8.695 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.903 -7.605 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.432 -7.620 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 8 5.223 -5.864 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.433 -4.497 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.427 -6.162 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.223 -5.664 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.197 -4.028 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.023 -5.174 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.755 -5.347 -2.253 1.00 0.00 H new ATOM 136 N ALA A 9 6.894 -7.851 -4.964 1.00 0.00 N ATOM 137 CA ALA A 9 8.084 -7.285 -5.592 1.00 0.00 C ATOM 138 C ALA A 9 8.355 -7.926 -6.944 1.00 0.00 C ATOM 139 O ALA A 9 8.489 -7.230 -7.947 1.00 0.00 O ATOM 140 CB ALA A 9 9.291 -7.425 -4.683 1.00 0.00 C ATOM 0 H ALA A 9 7.047 -8.239 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 9 7.898 -6.224 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.166 -6.996 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.104 -6.899 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.471 -8.480 -4.477 1.00 0.00 H new ATOM 146 N ALA A 10 8.425 -9.254 -6.973 1.00 0.00 N ATOM 147 CA ALA A 10 8.662 -9.971 -8.213 1.00 0.00 C ATOM 148 C ALA A 10 7.690 -9.485 -9.274 1.00 0.00 C ATOM 149 O ALA A 10 8.062 -9.285 -10.431 1.00 0.00 O ATOM 150 CB ALA A 10 8.519 -11.470 -8.000 1.00 0.00 C ATOM 0 H ALA A 10 8.321 -9.850 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 10 9.681 -9.776 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.700 -11.990 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.243 -11.803 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.511 -11.693 -7.650 1.00 0.00 H new ATOM 156 N ALA A 11 6.442 -9.277 -8.861 1.00 0.00 N ATOM 157 CA ALA A 11 5.420 -8.791 -9.774 1.00 0.00 C ATOM 158 C ALA A 11 5.735 -7.379 -10.220 1.00 0.00 C ATOM 159 O ALA A 11 5.544 -7.015 -11.380 1.00 0.00 O ATOM 160 CB ALA A 11 4.043 -8.864 -9.131 1.00 0.00 C ATOM 0 H ALA A 11 6.119 -9.437 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 11 5.413 -9.433 -10.655 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.294 -8.495 -9.832 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.818 -9.898 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.029 -8.251 -8.230 1.00 0.00 H new ATOM 166 N MET A 12 6.222 -6.602 -9.282 1.00 0.00 N ATOM 167 CA MET A 12 6.589 -5.210 -9.538 1.00 0.00 C ATOM 168 C MET A 12 7.666 -5.132 -10.609 1.00 0.00 C ATOM 169 O MET A 12 7.538 -4.388 -11.580 1.00 0.00 O ATOM 170 CB MET A 12 7.103 -4.539 -8.265 1.00 0.00 C ATOM 171 CG MET A 12 6.256 -4.811 -7.036 1.00 0.00 C ATOM 172 SD MET A 12 6.447 -3.549 -5.766 1.00 0.00 S ATOM 173 CE MET A 12 6.071 -2.082 -6.714 1.00 0.00 C ATOM 0 H MET A 12 6.378 -6.905 -8.321 1.00 0.00 H new ATOM 0 HA MET A 12 5.695 -4.690 -9.881 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.121 -4.878 -8.074 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.151 -3.462 -8.429 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.208 -4.870 -7.328 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.527 -5.782 -6.621 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.548 -1.365 -6.082 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.997 -1.637 -7.078 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.439 -2.348 -7.561 1.00 0.00 H new ATOM 183 N LYS A 13 8.726 -5.915 -10.424 1.00 0.00 N ATOM 184 CA LYS A 13 9.827 -5.944 -11.375 1.00 0.00 C ATOM 185 C LYS A 13 9.289 -6.216 -12.768 1.00 0.00 C ATOM 186 O LYS A 13 9.703 -5.589 -13.744 1.00 0.00 O ATOM 187 CB LYS A 13 10.847 -7.015 -10.984 1.00 0.00 C ATOM 188 CG LYS A 13 12.285 -6.525 -11.014 1.00 0.00 C ATOM 189 CD LYS A 13 13.140 -7.364 -11.950 1.00 0.00 C ATOM 190 CE LYS A 13 13.807 -8.515 -11.214 1.00 0.00 C ATOM 191 NZ LYS A 13 13.737 -9.785 -11.988 1.00 0.00 N ATOM 0 H LYS A 13 8.843 -6.536 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 13 10.328 -4.976 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.616 -7.376 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.747 -7.864 -11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.309 -5.483 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.703 -6.560 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.521 -7.757 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.902 -6.735 -12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.850 -8.266 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.327 -8.653 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.203 -10.545 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.741 -10.037 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.218 -9.662 -12.902 1.00 0.00 H new ATOM 205 N ARG A 14 8.350 -7.151 -12.847 1.00 0.00 N ATOM 206 CA ARG A 14 7.736 -7.505 -14.112 1.00 0.00 C ATOM 207 C ARG A 14 6.906 -6.339 -14.624 1.00 0.00 C ATOM 208 O ARG A 14 6.866 -6.072 -15.825 1.00 0.00 O ATOM 209 CB ARG A 14 6.858 -8.747 -13.954 1.00 0.00 C ATOM 210 CG ARG A 14 6.496 -9.408 -15.273 1.00 0.00 C ATOM 211 CD ARG A 14 5.587 -10.610 -15.064 1.00 0.00 C ATOM 212 NE ARG A 14 4.325 -10.474 -15.786 1.00 0.00 N ATOM 213 CZ ARG A 14 3.424 -11.447 -15.885 1.00 0.00 C ATOM 214 NH1 ARG A 14 3.646 -12.622 -15.311 1.00 0.00 N ATOM 215 NH2 ARG A 14 2.300 -11.244 -16.559 1.00 0.00 N ATOM 0 H ARG A 14 7.999 -7.676 -12.046 1.00 0.00 H new ATOM 0 HA ARG A 14 8.522 -7.730 -14.833 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.377 -9.471 -13.325 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.942 -8.470 -13.433 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.000 -8.684 -15.920 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.405 -9.723 -15.785 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.099 -11.513 -15.396 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.385 -10.731 -14.000 1.00 0.00 H new ATOM 0 HE ARG A 14 4.123 -9.583 -16.240 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.510 -12.781 -14.792 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.953 -13.367 -15.389 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.127 -10.341 -17.002 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.609 -11.990 -16.635 1.00 0.00 H new ATOM 229 N HIS A 15 6.219 -5.662 -13.707 1.00 0.00 N ATOM 230 CA HIS A 15 5.360 -4.546 -14.061 1.00 0.00 C ATOM 231 C HIS A 15 6.159 -3.284 -14.359 1.00 0.00 C ATOM 232 O HIS A 15 5.597 -2.296 -14.830 1.00 0.00 O ATOM 233 CB HIS A 15 4.378 -4.267 -12.924 1.00 0.00 C ATOM 234 CG HIS A 15 3.284 -5.282 -12.801 1.00 0.00 C ATOM 235 ND1 HIS A 15 3.090 -6.464 -13.435 1.00 0.00 N flip ATOM 236 CD2 HIS A 15 2.221 -5.134 -11.937 1.00 0.00 C flip ATOM 237 CE1 HIS A 15 1.925 -7.000 -12.945 1.00 0.00 C flip ATOM 238 NE2 HIS A 15 1.421 -6.179 -12.042 1.00 0.00 N flip ATOM 0 H HIS A 15 6.244 -5.872 -12.709 1.00 0.00 H new ATOM 0 HA HIS A 15 4.819 -4.823 -14.966 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.929 -4.226 -11.984 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.932 -3.284 -13.076 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.696 -6.878 -14.143 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.066 -4.294 -11.276 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.491 -7.941 -13.249 1.00 0.00 H new ATOM 247 N GLY A 16 7.471 -3.315 -14.135 1.00 0.00 N ATOM 248 CA GLY A 16 8.292 -2.164 -14.448 1.00 0.00 C ATOM 249 C GLY A 16 8.313 -1.076 -13.390 1.00 0.00 C ATOM 250 O GLY A 16 8.617 0.071 -13.714 1.00 0.00 O ATOM 0 H GLY A 16 7.974 -4.112 -13.745 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.314 -2.503 -14.618 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.940 -1.731 -15.384 1.00 0.00 H new ATOM 254 N LEU A 17 8.001 -1.389 -12.130 1.00 0.00 N ATOM 255 CA LEU A 17 8.019 -0.350 -11.108 1.00 0.00 C ATOM 256 C LEU A 17 9.441 -0.063 -10.666 1.00 0.00 C ATOM 257 O LEU A 17 9.713 0.927 -9.993 1.00 0.00 O ATOM 258 CB LEU A 17 7.148 -0.721 -9.902 1.00 0.00 C ATOM 259 CG LEU A 17 5.796 -1.387 -10.210 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.721 -0.861 -9.273 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.365 -1.164 -11.656 1.00 0.00 C ATOM 0 H LEU A 17 7.742 -2.320 -11.804 1.00 0.00 H new ATOM 0 HA LEU A 17 7.598 0.552 -11.552 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.720 -1.392 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.959 0.185 -9.326 1.00 0.00 H new ATOM 0 HG LEU A 17 5.924 -2.459 -10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.770 -1.342 -9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.998 -1.080 -8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.623 0.217 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.406 -1.651 -11.829 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.269 -0.095 -11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.113 -1.586 -12.328 1.00 0.00 H new ATOM 273 N ASP A 18 10.344 -0.927 -11.075 1.00 0.00 N ATOM 274 CA ASP A 18 11.756 -0.771 -10.746 1.00 0.00 C ATOM 275 C ASP A 18 12.366 0.328 -11.608 1.00 0.00 C ATOM 276 O ASP A 18 12.844 0.067 -12.713 1.00 0.00 O ATOM 277 CB ASP A 18 12.506 -2.090 -10.948 1.00 0.00 C ATOM 278 CG ASP A 18 14.011 -1.906 -10.966 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.558 -1.392 -9.967 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.644 -2.276 -11.977 1.00 0.00 O ATOM 0 H ASP A 18 10.131 -1.750 -11.639 1.00 0.00 H new ATOM 0 HA ASP A 18 11.845 -0.490 -9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.238 -2.783 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.188 -2.545 -11.886 1.00 0.00 H new ATOM 285 N ASN A 19 12.300 1.560 -11.100 1.00 0.00 N ATOM 286 CA ASN A 19 12.799 2.743 -11.805 1.00 0.00 C ATOM 287 C ASN A 19 11.721 3.276 -12.746 1.00 0.00 C ATOM 288 O ASN A 19 12.003 3.683 -13.874 1.00 0.00 O ATOM 289 CB ASN A 19 14.084 2.437 -12.584 1.00 0.00 C ATOM 290 CG ASN A 19 15.126 3.528 -12.434 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.170 3.325 -11.816 1.00 0.00 O ATOM 292 ND2 ASN A 19 14.845 4.695 -13.003 1.00 0.00 N ATOM 0 H ASN A 19 11.898 1.766 -10.186 1.00 0.00 H new ATOM 0 HA ASN A 19 13.040 3.503 -11.062 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.500 1.491 -12.236 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.844 2.311 -13.640 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.508 5.467 -12.937 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.966 4.819 -13.506 1.00 0.00 H new ATOM 299 N TYR A 20 10.479 3.255 -12.263 1.00 0.00 N ATOM 300 CA TYR A 20 9.337 3.721 -13.050 1.00 0.00 C ATOM 301 C TYR A 20 9.094 5.202 -12.817 1.00 0.00 C ATOM 302 O TYR A 20 8.927 5.640 -11.680 1.00 0.00 O ATOM 303 CB TYR A 20 8.080 2.924 -12.708 1.00 0.00 C ATOM 304 CG TYR A 20 6.974 3.086 -13.726 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.952 2.317 -14.882 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.958 4.013 -13.536 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.946 2.466 -15.819 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.950 4.168 -14.467 1.00 0.00 C ATOM 309 CZ TYR A 20 4.948 3.393 -15.606 1.00 0.00 C ATOM 310 OH TYR A 20 3.946 3.544 -16.537 1.00 0.00 O ATOM 0 H TYR A 20 10.238 2.920 -11.330 1.00 0.00 H new ATOM 0 HA TYR A 20 9.570 3.566 -14.103 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.338 1.868 -12.627 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.714 3.238 -11.731 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.733 1.591 -15.052 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.956 4.623 -12.645 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.942 1.860 -16.713 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.167 4.893 -14.303 1.00 0.00 H new ATOM 0 HH TYR A 20 3.951 2.779 -17.150 1.00 0.00 H new ATOM 320 N ARG A 21 9.104 5.976 -13.899 1.00 0.00 N ATOM 321 CA ARG A 21 8.918 7.416 -13.800 1.00 0.00 C ATOM 322 C ARG A 21 10.034 7.989 -12.942 1.00 0.00 C ATOM 323 O ARG A 21 9.957 9.111 -12.441 1.00 0.00 O ATOM 324 CB ARG A 21 7.552 7.755 -13.204 1.00 0.00 C ATOM 325 CG ARG A 21 6.542 8.225 -14.239 1.00 0.00 C ATOM 326 CD ARG A 21 6.937 9.569 -14.831 1.00 0.00 C ATOM 327 NE ARG A 21 7.718 9.418 -16.056 1.00 0.00 N ATOM 328 CZ ARG A 21 7.404 10.004 -17.208 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.329 10.776 -17.292 1.00 0.00 N ATOM 330 NH2 ARG A 21 8.165 9.816 -18.278 1.00 0.00 N ATOM 0 H ARG A 21 9.238 5.630 -14.849 1.00 0.00 H new ATOM 0 HA ARG A 21 8.954 7.855 -14.797 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.157 6.876 -12.695 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.676 8.531 -12.449 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.463 7.484 -15.035 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.557 8.304 -13.779 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.039 10.150 -15.042 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.516 10.132 -14.099 1.00 0.00 H new ATOM 0 HE ARG A 21 8.551 8.830 -16.026 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.740 10.922 -16.472 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.091 11.224 -18.177 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.992 9.222 -18.218 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.923 10.266 -19.161 1.00 0.00 H new ATOM 344 N GLY A 22 11.080 7.183 -12.799 1.00 0.00 N ATOM 345 CA GLY A 22 12.234 7.574 -12.025 1.00 0.00 C ATOM 346 C GLY A 22 12.236 7.022 -10.612 1.00 0.00 C ATOM 347 O GLY A 22 13.124 7.359 -9.828 1.00 0.00 O ATOM 0 H GLY A 22 11.145 6.253 -13.214 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.135 7.238 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.279 8.662 -11.981 1.00 0.00 H new ATOM 351 N TYR A 23 11.261 6.176 -10.260 1.00 0.00 N ATOM 352 CA TYR A 23 11.231 5.627 -8.915 1.00 0.00 C ATOM 353 C TYR A 23 11.591 4.150 -8.893 1.00 0.00 C ATOM 354 O TYR A 23 11.004 3.343 -9.607 1.00 0.00 O ATOM 355 CB TYR A 23 9.875 5.877 -8.262 1.00 0.00 C ATOM 356 CG TYR A 23 9.808 7.218 -7.567 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.676 7.522 -6.524 1.00 0.00 C ATOM 358 CD2 TYR A 23 8.890 8.183 -7.958 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.628 8.749 -5.890 1.00 0.00 C ATOM 360 CE2 TYR A 23 8.836 9.412 -7.328 1.00 0.00 C ATOM 361 CZ TYR A 23 9.707 9.690 -6.295 1.00 0.00 C ATOM 362 OH TYR A 23 9.656 10.913 -5.668 1.00 0.00 O ATOM 0 H TYR A 23 10.506 5.868 -10.873 1.00 0.00 H new ATOM 0 HA TYR A 23 11.992 6.145 -8.332 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.094 5.825 -9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.671 5.086 -7.540 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.400 6.787 -6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.207 7.970 -8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.309 8.969 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.115 10.152 -7.643 1.00 0.00 H new ATOM 0 HH TYR A 23 8.952 11.460 -6.075 1.00 0.00 H new ATOM 372 N SER A 24 12.578 3.815 -8.067 1.00 0.00 N ATOM 373 CA SER A 24 13.046 2.446 -7.938 1.00 0.00 C ATOM 374 C SER A 24 12.067 1.607 -7.131 1.00 0.00 C ATOM 375 O SER A 24 11.241 2.135 -6.387 1.00 0.00 O ATOM 376 CB SER A 24 14.426 2.415 -7.279 1.00 0.00 C ATOM 377 OG SER A 24 14.351 2.798 -5.917 1.00 0.00 O ATOM 0 H SER A 24 13.071 4.483 -7.474 1.00 0.00 H new ATOM 0 HA SER A 24 13.119 2.021 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.846 1.412 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.101 3.085 -7.811 1.00 0.00 H new ATOM 0 HG SER A 24 13.586 3.397 -5.787 1.00 0.00 H new ATOM 383 N LEU A 25 12.176 0.299 -7.296 1.00 0.00 N ATOM 384 CA LEU A 25 11.318 -0.661 -6.610 1.00 0.00 C ATOM 385 C LEU A 25 11.093 -0.296 -5.142 1.00 0.00 C ATOM 386 O LEU A 25 9.951 -0.190 -4.693 1.00 0.00 O ATOM 387 CB LEU A 25 11.941 -2.051 -6.710 1.00 0.00 C ATOM 388 CG LEU A 25 11.295 -2.972 -7.738 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.228 -4.122 -8.085 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.969 -3.495 -7.215 1.00 0.00 C ATOM 0 H LEU A 25 12.865 -0.132 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 25 10.343 -0.645 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.998 -1.943 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.887 -2.528 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 25 11.106 -2.401 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.750 -4.769 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.155 -3.726 -8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.448 -4.696 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.518 -4.152 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.136 -4.052 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.300 -2.657 -7.017 1.00 0.00 H new ATOM 402 N GLY A 26 12.183 -0.135 -4.398 1.00 0.00 N ATOM 403 CA GLY A 26 12.092 0.186 -2.981 1.00 0.00 C ATOM 404 C GLY A 26 11.069 1.264 -2.654 1.00 0.00 C ATOM 405 O GLY A 26 10.378 1.179 -1.639 1.00 0.00 O ATOM 0 H GLY A 26 13.135 -0.222 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.839 -0.720 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.071 0.510 -2.629 1.00 0.00 H new ATOM 409 N ASN A 27 10.978 2.283 -3.501 1.00 0.00 N ATOM 410 CA ASN A 27 10.039 3.381 -3.276 1.00 0.00 C ATOM 411 C ASN A 27 8.590 2.914 -3.408 1.00 0.00 C ATOM 412 O ASN A 27 7.699 3.425 -2.730 1.00 0.00 O ATOM 413 CB ASN A 27 10.310 4.522 -4.256 1.00 0.00 C ATOM 414 CG ASN A 27 11.685 5.133 -4.067 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.724 4.346 -4.321 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.812 6.300 -3.695 1.00 0.00 N flip ATOM 0 H ASN A 27 11.540 2.374 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 27 10.188 3.739 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.218 4.150 -5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.552 5.294 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.986 6.869 -3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.743 6.697 -3.571 1.00 0.00 H new ATOM 423 N TRP A 28 8.365 1.947 -4.289 1.00 0.00 N ATOM 424 CA TRP A 28 7.028 1.411 -4.522 1.00 0.00 C ATOM 425 C TRP A 28 6.609 0.451 -3.420 1.00 0.00 C ATOM 426 O TRP A 28 5.429 0.373 -3.077 1.00 0.00 O ATOM 427 CB TRP A 28 6.977 0.728 -5.880 1.00 0.00 C ATOM 428 CG TRP A 28 7.383 1.647 -6.976 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.621 1.762 -7.519 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.556 2.600 -7.645 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.624 2.739 -8.480 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.368 3.269 -8.580 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.209 2.950 -7.540 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.881 4.276 -9.410 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.713 3.944 -8.359 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.549 4.603 -9.288 1.00 0.00 C ATOM 0 H TRP A 28 9.094 1.516 -4.857 1.00 0.00 H new ATOM 0 HA TRP A 28 6.321 2.241 -4.512 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.633 -0.142 -5.874 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.966 0.364 -6.066 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.479 1.170 -7.235 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.433 3.025 -9.032 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.566 2.452 -6.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.521 4.779 -10.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.672 4.222 -8.289 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.135 5.379 -9.915 1.00 0.00 H new ATOM 447 N VAL A 29 7.568 -0.278 -2.860 1.00 0.00 N ATOM 448 CA VAL A 29 7.268 -1.221 -1.795 1.00 0.00 C ATOM 449 C VAL A 29 6.969 -0.495 -0.493 1.00 0.00 C ATOM 450 O VAL A 29 5.966 -0.769 0.161 1.00 0.00 O ATOM 451 CB VAL A 29 8.434 -2.204 -1.573 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.149 -3.129 -0.400 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.704 -3.003 -2.840 1.00 0.00 C ATOM 0 H VAL A 29 8.552 -0.233 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 29 6.386 -1.783 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 29 9.327 -1.627 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.987 -3.813 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.013 -2.537 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.243 -3.701 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.530 -3.692 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.812 -3.567 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.964 -2.322 -3.651 1.00 0.00 H new ATOM 463 N CYS A 30 7.845 0.428 -0.121 1.00 0.00 N ATOM 464 CA CYS A 30 7.668 1.189 1.108 1.00 0.00 C ATOM 465 C CYS A 30 6.367 1.987 1.072 1.00 0.00 C ATOM 466 O CYS A 30 5.609 1.993 2.042 1.00 0.00 O ATOM 467 CB CYS A 30 8.851 2.130 1.326 1.00 0.00 C ATOM 468 SG CYS A 30 8.932 2.841 3.002 1.00 0.00 S ATOM 0 H CYS A 30 8.683 0.668 -0.651 1.00 0.00 H new ATOM 0 HA CYS A 30 7.618 0.484 1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.775 1.587 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.795 2.941 0.600 1.00 0.00 H new ATOM 473 N ALA A 31 6.115 2.661 -0.048 1.00 0.00 N ATOM 474 CA ALA A 31 4.909 3.463 -0.200 1.00 0.00 C ATOM 475 C ALA A 31 3.658 2.604 -0.087 1.00 0.00 C ATOM 476 O ALA A 31 2.708 2.963 0.604 1.00 0.00 O ATOM 477 CB ALA A 31 4.927 4.190 -1.536 1.00 0.00 C ATOM 0 H ALA A 31 6.731 2.666 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 31 4.888 4.197 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.020 4.786 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.798 4.843 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.976 3.462 -2.346 1.00 0.00 H new ATOM 483 N ALA A 32 3.665 1.467 -0.774 1.00 0.00 N ATOM 484 CA ALA A 32 2.529 0.557 -0.757 1.00 0.00 C ATOM 485 C ALA A 32 2.348 -0.084 0.616 1.00 0.00 C ATOM 486 O ALA A 32 1.226 -0.219 1.100 1.00 0.00 O ATOM 487 CB ALA A 32 2.699 -0.513 -1.827 1.00 0.00 C ATOM 0 H ALA A 32 4.447 1.154 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 32 1.630 1.135 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.844 -1.188 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.764 -0.040 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.612 -1.077 -1.635 1.00 0.00 H new ATOM 493 N LYS A 33 3.455 -0.490 1.232 1.00 0.00 N ATOM 494 CA LYS A 33 3.421 -1.131 2.543 1.00 0.00 C ATOM 495 C LYS A 33 2.621 -0.315 3.550 1.00 0.00 C ATOM 496 O LYS A 33 1.692 -0.818 4.170 1.00 0.00 O ATOM 497 CB LYS A 33 4.843 -1.338 3.066 1.00 0.00 C ATOM 498 CG LYS A 33 4.944 -2.395 4.153 1.00 0.00 C ATOM 499 CD LYS A 33 5.545 -1.826 5.428 1.00 0.00 C ATOM 500 CE LYS A 33 4.759 -2.257 6.655 1.00 0.00 C ATOM 501 NZ LYS A 33 5.166 -3.607 7.132 1.00 0.00 N ATOM 0 H LYS A 33 4.391 -0.386 0.841 1.00 0.00 H new ATOM 0 HA LYS A 33 2.929 -2.096 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.489 -1.621 2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.219 -0.392 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.953 -2.797 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.556 -3.225 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.579 -2.156 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.562 -0.738 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.907 -1.530 7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.694 -2.261 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.606 -3.863 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.001 -4.305 6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.176 -3.598 7.380 1.00 0.00 H new ATOM 515 N PHE A 34 3.000 0.939 3.734 1.00 0.00 N ATOM 516 CA PHE A 34 2.312 1.787 4.693 1.00 0.00 C ATOM 517 C PHE A 34 0.971 2.273 4.170 1.00 0.00 C ATOM 518 O PHE A 34 0.068 2.574 4.950 1.00 0.00 O ATOM 519 CB PHE A 34 3.186 2.958 5.095 1.00 0.00 C ATOM 520 CG PHE A 34 4.034 2.685 6.305 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.513 2.835 7.581 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.351 2.277 6.167 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.290 2.582 8.695 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.133 2.024 7.278 1.00 0.00 C ATOM 525 CZ PHE A 34 5.601 2.175 8.543 1.00 0.00 C ATOM 0 H PHE A 34 3.770 1.388 3.239 1.00 0.00 H new ATOM 0 HA PHE A 34 2.112 1.179 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.834 3.222 4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.553 3.823 5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.488 3.153 7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.771 2.155 5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.873 2.702 9.684 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.159 1.709 7.157 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.209 1.975 9.413 1.00 0.00 H new ATOM 535 N GLU A 35 0.841 2.352 2.856 1.00 0.00 N ATOM 536 CA GLU A 35 -0.395 2.806 2.242 1.00 0.00 C ATOM 537 C GLU A 35 -1.542 1.835 2.501 1.00 0.00 C ATOM 538 O GLU A 35 -2.612 2.228 2.964 1.00 0.00 O ATOM 539 CB GLU A 35 -0.192 2.952 0.734 1.00 0.00 C ATOM 540 CG GLU A 35 -0.050 4.391 0.269 1.00 0.00 C ATOM 541 CD GLU A 35 0.619 4.498 -1.086 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.054 4.226 -2.103 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.815 4.853 -1.131 1.00 0.00 O ATOM 0 H GLU A 35 1.577 2.107 2.194 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.655 3.767 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.699 2.396 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.036 2.495 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.036 4.853 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.530 4.951 1.002 1.00 0.00 H new ATOM 550 N SER A 36 -1.326 0.576 2.141 1.00 0.00 N ATOM 551 CA SER A 36 -2.363 -0.444 2.275 1.00 0.00 C ATOM 552 C SER A 36 -1.845 -1.736 2.898 1.00 0.00 C ATOM 553 O SER A 36 -2.595 -2.704 3.027 1.00 0.00 O ATOM 554 CB SER A 36 -2.939 -0.753 0.891 1.00 0.00 C ATOM 555 OG SER A 36 -1.915 -1.158 -0.001 1.00 0.00 O ATOM 0 H SER A 36 -0.445 0.236 1.755 1.00 0.00 H new ATOM 0 HA SER A 36 -3.128 -0.046 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.689 -1.540 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.443 0.129 0.497 1.00 0.00 H new ATOM 0 HG SER A 36 -1.637 -0.394 -0.549 1.00 0.00 H new ATOM 561 N ASN A 37 -0.570 -1.766 3.261 1.00 0.00 N ATOM 562 CA ASN A 37 0.019 -2.968 3.842 1.00 0.00 C ATOM 563 C ASN A 37 -0.071 -4.112 2.843 1.00 0.00 C ATOM 564 O ASN A 37 -0.128 -5.276 3.220 1.00 0.00 O ATOM 565 CB ASN A 37 -0.690 -3.345 5.147 1.00 0.00 C ATOM 566 CG ASN A 37 -0.236 -2.494 6.316 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.960 -2.338 6.559 1.00 0.00 O ATOM 568 ND2 ASN A 37 -1.193 -1.938 7.051 1.00 0.00 N ATOM 0 H ASN A 37 0.073 -0.980 3.165 1.00 0.00 H new ATOM 0 HA ASN A 37 1.066 -2.771 4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.767 -3.235 5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.501 -4.395 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.948 -1.356 7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.173 -2.093 6.814 1.00 0.00 H new ATOM 575 N PHE A 38 -0.076 -3.742 1.564 1.00 0.00 N ATOM 576 CA PHE A 38 -0.154 -4.672 0.448 1.00 0.00 C ATOM 577 C PHE A 38 -1.499 -5.378 0.407 1.00 0.00 C ATOM 578 O PHE A 38 -1.630 -6.441 -0.188 1.00 0.00 O ATOM 579 CB PHE A 38 1.002 -5.679 0.487 1.00 0.00 C ATOM 580 CG PHE A 38 2.347 -5.020 0.599 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.653 -3.912 -0.178 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.303 -5.500 1.477 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.885 -3.298 -0.081 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.539 -4.889 1.579 1.00 0.00 C ATOM 585 CZ PHE A 38 4.830 -3.787 0.798 1.00 0.00 C ATOM 0 H PHE A 38 -0.025 -2.766 1.272 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.061 -4.093 -0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.862 -6.353 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.976 -6.290 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.917 -3.525 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.081 -6.361 2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.109 -2.436 -0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.276 -5.273 2.269 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.795 -3.309 0.875 1.00 0.00 H new ATOM 595 N ASN A 39 -2.512 -4.763 1.005 1.00 0.00 N ATOM 596 CA ASN A 39 -3.849 -5.338 0.996 1.00 0.00 C ATOM 597 C ASN A 39 -4.517 -5.030 -0.334 1.00 0.00 C ATOM 598 O ASN A 39 -4.744 -3.869 -0.677 1.00 0.00 O ATOM 599 CB ASN A 39 -4.681 -4.806 2.162 1.00 0.00 C ATOM 600 CG ASN A 39 -6.011 -5.522 2.300 1.00 0.00 C ATOM 601 OD1 ASN A 39 -7.021 -4.914 2.652 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.016 -6.821 2.027 1.00 0.00 N ATOM 0 H ASN A 39 -2.434 -3.874 1.498 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.774 -6.419 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.115 -4.915 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.859 -3.740 2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.881 -7.355 2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.155 -7.285 1.738 1.00 0.00 H new ATOM 609 N THR A 40 -4.784 -6.077 -1.095 1.00 0.00 N ATOM 610 CA THR A 40 -5.374 -5.940 -2.414 1.00 0.00 C ATOM 611 C THR A 40 -6.761 -5.346 -2.310 1.00 0.00 C ATOM 612 O THR A 40 -7.311 -4.829 -3.283 1.00 0.00 O ATOM 613 CB THR A 40 -5.460 -7.304 -3.127 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.728 -7.917 -2.867 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.353 -8.235 -2.659 1.00 0.00 C ATOM 0 H THR A 40 -4.599 -7.041 -0.818 1.00 0.00 H new ATOM 0 HA THR A 40 -4.734 -5.277 -2.996 1.00 0.00 H new ATOM 0 HB THR A 40 -5.346 -7.129 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.387 -7.593 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.437 -9.190 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.384 -7.787 -2.878 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.443 -8.396 -1.585 1.00 0.00 H new ATOM 623 N GLN A 41 -7.328 -5.456 -1.124 1.00 0.00 N ATOM 624 CA GLN A 41 -8.664 -4.972 -0.860 1.00 0.00 C ATOM 625 C GLN A 41 -8.675 -3.761 0.076 1.00 0.00 C ATOM 626 O GLN A 41 -9.741 -3.291 0.474 1.00 0.00 O ATOM 627 CB GLN A 41 -9.460 -6.114 -0.247 1.00 0.00 C ATOM 628 CG GLN A 41 -10.233 -6.940 -1.263 1.00 0.00 C ATOM 629 CD GLN A 41 -11.645 -7.252 -0.806 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.606 -6.620 -1.244 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.778 -8.233 0.081 1.00 0.00 N ATOM 0 H GLN A 41 -6.873 -5.884 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.108 -4.640 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.778 -6.769 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.159 -5.706 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.272 -6.401 -2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.700 -7.873 -1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.954 -8.731 0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.704 -8.488 0.425 1.00 0.00 H new ATOM 640 N ALA A 42 -7.494 -3.275 0.447 1.00 0.00 N ATOM 641 CA ALA A 42 -7.385 -2.138 1.359 1.00 0.00 C ATOM 642 C ALA A 42 -8.038 -0.871 0.816 1.00 0.00 C ATOM 643 O ALA A 42 -7.692 -0.384 -0.265 1.00 0.00 O ATOM 644 CB ALA A 42 -5.931 -1.857 1.683 1.00 0.00 C ATOM 0 H ALA A 42 -6.599 -3.649 0.131 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.924 -2.419 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.867 -1.008 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.487 -2.734 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.391 -1.627 0.764 1.00 0.00 H new ATOM 650 N THR A 43 -8.965 -0.331 1.602 1.00 0.00 N ATOM 651 CA THR A 43 -9.667 0.898 1.259 1.00 0.00 C ATOM 652 C THR A 43 -9.484 1.918 2.382 1.00 0.00 C ATOM 653 O THR A 43 -9.645 1.581 3.556 1.00 0.00 O ATOM 654 CB THR A 43 -11.173 0.646 1.052 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.862 0.731 2.305 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.416 -0.721 0.429 1.00 0.00 C ATOM 0 H THR A 43 -9.249 -0.735 2.495 1.00 0.00 H new ATOM 0 HA THR A 43 -9.248 1.277 0.327 1.00 0.00 H new ATOM 0 HB THR A 43 -11.554 1.410 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.211 0.723 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.487 -0.874 0.294 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.917 -0.774 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.019 -1.496 1.085 1.00 0.00 H new ATOM 664 N ASN A 44 -9.137 3.154 2.036 1.00 0.00 N ATOM 665 CA ASN A 44 -8.929 4.188 3.046 1.00 0.00 C ATOM 666 C ASN A 44 -9.791 5.416 2.770 1.00 0.00 C ATOM 667 O ASN A 44 -9.485 6.215 1.885 1.00 0.00 O ATOM 668 CB ASN A 44 -7.454 4.590 3.097 1.00 0.00 C ATOM 669 CG ASN A 44 -6.591 3.535 3.761 1.00 0.00 C ATOM 670 OD1 ASN A 44 -5.672 2.991 3.147 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.882 3.240 5.023 1.00 0.00 N ATOM 0 H ASN A 44 -8.995 3.463 1.074 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.224 3.775 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.093 4.766 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.355 5.531 3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.335 2.538 5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.652 3.715 5.493 1.00 0.00 H new ATOM 678 N ARG A 45 -10.869 5.559 3.535 1.00 0.00 N ATOM 679 CA ARG A 45 -11.778 6.690 3.374 1.00 0.00 C ATOM 680 C ARG A 45 -11.273 7.912 4.133 1.00 0.00 C ATOM 681 O ARG A 45 -10.977 7.838 5.327 1.00 0.00 O ATOM 682 CB ARG A 45 -13.180 6.316 3.862 1.00 0.00 C ATOM 683 CG ARG A 45 -14.294 6.974 3.065 1.00 0.00 C ATOM 684 CD ARG A 45 -15.660 6.448 3.480 1.00 0.00 C ATOM 685 NE ARG A 45 -16.519 6.188 2.327 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.487 5.061 1.623 1.00 0.00 C ATOM 687 NH1 ARG A 45 -15.643 4.092 1.952 1.00 0.00 N ATOM 688 NH2 ARG A 45 -17.301 4.901 0.588 1.00 0.00 N ATOM 0 H ARG A 45 -11.135 4.906 4.272 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.822 6.939 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.297 5.234 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.279 6.598 4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.259 8.054 3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.140 6.791 2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.536 5.530 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.143 7.172 4.136 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.180 6.912 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.016 4.210 2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.621 3.229 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.952 5.643 0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.276 4.036 0.048 1.00 0.00 H new ATOM 702 N ASN A 46 -11.178 9.037 3.431 1.00 0.00 N ATOM 703 CA ASN A 46 -10.710 10.281 4.034 1.00 0.00 C ATOM 704 C ASN A 46 -11.868 11.247 4.255 1.00 0.00 C ATOM 705 O ASN A 46 -13.004 10.972 3.870 1.00 0.00 O ATOM 706 CB ASN A 46 -9.647 10.934 3.151 1.00 0.00 C ATOM 707 CG ASN A 46 -8.738 9.917 2.491 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.631 9.863 1.266 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.074 9.101 3.303 1.00 0.00 N ATOM 0 H ASN A 46 -11.419 9.113 2.443 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.269 10.042 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.135 11.533 2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.047 11.616 3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.447 8.396 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.192 9.180 4.313 1.00 0.00 H new ATOM 716 N THR A 47 -11.568 12.381 4.879 1.00 0.00 N ATOM 717 CA THR A 47 -12.579 13.394 5.157 1.00 0.00 C ATOM 718 C THR A 47 -12.828 14.275 3.937 1.00 0.00 C ATOM 719 O THR A 47 -13.853 14.952 3.849 1.00 0.00 O ATOM 720 CB THR A 47 -12.170 14.285 6.344 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.885 14.868 6.100 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.131 13.481 7.635 1.00 0.00 C ATOM 0 H THR A 47 -10.631 12.622 5.202 1.00 0.00 H new ATOM 0 HA THR A 47 -13.496 12.862 5.410 1.00 0.00 H new ATOM 0 HB THR A 47 -12.913 15.076 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.633 15.434 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.840 14.131 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.118 13.063 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.407 12.672 7.538 1.00 0.00 H new ATOM 730 N ASP A 48 -11.886 14.262 3.000 1.00 0.00 N ATOM 731 CA ASP A 48 -12.005 15.062 1.785 1.00 0.00 C ATOM 732 C ASP A 48 -13.059 14.478 0.848 1.00 0.00 C ATOM 733 O ASP A 48 -13.427 15.097 -0.151 1.00 0.00 O ATOM 734 CB ASP A 48 -10.657 15.147 1.070 1.00 0.00 C ATOM 735 CG ASP A 48 -10.004 13.788 0.900 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.730 12.772 0.921 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.766 13.741 0.745 1.00 0.00 O ATOM 0 H ASP A 48 -11.032 13.707 3.058 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.318 16.066 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.797 15.605 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.990 15.799 1.634 1.00 0.00 H new ATOM 742 N GLY A 49 -13.540 13.285 1.180 1.00 0.00 N ATOM 743 CA GLY A 49 -14.549 12.637 0.360 1.00 0.00 C ATOM 744 C GLY A 49 -13.982 11.517 -0.490 1.00 0.00 C ATOM 745 O GLY A 49 -14.680 10.552 -0.800 1.00 0.00 O ATOM 0 H GLY A 49 -13.250 12.755 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.333 12.238 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.016 13.379 -0.288 1.00 0.00 H new ATOM 749 N SER A 50 -12.714 11.644 -0.868 1.00 0.00 N ATOM 750 CA SER A 50 -12.060 10.631 -1.688 1.00 0.00 C ATOM 751 C SER A 50 -11.669 9.420 -0.845 1.00 0.00 C ATOM 752 O SER A 50 -11.781 9.442 0.380 1.00 0.00 O ATOM 753 CB SER A 50 -10.825 11.208 -2.381 1.00 0.00 C ATOM 754 OG SER A 50 -10.229 12.229 -1.600 1.00 0.00 O ATOM 0 H SER A 50 -12.121 12.436 -0.620 1.00 0.00 H new ATOM 0 HA SER A 50 -12.769 10.310 -2.451 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.101 10.413 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.105 11.609 -3.355 1.00 0.00 H new ATOM 0 HG SER A 50 -10.287 11.991 -0.651 1.00 0.00 H new ATOM 760 N THR A 51 -11.222 8.365 -1.516 1.00 0.00 N ATOM 761 CA THR A 51 -10.825 7.139 -0.834 1.00 0.00 C ATOM 762 C THR A 51 -9.594 6.514 -1.484 1.00 0.00 C ATOM 763 O THR A 51 -9.169 6.932 -2.558 1.00 0.00 O ATOM 764 CB THR A 51 -11.972 6.112 -0.838 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.234 6.787 -0.786 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.856 5.156 0.338 1.00 0.00 C ATOM 0 H THR A 51 -11.125 8.334 -2.531 1.00 0.00 H new ATOM 0 HA THR A 51 -10.584 7.409 0.194 1.00 0.00 H new ATOM 0 HB THR A 51 -11.904 5.534 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.956 6.144 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.679 4.442 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.909 4.620 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.897 5.719 1.270 1.00 0.00 H new ATOM 774 N ASP A 52 -9.028 5.510 -0.821 1.00 0.00 N ATOM 775 CA ASP A 52 -7.848 4.819 -1.328 1.00 0.00 C ATOM 776 C ASP A 52 -8.137 3.343 -1.532 1.00 0.00 C ATOM 777 O ASP A 52 -7.844 2.514 -0.671 1.00 0.00 O ATOM 778 CB ASP A 52 -6.673 4.996 -0.364 1.00 0.00 C ATOM 779 CG ASP A 52 -6.335 6.455 -0.128 1.00 0.00 C ATOM 780 OD1 ASP A 52 -5.832 7.107 -1.067 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.573 6.946 0.995 1.00 0.00 O ATOM 0 H ASP A 52 -9.370 5.156 0.072 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.584 5.256 -2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.913 4.523 0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.798 4.483 -0.763 1.00 0.00 H new ATOM 786 N TYR A 53 -8.714 3.024 -2.683 1.00 0.00 N ATOM 787 CA TYR A 53 -9.040 1.648 -3.005 1.00 0.00 C ATOM 788 C TYR A 53 -7.941 1.010 -3.844 1.00 0.00 C ATOM 789 O TYR A 53 -8.036 0.973 -5.067 1.00 0.00 O ATOM 790 CB TYR A 53 -10.358 1.560 -3.781 1.00 0.00 C ATOM 791 CG TYR A 53 -11.544 2.206 -3.104 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.100 1.656 -1.957 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.122 3.356 -3.625 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.199 2.235 -1.348 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.218 3.942 -3.020 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.753 3.377 -1.883 1.00 0.00 C ATOM 797 OH TYR A 53 -14.846 3.956 -1.280 1.00 0.00 O ATOM 0 H TYR A 53 -8.964 3.700 -3.405 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.137 1.114 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.219 2.025 -4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.588 0.509 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.668 0.762 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.708 3.800 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.621 1.794 -0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.653 4.839 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.112 4.754 -1.782 1.00 0.00 H new ATOM 807 N GLY A 54 -6.881 0.532 -3.210 1.00 0.00 N ATOM 808 CA GLY A 54 -5.809 -0.080 -3.974 1.00 0.00 C ATOM 809 C GLY A 54 -4.549 -0.269 -3.159 1.00 0.00 C ATOM 810 O GLY A 54 -4.371 0.383 -2.130 1.00 0.00 O ATOM 0 H GLY A 54 -6.742 0.554 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.142 -1.047 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.586 0.540 -4.842 1.00 0.00 H new ATOM 814 N ILE A 55 -3.656 -1.137 -3.628 1.00 0.00 N ATOM 815 CA ILE A 55 -2.399 -1.361 -2.931 1.00 0.00 C ATOM 816 C ILE A 55 -1.577 -0.083 -2.998 1.00 0.00 C ATOM 817 O ILE A 55 -0.811 0.235 -2.088 1.00 0.00 O ATOM 818 CB ILE A 55 -1.596 -2.534 -3.536 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.405 -2.882 -2.641 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.126 -2.186 -4.938 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.242 -4.206 -2.983 1.00 0.00 C ATOM 0 H ILE A 55 -3.779 -1.689 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.621 -1.626 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.247 -3.406 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.341 -2.091 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.736 -2.906 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.562 -3.022 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.990 -1.983 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.489 -1.302 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.079 -4.387 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.490 -5.007 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.604 -4.179 -4.011 1.00 0.00 H new ATOM 833 N LEU A 56 -1.790 0.669 -4.077 1.00 0.00 N ATOM 834 CA LEU A 56 -1.123 1.947 -4.272 1.00 0.00 C ATOM 835 C LEU A 56 -2.119 3.067 -3.987 1.00 0.00 C ATOM 836 O LEU A 56 -1.833 4.237 -4.225 1.00 0.00 O ATOM 837 CB LEU A 56 -0.562 2.081 -5.701 1.00 0.00 C ATOM 838 CG LEU A 56 0.962 2.298 -5.804 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.459 3.192 -4.676 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.685 0.959 -5.780 1.00 0.00 C ATOM 0 H LEU A 56 -2.425 0.409 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.278 2.012 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.821 1.181 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.063 2.915 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 56 1.176 2.796 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.536 3.331 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.962 4.160 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.235 2.726 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.760 1.125 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.460 0.441 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.353 0.351 -6.622 1.00 0.00 H new ATOM 852 N GLN A 57 -3.293 2.687 -3.461 1.00 0.00 N ATOM 853 CA GLN A 57 -4.353 3.636 -3.115 1.00 0.00 C ATOM 854 C GLN A 57 -4.999 4.249 -4.352 1.00 0.00 C ATOM 855 O GLN A 57 -4.705 5.393 -4.704 1.00 0.00 O ATOM 856 CB GLN A 57 -3.803 4.741 -2.210 1.00 0.00 C ATOM 857 CG GLN A 57 -3.297 4.234 -0.870 1.00 0.00 C ATOM 858 CD GLN A 57 -3.336 5.299 0.209 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.866 6.419 0.010 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.898 4.953 1.362 1.00 0.00 N ATOM 0 H GLN A 57 -3.531 1.715 -3.265 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.124 3.080 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.990 5.251 -2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.585 5.481 -2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.901 3.382 -0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.274 3.875 -0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.275 4.013 1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.952 5.627 2.125 1.00 0.00 H new ATOM 869 N ILE A 58 -5.872 3.493 -5.026 1.00 0.00 N ATOM 870 CA ILE A 58 -6.518 4.000 -6.217 1.00 0.00 C ATOM 871 C ILE A 58 -7.776 4.759 -5.850 1.00 0.00 C ATOM 872 O ILE A 58 -8.835 4.169 -5.627 1.00 0.00 O ATOM 873 CB ILE A 58 -6.852 2.864 -7.208 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.566 2.317 -7.833 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.801 3.357 -8.292 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.705 1.529 -6.868 1.00 0.00 C ATOM 0 H ILE A 58 -6.137 2.544 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.821 4.679 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.347 2.061 -6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.826 1.679 -8.677 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.983 3.149 -8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.023 2.541 -8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.726 3.708 -7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.334 4.176 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.812 1.174 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.413 2.169 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.269 0.676 -6.490 1.00 0.00 H new ATOM 888 N ASN A 59 -7.652 6.076 -5.791 1.00 0.00 N ATOM 889 CA ASN A 59 -8.777 6.924 -5.459 1.00 0.00 C ATOM 890 C ASN A 59 -9.851 6.772 -6.519 1.00 0.00 C ATOM 891 O ASN A 59 -9.741 7.337 -7.607 1.00 0.00 O ATOM 892 CB ASN A 59 -8.330 8.384 -5.366 1.00 0.00 C ATOM 893 CG ASN A 59 -9.476 9.324 -5.046 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.549 8.895 -4.623 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.252 10.619 -5.247 1.00 0.00 N ATOM 0 H ASN A 59 -6.782 6.577 -5.969 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.180 6.625 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.563 8.477 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.873 8.681 -6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.985 11.300 -5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.347 10.931 -5.599 1.00 0.00 H new ATOM 902 N SER A 60 -10.891 6.009 -6.209 1.00 0.00 N ATOM 903 CA SER A 60 -11.980 5.793 -7.154 1.00 0.00 C ATOM 904 C SER A 60 -12.752 7.082 -7.429 1.00 0.00 C ATOM 905 O SER A 60 -13.436 7.195 -8.445 1.00 0.00 O ATOM 906 CB SER A 60 -12.937 4.728 -6.618 1.00 0.00 C ATOM 907 OG SER A 60 -13.928 5.303 -5.783 1.00 0.00 O ATOM 0 H SER A 60 -11.004 5.531 -5.315 1.00 0.00 H new ATOM 0 HA SER A 60 -11.540 5.455 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.414 4.212 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.376 3.979 -6.059 1.00 0.00 H new ATOM 0 HG SER A 60 -14.427 4.592 -5.330 1.00 0.00 H new ATOM 913 N ARG A 61 -12.646 8.055 -6.529 1.00 0.00 N ATOM 914 CA ARG A 61 -13.344 9.324 -6.701 1.00 0.00 C ATOM 915 C ARG A 61 -12.519 10.279 -7.554 1.00 0.00 C ATOM 916 O ARG A 61 -12.745 11.489 -7.547 1.00 0.00 O ATOM 917 CB ARG A 61 -13.639 9.958 -5.341 1.00 0.00 C ATOM 918 CG ARG A 61 -14.895 10.814 -5.328 1.00 0.00 C ATOM 919 CD ARG A 61 -14.594 12.236 -4.882 1.00 0.00 C ATOM 920 NE ARG A 61 -15.296 13.224 -5.699 1.00 0.00 N ATOM 921 CZ ARG A 61 -14.999 14.521 -5.703 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.020 14.984 -4.938 1.00 0.00 N ATOM 923 NH2 ARG A 61 -15.684 15.355 -6.474 1.00 0.00 N ATOM 0 H ARG A 61 -12.087 7.990 -5.678 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.287 9.129 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.740 9.169 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.788 10.571 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.337 10.830 -6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.633 10.370 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.882 12.358 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.520 12.415 -4.939 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.055 12.902 -6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.492 14.345 -4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.795 15.979 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.438 15.002 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.457 16.349 -6.478 1.00 0.00 H new ATOM 937 N TRP A 62 -11.561 9.723 -8.287 1.00 0.00 N ATOM 938 CA TRP A 62 -10.701 10.530 -9.147 1.00 0.00 C ATOM 939 C TRP A 62 -9.995 9.703 -10.227 1.00 0.00 C ATOM 940 O TRP A 62 -9.290 10.264 -11.064 1.00 0.00 O ATOM 941 CB TRP A 62 -9.658 11.265 -8.302 1.00 0.00 C ATOM 942 CG TRP A 62 -9.494 12.705 -8.681 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.814 13.197 -9.758 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.017 13.840 -7.982 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.884 14.569 -9.772 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.616 14.988 -8.693 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.786 13.999 -6.826 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.959 16.275 -8.285 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.125 15.276 -6.421 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.712 16.399 -7.149 1.00 0.00 C ATOM 0 H TRP A 62 -11.360 8.723 -8.304 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.347 11.245 -9.657 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.943 11.203 -7.252 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.698 10.759 -8.402 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.297 12.596 -10.491 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.460 15.177 -10.472 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.110 13.139 -6.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.642 17.143 -8.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.718 15.410 -5.528 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.994 17.384 -6.807 1.00 0.00 H new ATOM 961 N TRP A 63 -10.161 8.378 -10.207 1.00 0.00 N ATOM 962 CA TRP A 63 -9.499 7.530 -11.194 1.00 0.00 C ATOM 963 C TRP A 63 -10.444 6.501 -11.804 1.00 0.00 C ATOM 964 O TRP A 63 -10.723 6.536 -13.002 1.00 0.00 O ATOM 965 CB TRP A 63 -8.302 6.819 -10.555 1.00 0.00 C ATOM 966 CG TRP A 63 -7.199 7.759 -10.185 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.561 7.870 -8.980 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.614 8.736 -11.038 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.606 8.860 -9.047 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.623 9.407 -10.305 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.840 9.100 -12.360 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.857 10.431 -10.859 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.091 10.110 -12.912 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.105 10.771 -12.164 1.00 0.00 C ATOM 0 H TRP A 63 -10.738 7.879 -9.530 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.159 8.180 -12.001 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.635 6.288 -9.663 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.918 6.070 -11.248 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.774 7.271 -8.107 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.987 9.141 -8.286 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.594 8.595 -12.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.097 10.937 -10.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.264 10.400 -13.938 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.531 11.562 -12.624 1.00 0.00 H new ATOM 985 N CYS A 64 -10.905 5.568 -10.984 1.00 0.00 N ATOM 986 CA CYS A 64 -11.788 4.513 -11.471 1.00 0.00 C ATOM 987 C CYS A 64 -13.254 4.818 -11.219 1.00 0.00 C ATOM 988 O CYS A 64 -13.603 5.659 -10.392 1.00 0.00 O ATOM 989 CB CYS A 64 -11.417 3.165 -10.843 1.00 0.00 C ATOM 990 SG CYS A 64 -12.097 2.894 -9.172 1.00 0.00 S ATOM 0 H CYS A 64 -10.687 5.517 -9.989 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.647 4.460 -12.551 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.766 2.366 -11.497 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.331 3.087 -10.796 1.00 0.00 H new ATOM 995 N ASN A 65 -14.109 4.116 -11.955 1.00 0.00 N ATOM 996 CA ASN A 65 -15.553 4.288 -11.837 1.00 0.00 C ATOM 997 C ASN A 65 -16.170 3.155 -11.023 1.00 0.00 C ATOM 998 O ASN A 65 -16.194 2.005 -11.460 1.00 0.00 O ATOM 999 CB ASN A 65 -16.198 4.343 -13.223 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.697 4.563 -13.155 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.482 3.686 -13.517 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.102 5.738 -12.690 1.00 0.00 N ATOM 0 H ASN A 65 -13.825 3.419 -12.643 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.740 5.229 -11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.742 5.146 -13.801 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.994 3.413 -13.753 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.099 5.943 -12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.417 6.436 -12.401 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.667 3.490 -9.836 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.283 2.500 -8.959 1.00 0.00 C ATOM 1011 C ASP A 66 -18.805 2.579 -9.028 1.00 0.00 C ATOM 1012 O ASP A 66 -19.503 1.653 -8.617 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.813 2.701 -7.517 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.365 3.971 -6.899 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.453 4.991 -7.614 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.708 3.945 -5.699 1.00 0.00 O ATOM 0 H ASP A 66 -16.655 4.438 -9.460 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.975 1.511 -9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.119 1.845 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.724 2.733 -7.494 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.313 3.691 -9.553 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.749 3.870 -9.671 1.00 0.00 C ATOM 1023 C GLY A 67 -21.413 4.194 -8.347 1.00 0.00 C ATOM 1024 O GLY A 67 -22.587 4.561 -8.310 1.00 0.00 O ATOM 0 H GLY A 67 -18.755 4.472 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.953 4.672 -10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.191 2.962 -10.081 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.663 4.059 -7.257 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.192 4.340 -5.926 1.00 0.00 C ATOM 1030 C ARG A 68 -20.790 5.736 -5.462 1.00 0.00 C ATOM 1031 O ARG A 68 -21.184 6.180 -4.383 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.696 3.295 -4.926 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.799 2.404 -4.378 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.428 0.933 -4.479 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.535 0.063 -4.092 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.537 -0.263 -4.904 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -23.569 0.208 -6.144 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -24.506 -1.061 -4.477 1.00 0.00 N ATOM 0 H ARG A 68 -19.689 3.757 -7.269 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.280 4.295 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.943 2.672 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.205 3.803 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.992 2.661 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.722 2.586 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.127 0.704 -5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.568 0.731 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.540 -0.316 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.825 0.821 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -24.338 -0.043 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -24.484 -1.426 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -25.274 -1.310 -5.101 1.00 0.00 H new ATOM 1052 N THR A 69 -20.002 6.424 -6.282 1.00 0.00 N ATOM 1053 CA THR A 69 -19.545 7.769 -5.954 1.00 0.00 C ATOM 1054 C THR A 69 -19.626 8.691 -7.168 1.00 0.00 C ATOM 1055 O THR A 69 -18.788 8.619 -8.067 1.00 0.00 O ATOM 1056 CB THR A 69 -18.099 7.759 -5.426 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.840 6.536 -4.727 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.851 8.940 -4.500 1.00 0.00 C ATOM 0 H THR A 69 -19.667 6.072 -7.179 1.00 0.00 H new ATOM 0 HA THR A 69 -20.206 8.144 -5.173 1.00 0.00 H new ATOM 0 HB THR A 69 -17.425 7.839 -6.279 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.784 5.798 -5.369 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.823 8.911 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.019 9.870 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.534 8.887 -3.652 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.639 9.575 -7.211 1.00 0.00 N ATOM 1067 CA PRO A 70 -20.822 10.512 -8.324 1.00 0.00 C ATOM 1068 C PRO A 70 -19.738 11.584 -8.361 1.00 0.00 C ATOM 1069 O PRO A 70 -19.070 11.841 -7.357 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.188 11.143 -8.041 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.367 11.012 -6.568 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.684 9.730 -6.181 1.00 0.00 C ATOM 0 HA PRO A 70 -20.763 10.012 -9.291 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.214 12.187 -8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -22.982 10.629 -8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.928 11.861 -6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.424 10.986 -6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.256 9.789 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.377 8.889 -6.182 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.566 12.205 -9.523 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.560 13.241 -9.669 1.00 0.00 C ATOM 1082 C GLY A 71 -17.162 12.675 -9.817 1.00 0.00 C ATOM 1083 O GLY A 71 -16.176 13.410 -9.752 1.00 0.00 O ATOM 0 H GLY A 71 -20.105 12.009 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.796 13.852 -10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.592 13.899 -8.801 1.00 0.00 H new ATOM 1087 N SER A 72 -17.076 11.364 -10.018 1.00 0.00 N ATOM 1088 CA SER A 72 -15.792 10.695 -10.175 1.00 0.00 C ATOM 1089 C SER A 72 -15.158 11.046 -11.516 1.00 0.00 C ATOM 1090 O SER A 72 -15.810 10.991 -12.559 1.00 0.00 O ATOM 1091 CB SER A 72 -15.967 9.179 -10.064 1.00 0.00 C ATOM 1092 OG SER A 72 -16.786 8.681 -11.109 1.00 0.00 O ATOM 0 H SER A 72 -17.883 10.743 -10.076 1.00 0.00 H new ATOM 0 HA SER A 72 -15.131 11.038 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.992 8.694 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.411 8.931 -9.100 1.00 0.00 H new ATOM 0 HG SER A 72 -16.796 9.322 -11.851 1.00 0.00 H new ATOM 1098 N ARG A 73 -13.879 11.401 -11.479 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.146 11.758 -12.689 1.00 0.00 C ATOM 1100 C ARG A 73 -13.146 10.595 -13.676 1.00 0.00 C ATOM 1101 O ARG A 73 -13.267 10.792 -14.886 1.00 0.00 O ATOM 1102 CB ARG A 73 -11.708 12.151 -12.343 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.535 13.634 -12.058 1.00 0.00 C ATOM 1104 CD ARG A 73 -10.927 14.363 -13.246 1.00 0.00 C ATOM 1105 NE ARG A 73 -10.794 15.796 -12.998 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.661 16.704 -13.438 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.719 16.329 -14.144 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.471 17.989 -13.171 1.00 0.00 N ATOM 0 H ARG A 73 -13.327 11.450 -10.623 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.643 12.610 -13.153 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.384 11.582 -11.472 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.054 11.869 -13.169 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.502 14.074 -11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.897 13.766 -11.184 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.947 13.941 -13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.549 14.204 -14.127 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.992 16.119 -12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.870 15.342 -14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.382 17.028 -14.480 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.659 18.282 -12.628 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.137 18.684 -13.509 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.018 9.383 -13.143 1.00 0.00 N ATOM 1123 CA ASN A 74 -13.010 8.170 -13.960 1.00 0.00 C ATOM 1124 C ASN A 74 -11.978 8.290 -15.063 1.00 0.00 C ATOM 1125 O ASN A 74 -12.094 7.668 -16.119 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.397 7.914 -14.554 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.510 6.546 -15.202 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.755 5.582 -14.689 1.00 0.00 O flip ATOM 1129 ND2 ASN A 74 -15.268 6.359 -16.154 1.00 0.00 N flip ATOM 0 H ASN A 74 -12.918 9.213 -12.142 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.747 7.325 -13.324 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.147 8.003 -13.768 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.619 8.682 -15.295 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.831 7.129 -16.517 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.333 5.434 -16.580 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.955 9.082 -14.789 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.872 9.287 -15.715 1.00 0.00 C ATOM 1138 C LEU A 75 -9.309 7.955 -16.136 1.00 0.00 C ATOM 1139 O LEU A 75 -9.598 7.434 -17.215 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.800 10.084 -14.996 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.937 11.599 -15.140 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.791 12.322 -14.450 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -9.015 11.999 -16.606 1.00 0.00 C ATOM 0 H LEU A 75 -10.859 9.598 -13.915 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.219 9.818 -16.602 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.823 9.828 -13.937 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.824 9.782 -15.375 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.866 11.896 -14.653 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.915 13.398 -14.569 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.790 12.072 -13.389 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.845 12.014 -14.896 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.112 13.082 -16.683 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.108 11.679 -17.119 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.880 11.523 -17.067 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.508 7.430 -15.237 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.853 6.155 -15.379 1.00 0.00 C ATOM 1157 C CYS A 76 -8.712 5.148 -16.142 1.00 0.00 C ATOM 1158 O CYS A 76 -8.189 4.271 -16.832 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.596 5.653 -13.979 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.920 5.017 -13.676 1.00 0.00 S ATOM 0 H CYS A 76 -8.289 7.897 -14.357 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.933 6.271 -15.952 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.791 6.465 -13.278 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.312 4.862 -13.757 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.032 5.280 -16.010 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.962 4.380 -16.680 1.00 0.00 C ATOM 1167 C ASN A 77 -10.591 2.937 -16.378 1.00 0.00 C ATOM 1168 O ASN A 77 -10.328 2.145 -17.284 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.952 4.624 -18.190 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.878 5.752 -18.601 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -11.455 6.720 -19.234 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -13.151 5.633 -18.241 1.00 0.00 N ATOM 0 H ASN A 77 -10.478 6.002 -15.445 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.968 4.575 -16.308 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.937 4.857 -18.511 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.247 3.710 -18.705 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.821 6.361 -18.489 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.458 4.814 -17.717 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.553 2.611 -15.092 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.189 1.271 -14.664 1.00 0.00 C ATOM 1181 C ILE A 78 -11.278 0.631 -13.810 1.00 0.00 C ATOM 1182 O ILE A 78 -12.019 1.325 -13.113 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.863 1.283 -13.875 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.118 1.206 -12.359 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.074 2.528 -14.233 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.198 2.076 -11.525 1.00 0.00 C ATOM 0 H ILE A 78 -10.769 3.255 -14.331 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.066 0.676 -15.569 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.281 0.403 -14.149 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.150 1.495 -12.161 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.010 0.170 -12.037 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.137 2.538 -13.676 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.861 2.529 -15.302 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.656 3.414 -13.978 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.446 1.961 -10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.164 1.774 -11.689 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.322 3.119 -11.816 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.376 -0.709 -13.831 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.356 -1.434 -13.031 1.00 0.00 C ATOM 1200 C PRO A 79 -11.938 -1.441 -11.566 1.00 0.00 C ATOM 1201 O PRO A 79 -10.912 -2.021 -11.208 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.336 -2.857 -13.612 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.438 -2.801 -14.809 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.532 -1.622 -14.605 1.00 0.00 C ATOM 0 HA PRO A 79 -13.349 -0.986 -13.067 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.965 -3.573 -12.879 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.339 -3.179 -13.891 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.862 -3.721 -14.906 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.018 -2.691 -15.725 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.626 -1.895 -14.064 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.218 -1.182 -15.552 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.719 -0.774 -10.728 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.410 -0.681 -9.307 1.00 0.00 C ATOM 1214 C CYS A 80 -12.353 -2.054 -8.639 1.00 0.00 C ATOM 1215 O CYS A 80 -11.321 -2.438 -8.089 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.433 0.214 -8.607 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.767 1.778 -9.487 1.00 0.00 S ATOM 0 H CYS A 80 -13.572 -0.289 -11.007 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.419 -0.238 -9.213 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.367 -0.336 -8.496 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.076 0.442 -7.603 1.00 0.00 H new ATOM 1222 N SER A 81 -13.461 -2.784 -8.677 1.00 0.00 N ATOM 1223 CA SER A 81 -13.530 -4.107 -8.058 1.00 0.00 C ATOM 1224 C SER A 81 -12.533 -5.083 -8.683 1.00 0.00 C ATOM 1225 O SER A 81 -12.164 -6.078 -8.060 1.00 0.00 O ATOM 1226 CB SER A 81 -14.948 -4.670 -8.168 1.00 0.00 C ATOM 1227 OG SER A 81 -15.535 -4.330 -9.413 1.00 0.00 O ATOM 0 H SER A 81 -14.325 -2.485 -9.129 1.00 0.00 H new ATOM 0 HA SER A 81 -13.265 -3.989 -7.007 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.922 -5.754 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.561 -4.282 -7.355 1.00 0.00 H new ATOM 0 HG SER A 81 -16.440 -4.702 -9.460 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.095 -4.799 -9.906 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.138 -5.666 -10.587 1.00 0.00 C ATOM 1235 C ALA A 82 -9.707 -5.250 -10.270 1.00 0.00 C ATOM 1236 O ALA A 82 -8.769 -6.030 -10.436 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.377 -5.654 -12.088 1.00 0.00 C ATOM 0 H ALA A 82 -12.385 -3.982 -10.443 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.285 -6.683 -10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.653 -6.306 -12.577 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.386 -6.009 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.263 -4.638 -12.466 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.552 -4.018 -9.798 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.239 -3.498 -9.437 1.00 0.00 C ATOM 1245 C LEU A 83 -7.919 -3.854 -7.991 1.00 0.00 C ATOM 1246 O LEU A 83 -6.819 -3.602 -7.499 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.182 -1.978 -9.650 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.408 -1.120 -8.401 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.081 -0.744 -7.762 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -9.198 0.131 -8.752 1.00 0.00 C ATOM 0 H LEU A 83 -10.319 -3.361 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.490 -3.956 -10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.208 -1.725 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.930 -1.706 -10.395 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.983 -1.705 -7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.263 -0.135 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.546 -1.649 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.481 -0.178 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.350 0.729 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.646 0.715 -9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.165 -0.154 -9.166 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.898 -4.446 -7.321 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.748 -4.844 -5.930 1.00 0.00 C ATOM 1264 C LEU A 84 -8.566 -6.351 -5.813 1.00 0.00 C ATOM 1265 O LEU A 84 -8.446 -6.892 -4.714 1.00 0.00 O ATOM 1266 CB LEU A 84 -9.967 -4.382 -5.135 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.291 -2.897 -5.293 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.380 -2.480 -4.322 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.039 -2.050 -5.094 1.00 0.00 C ATOM 0 H LEU A 84 -9.810 -4.662 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.855 -4.372 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.833 -4.967 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.801 -4.596 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.657 -2.733 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.596 -1.419 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.282 -3.060 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.045 -2.661 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.291 -0.996 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.640 -2.220 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.290 -2.328 -5.835 1.00 0.00 H new ATOM 1281 N SER A 85 -8.532 -7.017 -6.960 1.00 0.00 N ATOM 1282 CA SER A 85 -8.347 -8.464 -7.005 1.00 0.00 C ATOM 1283 C SER A 85 -6.953 -8.844 -6.531 1.00 0.00 C ATOM 1284 O SER A 85 -6.202 -8.009 -6.028 1.00 0.00 O ATOM 1285 CB SER A 85 -8.571 -8.980 -8.428 1.00 0.00 C ATOM 1286 OG SER A 85 -9.942 -8.918 -8.784 1.00 0.00 O ATOM 0 H SER A 85 -8.630 -6.578 -7.875 1.00 0.00 H new ATOM 0 HA SER A 85 -9.077 -8.923 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.983 -8.388 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.218 -10.009 -8.505 1.00 0.00 H new ATOM 0 HG SER A 85 -10.058 -9.252 -9.698 1.00 0.00 H new ATOM 1292 N SER A 86 -6.616 -10.111 -6.707 1.00 0.00 N ATOM 1293 CA SER A 86 -5.309 -10.622 -6.309 1.00 0.00 C ATOM 1294 C SER A 86 -4.264 -10.275 -7.362 1.00 0.00 C ATOM 1295 O SER A 86 -3.240 -10.947 -7.491 1.00 0.00 O ATOM 1296 CB SER A 86 -5.367 -12.138 -6.109 1.00 0.00 C ATOM 1297 OG SER A 86 -5.508 -12.812 -7.347 1.00 0.00 O ATOM 0 H SER A 86 -7.231 -10.810 -7.125 1.00 0.00 H new ATOM 0 HA SER A 86 -5.028 -10.155 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.460 -12.477 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.204 -12.390 -5.457 1.00 0.00 H new ATOM 0 HG SER A 86 -5.541 -13.779 -7.191 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.543 -9.220 -8.118 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.651 -8.765 -9.173 1.00 0.00 C ATOM 1305 C ASP A 87 -3.379 -7.271 -9.041 1.00 0.00 C ATOM 1306 O ASP A 87 -4.304 -6.458 -9.086 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.276 -9.074 -10.532 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.411 -8.617 -11.690 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -2.173 -8.587 -11.530 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.972 -8.292 -12.757 1.00 0.00 O ATOM 0 H ASP A 87 -5.389 -8.660 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.699 -9.289 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.447 -10.147 -10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.250 -8.590 -10.598 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.110 -6.911 -8.869 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.726 -5.511 -8.723 1.00 0.00 C ATOM 1317 C ILE A 88 -1.637 -4.809 -10.069 1.00 0.00 C ATOM 1318 O ILE A 88 -1.421 -3.602 -10.126 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.368 -5.355 -8.006 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.526 -6.566 -8.273 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.572 -5.154 -6.514 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.997 -6.225 -8.342 1.00 0.00 C ATOM 0 H ILE A 88 -1.331 -7.569 -8.827 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.509 -5.051 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 88 0.131 -4.471 -8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.369 -7.304 -7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.224 -7.031 -9.212 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.396 -5.046 -6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.165 -4.255 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.094 -6.016 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.572 -7.131 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.167 -5.510 -9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.314 -5.788 -7.395 1.00 0.00 H new ATOM 1334 N THR A 89 -1.790 -5.564 -11.151 1.00 0.00 N ATOM 1335 CA THR A 89 -1.713 -4.993 -12.490 1.00 0.00 C ATOM 1336 C THR A 89 -2.600 -3.760 -12.617 1.00 0.00 C ATOM 1337 O THR A 89 -2.147 -2.707 -13.062 1.00 0.00 O ATOM 1338 CB THR A 89 -2.115 -6.018 -13.567 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.236 -7.148 -13.522 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.071 -5.395 -14.955 1.00 0.00 C ATOM 0 H THR A 89 -1.967 -6.568 -11.128 1.00 0.00 H new ATOM 0 HA THR A 89 -0.674 -4.705 -12.648 1.00 0.00 H new ATOM 0 HB THR A 89 -3.136 -6.341 -13.362 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.364 -7.628 -12.677 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.359 -6.139 -15.697 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.762 -4.553 -14.998 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.060 -5.045 -15.165 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.868 -3.899 -12.243 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.815 -2.806 -12.332 1.00 0.00 C ATOM 1350 C ALA A 90 -4.454 -1.648 -11.400 1.00 0.00 C ATOM 1351 O ALA A 90 -4.416 -0.493 -11.825 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.219 -3.307 -12.039 1.00 0.00 C ATOM 0 H ALA A 90 -4.260 -4.765 -11.874 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.774 -2.420 -13.351 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.923 -2.478 -12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.490 -4.075 -12.764 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.253 -3.728 -11.034 1.00 0.00 H new ATOM 1358 N SER A 91 -4.184 -1.958 -10.132 1.00 0.00 N ATOM 1359 CA SER A 91 -3.824 -0.934 -9.152 1.00 0.00 C ATOM 1360 C SER A 91 -2.548 -0.211 -9.556 1.00 0.00 C ATOM 1361 O SER A 91 -2.388 0.984 -9.299 1.00 0.00 O ATOM 1362 CB SER A 91 -3.642 -1.563 -7.769 1.00 0.00 C ATOM 1363 OG SER A 91 -4.257 -2.837 -7.701 1.00 0.00 O ATOM 0 H SER A 91 -4.208 -2.908 -9.760 1.00 0.00 H new ATOM 0 HA SER A 91 -4.636 -0.208 -9.116 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.579 -1.657 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.070 -0.909 -7.010 1.00 0.00 H new ATOM 0 HG SER A 91 -4.125 -3.217 -6.807 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.644 -0.939 -10.192 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.389 -0.351 -10.620 1.00 0.00 C ATOM 1371 C VAL A 92 -0.552 0.395 -11.927 1.00 0.00 C ATOM 1372 O VAL A 92 0.090 1.413 -12.133 1.00 0.00 O ATOM 1373 CB VAL A 92 0.747 -1.380 -10.769 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.971 -0.725 -11.406 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.099 -1.987 -9.419 1.00 0.00 C ATOM 0 H VAL A 92 -1.755 -1.927 -10.420 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.108 0.342 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 92 0.407 -2.184 -11.422 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.767 -1.462 -11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.707 -0.340 -12.391 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.314 0.096 -10.776 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.904 -2.712 -9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.423 -1.199 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.223 -2.486 -9.005 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.404 -0.102 -12.810 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.620 0.553 -14.069 1.00 0.00 C ATOM 1387 C ASN A 93 -2.106 1.971 -13.835 1.00 0.00 C ATOM 1388 O ASN A 93 -1.663 2.918 -14.489 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.613 -0.239 -14.898 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.781 0.596 -15.390 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.675 1.302 -16.393 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.903 0.517 -14.685 1.00 0.00 N ATOM 0 H ASN A 93 -1.949 -0.952 -12.670 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.681 0.603 -14.621 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.097 -0.672 -15.755 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.993 -1.069 -14.303 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.722 1.055 -14.968 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.946 -0.081 -13.860 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.008 2.105 -12.873 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.551 3.399 -12.522 1.00 0.00 C ATOM 1401 C CYS A 94 -2.467 4.283 -11.927 1.00 0.00 C ATOM 1402 O CYS A 94 -2.313 5.437 -12.326 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.707 3.254 -11.539 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.954 4.568 -11.695 1.00 0.00 S ATOM 0 H CYS A 94 -3.377 1.329 -12.324 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.929 3.866 -13.431 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.187 2.287 -11.693 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.313 3.256 -10.523 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.712 3.744 -10.969 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.652 4.523 -10.348 1.00 0.00 C ATOM 1411 C ALA A 95 0.456 4.779 -11.349 1.00 0.00 C ATOM 1412 O ALA A 95 1.097 5.822 -11.322 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.111 3.852 -9.111 1.00 0.00 C ATOM 0 H ALA A 95 -1.814 2.793 -10.616 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.077 5.477 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.678 4.467 -8.679 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.913 3.728 -8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.294 2.875 -9.375 1.00 0.00 H new ATOM 1419 N LYS A 96 0.659 3.826 -12.252 1.00 0.00 N ATOM 1420 CA LYS A 96 1.667 3.971 -13.286 1.00 0.00 C ATOM 1421 C LYS A 96 1.403 5.296 -13.986 1.00 0.00 C ATOM 1422 O LYS A 96 2.314 6.064 -14.307 1.00 0.00 O ATOM 1423 CB LYS A 96 1.583 2.818 -14.291 1.00 0.00 C ATOM 1424 CG LYS A 96 2.500 1.652 -13.957 1.00 0.00 C ATOM 1425 CD LYS A 96 2.648 0.705 -15.136 1.00 0.00 C ATOM 1426 CE LYS A 96 1.672 -0.457 -15.046 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.356 -1.731 -14.693 1.00 0.00 N ATOM 0 H LYS A 96 0.139 2.949 -12.286 1.00 0.00 H new ATOM 0 HA LYS A 96 2.665 3.951 -12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.555 2.460 -14.335 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.833 3.193 -15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.480 2.030 -13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.102 1.109 -13.100 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.481 1.250 -16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.668 0.322 -15.170 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.911 -0.234 -14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.157 -0.574 -16.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.708 -2.333 -14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.639 -2.226 -15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.201 -1.525 -14.122 1.00 0.00 H new ATOM 1441 N LYS A 97 0.112 5.557 -14.158 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.363 6.789 -14.762 1.00 0.00 C ATOM 1443 C LYS A 97 -0.306 7.915 -13.737 1.00 0.00 C ATOM 1444 O LYS A 97 -0.074 9.075 -14.081 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.791 6.619 -15.282 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.910 6.755 -16.792 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.132 7.569 -17.183 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.063 8.016 -18.634 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.086 6.860 -19.573 1.00 0.00 N ATOM 0 H LYS A 97 -0.633 4.917 -13.881 1.00 0.00 H new ATOM 0 HA LYS A 97 0.279 7.038 -15.607 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.163 5.639 -14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.432 7.362 -14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.013 7.231 -17.187 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.971 5.765 -17.244 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.032 6.974 -17.027 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.211 8.442 -16.536 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.903 8.676 -18.851 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.153 8.595 -18.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.089 7.209 -20.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.244 6.270 -19.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.942 6.293 -19.405 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.502 7.556 -12.467 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.455 8.529 -11.385 1.00 0.00 C ATOM 1465 C ILE A 98 0.925 9.175 -11.319 1.00 0.00 C ATOM 1466 O ILE A 98 1.057 10.400 -11.289 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.799 7.893 -10.023 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.289 7.532 -9.974 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.442 8.843 -8.886 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.690 6.771 -8.727 1.00 0.00 C ATOM 0 H ILE A 98 -0.694 6.600 -12.167 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.207 9.289 -11.597 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.214 6.981 -9.903 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.878 8.447 -10.036 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.538 6.933 -10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.691 8.379 -7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.626 9.061 -8.916 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.005 9.770 -8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.757 6.551 -8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.128 5.838 -8.674 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.474 7.376 -7.846 1.00 0.00 H new ATOM 1482 N VAL A 99 1.945 8.328 -11.300 1.00 0.00 N ATOM 1483 CA VAL A 99 3.328 8.774 -11.242 1.00 0.00 C ATOM 1484 C VAL A 99 3.785 9.330 -12.588 1.00 0.00 C ATOM 1485 O VAL A 99 4.747 10.096 -12.656 1.00 0.00 O ATOM 1486 CB VAL A 99 4.262 7.623 -10.825 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.353 6.577 -11.925 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.642 8.154 -10.467 1.00 0.00 C ATOM 0 H VAL A 99 1.836 7.314 -11.324 1.00 0.00 H new ATOM 0 HA VAL A 99 3.380 9.566 -10.495 1.00 0.00 H new ATOM 0 HB VAL A 99 3.842 7.146 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.018 5.773 -11.609 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.361 6.170 -12.123 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.745 7.036 -12.832 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.286 7.325 -10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.072 8.661 -11.331 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.558 8.857 -9.638 1.00 0.00 H new ATOM 1498 N SER A 100 3.087 8.953 -13.659 1.00 0.00 N ATOM 1499 CA SER A 100 3.425 9.432 -14.995 1.00 0.00 C ATOM 1500 C SER A 100 2.754 10.774 -15.276 1.00 0.00 C ATOM 1501 O SER A 100 3.066 11.442 -16.262 1.00 0.00 O ATOM 1502 CB SER A 100 3.005 8.409 -16.052 1.00 0.00 C ATOM 1503 OG SER A 100 3.450 8.796 -17.341 1.00 0.00 O ATOM 0 H SER A 100 2.288 8.320 -13.626 1.00 0.00 H new ATOM 0 HA SER A 100 4.506 9.567 -15.041 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.416 7.431 -15.800 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.920 8.308 -16.054 1.00 0.00 H new ATOM 0 HG SER A 100 3.542 9.771 -17.376 1.00 0.00 H new ATOM 1509 N ASP A 101 1.832 11.162 -14.399 1.00 0.00 N ATOM 1510 CA ASP A 101 1.115 12.424 -14.551 1.00 0.00 C ATOM 1511 C ASP A 101 0.544 12.900 -13.218 1.00 0.00 C ATOM 1512 O ASP A 101 -0.625 12.660 -12.913 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.010 12.274 -15.576 1.00 0.00 C ATOM 1514 CG ASP A 101 0.009 13.371 -16.621 1.00 0.00 C ATOM 1515 OD1 ASP A 101 1.003 13.459 -17.372 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.969 14.144 -16.690 1.00 0.00 O ATOM 0 H ASP A 101 1.564 10.621 -13.577 1.00 0.00 H new ATOM 0 HA ASP A 101 1.825 13.172 -14.904 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.078 11.306 -16.068 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.971 12.284 -15.061 1.00 0.00 H new ATOM 1521 N GLY A 102 1.376 13.573 -12.428 1.00 0.00 N ATOM 1522 CA GLY A 102 0.935 14.071 -11.137 1.00 0.00 C ATOM 1523 C GLY A 102 2.068 14.137 -10.131 1.00 0.00 C ATOM 1524 O GLY A 102 2.784 15.134 -10.054 1.00 0.00 O ATOM 0 H GLY A 102 2.347 13.782 -12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.503 15.064 -11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.146 13.426 -10.751 1.00 0.00 H new ATOM 1528 N ASN A 103 2.232 13.065 -9.364 1.00 0.00 N ATOM 1529 CA ASN A 103 3.287 12.991 -8.360 1.00 0.00 C ATOM 1530 C ASN A 103 3.736 11.546 -8.171 1.00 0.00 C ATOM 1531 O ASN A 103 2.949 10.617 -8.352 1.00 0.00 O ATOM 1532 CB ASN A 103 2.802 13.569 -7.030 1.00 0.00 C ATOM 1533 CG ASN A 103 2.825 15.085 -7.017 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.804 15.731 -6.781 1.00 0.00 O ATOM 1535 ND2 ASN A 103 3.994 15.661 -7.270 1.00 0.00 N ATOM 0 H ASN A 103 1.645 12.232 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 103 4.135 13.581 -8.707 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.787 13.222 -6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.429 13.192 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.071 16.678 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.815 15.086 -7.460 1.00 0.00 H new ATOM 1542 N GLY A 104 5.004 11.356 -7.817 1.00 0.00 N ATOM 1543 CA GLY A 104 5.525 10.017 -7.625 1.00 0.00 C ATOM 1544 C GLY A 104 5.072 9.386 -6.325 1.00 0.00 C ATOM 1545 O GLY A 104 3.878 9.323 -6.043 1.00 0.00 O ATOM 0 H GLY A 104 5.678 12.105 -7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.209 9.388 -8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.614 10.051 -7.646 1.00 0.00 H new ATOM 1549 N MET A 105 6.034 8.928 -5.526 1.00 0.00 N ATOM 1550 CA MET A 105 5.740 8.305 -4.243 1.00 0.00 C ATOM 1551 C MET A 105 5.356 9.372 -3.242 1.00 0.00 C ATOM 1552 O MET A 105 4.885 9.081 -2.142 1.00 0.00 O ATOM 1553 CB MET A 105 6.957 7.536 -3.729 1.00 0.00 C ATOM 1554 CG MET A 105 7.848 6.989 -4.831 1.00 0.00 C ATOM 1555 SD MET A 105 6.948 5.970 -6.013 1.00 0.00 S ATOM 1556 CE MET A 105 6.006 4.936 -4.898 1.00 0.00 C ATOM 0 H MET A 105 7.028 8.979 -5.749 1.00 0.00 H new ATOM 0 HA MET A 105 4.914 7.606 -4.373 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.547 8.193 -3.090 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.616 6.709 -3.106 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.318 7.819 -5.358 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.649 6.399 -4.385 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.937 3.928 -5.307 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.502 4.901 -3.928 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.004 5.348 -4.779 1.00 0.00 H new ATOM 1566 N ASN A 106 5.571 10.615 -3.642 1.00 0.00 N ATOM 1567 CA ASN A 106 5.266 11.759 -2.812 1.00 0.00 C ATOM 1568 C ASN A 106 3.766 12.022 -2.773 1.00 0.00 C ATOM 1569 O ASN A 106 3.247 12.559 -1.793 1.00 0.00 O ATOM 1570 CB ASN A 106 6.006 12.977 -3.356 1.00 0.00 C ATOM 1571 CG ASN A 106 7.377 13.154 -2.730 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.497 13.404 -1.532 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.418 13.024 -3.543 1.00 0.00 N ATOM 0 H ASN A 106 5.962 10.855 -4.553 1.00 0.00 H new ATOM 0 HA ASN A 106 5.591 11.556 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.114 12.880 -4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.409 13.871 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.365 13.132 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.271 12.816 -4.531 1.00 0.00 H new ATOM 1580 N ALA A 107 3.071 11.645 -3.845 1.00 0.00 N ATOM 1581 CA ALA A 107 1.628 11.843 -3.929 1.00 0.00 C ATOM 1582 C ALA A 107 0.921 11.216 -2.736 1.00 0.00 C ATOM 1583 O ALA A 107 0.065 11.839 -2.108 1.00 0.00 O ATOM 1584 CB ALA A 107 1.092 11.257 -5.226 1.00 0.00 C ATOM 0 H ALA A 107 3.484 11.202 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 107 1.430 12.915 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.014 11.411 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.569 11.750 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.308 10.189 -5.259 1.00 0.00 H new ATOM 1590 N TRP A 108 1.286 9.977 -2.433 1.00 0.00 N ATOM 1591 CA TRP A 108 0.692 9.256 -1.320 1.00 0.00 C ATOM 1592 C TRP A 108 1.318 9.693 0.001 1.00 0.00 C ATOM 1593 O TRP A 108 2.520 9.944 0.085 1.00 0.00 O ATOM 1594 CB TRP A 108 0.835 7.751 -1.543 1.00 0.00 C ATOM 1595 CG TRP A 108 0.212 7.305 -2.833 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -1.111 7.049 -3.059 1.00 0.00 C ATOM 1597 CD2 TRP A 108 0.881 7.079 -4.081 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.304 6.675 -4.368 1.00 0.00 N ATOM 1599 CE2 TRP A 108 -0.096 6.683 -5.017 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.211 7.170 -4.496 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.218 6.381 -6.343 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.521 6.870 -5.809 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.530 6.481 -6.718 1.00 0.00 C ATOM 0 H TRP A 108 1.993 9.451 -2.946 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.371 9.492 -1.266 1.00 0.00 H new ATOM 0 HB2 TRP A 108 1.892 7.484 -1.541 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.370 7.217 -0.714 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.892 7.129 -2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.201 6.431 -4.788 1.00 0.00 H new ATOM 0 HE3 TRP A 108 2.984 7.469 -3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.545 6.080 -7.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.547 6.937 -6.140 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.807 6.255 -7.737 1.00 0.00 H new ATOM 1614 N VAL A 109 0.473 9.822 1.016 1.00 0.00 N ATOM 1615 CA VAL A 109 0.897 10.278 2.339 1.00 0.00 C ATOM 1616 C VAL A 109 1.568 9.200 3.179 1.00 0.00 C ATOM 1617 O VAL A 109 2.255 9.513 4.152 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.287 10.803 3.135 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.155 11.881 4.113 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.387 11.314 2.217 1.00 0.00 C ATOM 0 H VAL A 109 -0.523 9.615 0.949 1.00 0.00 H new ATOM 0 HA VAL A 109 1.627 11.062 2.141 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.698 9.973 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.709 12.242 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.887 11.466 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.604 12.709 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.219 11.682 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.998 12.124 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.733 10.503 1.576 1.00 0.00 H new ATOM 1630 N ALA A 110 1.386 7.942 2.816 1.00 0.00 N ATOM 1631 CA ALA A 110 2.003 6.855 3.568 1.00 0.00 C ATOM 1632 C ALA A 110 3.496 6.798 3.296 1.00 0.00 C ATOM 1633 O ALA A 110 4.286 6.455 4.175 1.00 0.00 O ATOM 1634 CB ALA A 110 1.343 5.528 3.235 1.00 0.00 C ATOM 0 H ALA A 110 0.825 7.647 2.017 1.00 0.00 H new ATOM 0 HA ALA A 110 1.857 7.048 4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.819 4.731 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.284 5.574 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.452 5.325 2.170 1.00 0.00 H new ATOM 1640 N TRP A 111 3.879 7.166 2.082 1.00 0.00 N ATOM 1641 CA TRP A 111 5.283 7.186 1.717 1.00 0.00 C ATOM 1642 C TRP A 111 5.917 8.459 2.258 1.00 0.00 C ATOM 1643 O TRP A 111 7.080 8.465 2.659 1.00 0.00 O ATOM 1644 CB TRP A 111 5.458 7.087 0.198 1.00 0.00 C ATOM 1645 CG TRP A 111 6.892 7.115 -0.245 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.682 6.039 -0.527 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.703 8.277 -0.460 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.935 6.459 -0.904 1.00 0.00 N ATOM 1649 CE2 TRP A 111 8.973 7.828 -0.870 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.480 9.652 -0.347 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.014 8.705 -1.166 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.514 10.522 -0.641 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.767 10.045 -1.046 1.00 0.00 C ATOM 0 H TRP A 111 3.241 7.452 1.340 1.00 0.00 H new ATOM 0 HA TRP A 111 5.781 6.321 2.155 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.996 6.164 -0.153 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.924 7.911 -0.275 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.368 5.008 -0.463 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.710 5.851 -1.166 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.517 10.029 -0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.981 8.340 -1.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.353 11.587 -0.557 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.555 10.750 -1.268 1.00 0.00 H new ATOM 1664 N ARG A 112 5.136 9.538 2.293 1.00 0.00 N ATOM 1665 CA ARG A 112 5.612 10.810 2.815 1.00 0.00 C ATOM 1666 C ARG A 112 5.285 10.934 4.297 1.00 0.00 C ATOM 1667 O ARG A 112 4.775 11.959 4.750 1.00 0.00 O ATOM 1668 CB ARG A 112 4.965 11.959 2.061 1.00 0.00 C ATOM 1669 CG ARG A 112 5.859 12.582 1.002 1.00 0.00 C ATOM 1670 CD ARG A 112 5.460 14.020 0.714 1.00 0.00 C ATOM 1671 NE ARG A 112 6.609 14.921 0.728 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.738 15.966 -0.084 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.791 16.241 -0.972 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.813 16.738 -0.008 1.00 0.00 N ATOM 0 H ARG A 112 4.170 9.552 1.965 1.00 0.00 H new ATOM 0 HA ARG A 112 6.693 10.851 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.052 11.600 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.672 12.729 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.896 12.551 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.801 11.996 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 112 4.970 14.072 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.732 14.349 1.455 1.00 0.00 H new ATOM 0 HE ARG A 112 7.355 14.738 1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.962 15.650 -1.033 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.892 17.043 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.543 16.531 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.911 17.539 -0.632 1.00 0.00 H new ATOM 1688 N ASN A 113 5.589 9.891 5.049 1.00 0.00 N ATOM 1689 CA ASN A 113 5.339 9.886 6.484 1.00 0.00 C ATOM 1690 C ASN A 113 6.292 8.935 7.195 1.00 0.00 C ATOM 1691 O ASN A 113 7.025 9.334 8.101 1.00 0.00 O ATOM 1692 CB ASN A 113 3.891 9.482 6.769 1.00 0.00 C ATOM 1693 CG ASN A 113 3.430 9.919 8.146 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.092 9.090 8.991 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.416 11.226 8.378 1.00 0.00 N ATOM 0 H ASN A 113 6.010 9.034 4.691 1.00 0.00 H new ATOM 0 HA ASN A 113 5.508 10.894 6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.239 9.921 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.795 8.400 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.116 11.579 9.287 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.705 11.877 7.648 1.00 0.00 H new ATOM 1702 N ARG A 114 6.264 7.674 6.788 1.00 0.00 N ATOM 1703 CA ARG A 114 7.111 6.656 7.393 1.00 0.00 C ATOM 1704 C ARG A 114 8.116 6.083 6.397 1.00 0.00 C ATOM 1705 O ARG A 114 8.830 5.130 6.710 1.00 0.00 O ATOM 1706 CB ARG A 114 6.246 5.533 7.953 1.00 0.00 C ATOM 1707 CG ARG A 114 5.840 5.738 9.403 1.00 0.00 C ATOM 1708 CD ARG A 114 6.873 5.160 10.357 1.00 0.00 C ATOM 1709 NE ARG A 114 7.335 6.150 11.327 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.632 6.523 12.392 1.00 0.00 C ATOM 1711 NH1 ARG A 114 5.439 5.992 12.624 1.00 0.00 N ATOM 1712 NH2 ARG A 114 7.122 7.429 13.228 1.00 0.00 N ATOM 0 H ARG A 114 5.662 7.331 6.039 1.00 0.00 H new ATOM 0 HA ARG A 114 7.674 7.130 8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.347 5.440 7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.788 4.591 7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.716 6.803 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.874 5.266 9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.443 4.308 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.724 4.786 9.787 1.00 0.00 H new ATOM 0 HE ARG A 114 8.248 6.579 11.179 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.058 5.295 11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.903 6.281 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.039 7.840 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.582 7.714 14.045 1.00 0.00 H new ATOM 1726 N CYS A 115 8.166 6.653 5.199 1.00 0.00 N ATOM 1727 CA CYS A 115 9.086 6.173 4.173 1.00 0.00 C ATOM 1728 C CYS A 115 10.160 7.207 3.852 1.00 0.00 C ATOM 1729 O CYS A 115 11.350 6.892 3.852 1.00 0.00 O ATOM 1730 CB CYS A 115 8.319 5.803 2.906 1.00 0.00 C ATOM 1731 SG CYS A 115 7.439 4.215 3.015 1.00 0.00 S ATOM 0 H CYS A 115 7.586 7.442 4.915 1.00 0.00 H new ATOM 0 HA CYS A 115 9.583 5.286 4.565 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.600 6.592 2.685 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.016 5.764 2.069 1.00 0.00 H new ATOM 1736 N LYS A 116 9.738 8.435 3.572 1.00 0.00 N ATOM 1737 CA LYS A 116 10.671 9.505 3.242 1.00 0.00 C ATOM 1738 C LYS A 116 11.636 9.767 4.393 1.00 0.00 C ATOM 1739 O LYS A 116 11.354 10.569 5.283 1.00 0.00 O ATOM 1740 CB LYS A 116 9.908 10.787 2.900 1.00 0.00 C ATOM 1741 CG LYS A 116 10.738 11.802 2.130 1.00 0.00 C ATOM 1742 CD LYS A 116 10.562 13.204 2.690 1.00 0.00 C ATOM 1743 CE LYS A 116 11.880 13.775 3.186 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.682 14.762 4.283 1.00 0.00 N ATOM 0 H LYS A 116 8.757 8.714 3.567 1.00 0.00 H new ATOM 0 HA LYS A 116 11.250 9.190 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.027 10.530 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.553 11.246 3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.790 11.521 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.448 11.789 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.149 13.855 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.843 13.182 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.517 12.964 3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.403 14.253 2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.605 15.127 4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.096 15.549 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.206 14.300 5.084 1.00 0.00 H new ATOM 1758 N GLY A 117 12.779 9.087 4.367 1.00 0.00 N ATOM 1759 CA GLY A 117 13.769 9.264 5.413 1.00 0.00 C ATOM 1760 C GLY A 117 14.282 7.950 5.969 1.00 0.00 C ATOM 1761 O GLY A 117 15.029 7.938 6.947 1.00 0.00 O ATOM 0 H GLY A 117 13.036 8.418 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.608 9.838 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.334 9.850 6.223 1.00 0.00 H new ATOM 1765 N THR A 118 13.884 6.840 5.351 1.00 0.00 N ATOM 1766 CA THR A 118 14.317 5.521 5.800 1.00 0.00 C ATOM 1767 C THR A 118 15.156 4.827 4.729 1.00 0.00 C ATOM 1768 O THR A 118 15.832 5.487 3.939 1.00 0.00 O ATOM 1769 CB THR A 118 13.111 4.630 6.159 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.259 4.477 5.018 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.321 5.229 7.311 1.00 0.00 C ATOM 0 H THR A 118 13.264 6.829 4.541 1.00 0.00 H new ATOM 0 HA THR A 118 14.926 5.668 6.692 1.00 0.00 H new ATOM 0 HB THR A 118 13.486 3.654 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.944 5.357 4.725 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.475 4.583 7.547 1.00 0.00 H new ATOM 0 HG22 THR A 118 12.965 5.318 8.186 1.00 0.00 H new ATOM 0 HG23 THR A 118 11.956 6.216 7.027 1.00 0.00 H new ATOM 1779 N ASP A 119 15.113 3.496 4.705 1.00 0.00 N ATOM 1780 CA ASP A 119 15.874 2.728 3.727 1.00 0.00 C ATOM 1781 C ASP A 119 14.999 1.714 3.002 1.00 0.00 C ATOM 1782 O ASP A 119 14.766 0.609 3.493 1.00 0.00 O ATOM 1783 CB ASP A 119 17.031 2.027 4.394 1.00 0.00 C ATOM 1784 CG ASP A 119 18.216 1.847 3.467 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.562 2.810 2.752 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.801 0.743 3.457 1.00 0.00 O ATOM 0 H ASP A 119 14.561 2.931 5.350 1.00 0.00 H new ATOM 0 HA ASP A 119 16.257 3.430 2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.342 2.599 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.702 1.051 4.751 1.00 0.00 H new ATOM 1791 N VAL A 120 14.524 2.101 1.826 1.00 0.00 N ATOM 1792 CA VAL A 120 13.676 1.243 1.011 1.00 0.00 C ATOM 1793 C VAL A 120 14.484 0.096 0.420 1.00 0.00 C ATOM 1794 O VAL A 120 13.988 -1.022 0.288 1.00 0.00 O ATOM 1795 CB VAL A 120 13.008 2.034 -0.129 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.040 3.064 0.431 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.057 2.702 -1.006 1.00 0.00 C ATOM 0 H VAL A 120 14.714 3.014 1.412 1.00 0.00 H new ATOM 0 HA VAL A 120 12.898 0.843 1.662 1.00 0.00 H new ATOM 0 HB VAL A 120 12.444 1.335 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.578 3.613 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.267 2.559 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.580 3.759 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.564 3.256 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.652 3.388 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.707 1.942 -1.439 1.00 0.00 H new ATOM 1807 N GLN A 121 15.739 0.379 0.079 1.00 0.00 N ATOM 1808 CA GLN A 121 16.619 -0.637 -0.479 1.00 0.00 C ATOM 1809 C GLN A 121 16.765 -1.781 0.513 1.00 0.00 C ATOM 1810 O GLN A 121 17.088 -2.910 0.142 1.00 0.00 O ATOM 1811 CB GLN A 121 17.989 -0.041 -0.804 1.00 0.00 C ATOM 1812 CG GLN A 121 17.932 1.112 -1.793 1.00 0.00 C ATOM 1813 CD GLN A 121 18.771 2.297 -1.355 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.544 2.875 -0.292 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.748 2.665 -2.176 1.00 0.00 N ATOM 0 H GLN A 121 16.165 1.300 0.180 1.00 0.00 H new ATOM 0 HA GLN A 121 16.184 -1.015 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.453 0.306 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.630 -0.824 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.277 0.767 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 121 16.897 1.430 -1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.900 2.157 -3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.346 3.456 -1.935 1.00 0.00 H new ATOM 1824 N ALA A 122 16.506 -1.473 1.780 1.00 0.00 N ATOM 1825 CA ALA A 122 16.586 -2.458 2.845 1.00 0.00 C ATOM 1826 C ALA A 122 15.240 -3.146 3.039 1.00 0.00 C ATOM 1827 O ALA A 122 15.173 -4.259 3.559 1.00 0.00 O ATOM 1828 CB ALA A 122 17.042 -1.804 4.140 1.00 0.00 C ATOM 0 H ALA A 122 16.237 -0.540 2.092 1.00 0.00 H new ATOM 0 HA ALA A 122 17.320 -3.213 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.097 -2.556 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.026 -1.358 3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.331 -1.029 4.426 1.00 0.00 H new ATOM 1834 N TRP A 123 14.167 -2.476 2.615 1.00 0.00 N ATOM 1835 CA TRP A 123 12.823 -3.035 2.744 1.00 0.00 C ATOM 1836 C TRP A 123 12.697 -4.352 1.978 1.00 0.00 C ATOM 1837 O TRP A 123 11.777 -5.134 2.219 1.00 0.00 O ATOM 1838 CB TRP A 123 11.776 -2.040 2.242 1.00 0.00 C ATOM 1839 CG TRP A 123 11.259 -1.127 3.312 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.214 0.235 3.275 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.711 -1.510 4.580 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.675 0.720 4.442 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.359 -0.337 5.255 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.483 -2.732 5.210 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 9.795 -0.359 6.522 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 9.923 -2.751 6.467 1.00 0.00 C ATOM 1847 CH2 TRP A 123 9.584 -1.568 7.114 1.00 0.00 C ATOM 0 H TRP A 123 14.203 -1.553 2.183 1.00 0.00 H new ATOM 0 HA TRP A 123 12.647 -3.233 3.801 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.210 -1.440 1.442 1.00 0.00 H new ATOM 0 HB3 TRP A 123 10.940 -2.591 1.810 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.552 0.844 2.449 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.533 1.705 4.666 1.00 0.00 H new ATOM 0 HE3 TRP A 123 10.744 -3.656 4.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.530 0.558 7.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 9.745 -3.697 6.957 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.147 -1.608 8.101 1.00 0.00 H new ATOM 1858 N ILE A 124 13.632 -4.594 1.064 1.00 0.00 N ATOM 1859 CA ILE A 124 13.629 -5.820 0.270 1.00 0.00 C ATOM 1860 C ILE A 124 14.956 -6.557 0.408 1.00 0.00 C ATOM 1861 O ILE A 124 15.254 -7.475 -0.354 1.00 0.00 O ATOM 1862 CB ILE A 124 13.364 -5.532 -1.219 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.186 -4.331 -1.688 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.880 -5.296 -1.459 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.013 -4.609 -2.924 1.00 0.00 C ATOM 0 H ILE A 124 14.401 -3.958 0.854 1.00 0.00 H new ATOM 0 HA ILE A 124 12.822 -6.445 0.653 1.00 0.00 H new ATOM 0 HB ILE A 124 13.671 -6.402 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.513 -3.498 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 124 14.848 -4.017 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.710 -5.094 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.318 -6.182 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.547 -4.442 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.569 -3.713 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.711 -5.421 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.355 -4.894 -3.745 1.00 0.00 H new ATOM 1877 N ARG A 125 15.747 -6.140 1.391 1.00 0.00 N ATOM 1878 CA ARG A 125 17.048 -6.750 1.643 1.00 0.00 C ATOM 1879 C ARG A 125 16.892 -8.192 2.117 1.00 0.00 C ATOM 1880 O ARG A 125 16.764 -8.452 3.314 1.00 0.00 O ATOM 1881 CB ARG A 125 17.822 -5.939 2.685 1.00 0.00 C ATOM 1882 CG ARG A 125 19.275 -6.358 2.826 1.00 0.00 C ATOM 1883 CD ARG A 125 20.169 -5.605 1.853 1.00 0.00 C ATOM 1884 NE ARG A 125 21.584 -5.763 2.177 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.316 -6.808 1.801 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.767 -7.785 1.092 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.597 -6.876 2.135 1.00 0.00 N ATOM 0 H ARG A 125 15.509 -5.380 2.028 1.00 0.00 H new ATOM 0 HA ARG A 125 17.606 -6.753 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.782 -4.884 2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.328 -6.040 3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.610 -6.174 3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.365 -7.430 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.986 -5.964 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.910 -4.546 1.867 1.00 0.00 H new ATOM 0 HE ARG A 125 22.037 -5.030 2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.781 -7.736 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.330 -8.585 0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.022 -6.127 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.157 -7.678 1.846 1.00 0.00 H new ATOM 1901 N GLY A 126 16.905 -9.127 1.171 1.00 0.00 N ATOM 1902 CA GLY A 126 16.766 -10.531 1.513 1.00 0.00 C ATOM 1903 C GLY A 126 15.725 -11.238 0.666 1.00 0.00 C ATOM 1904 O GLY A 126 15.575 -12.458 0.748 1.00 0.00 O ATOM 0 H GLY A 126 17.009 -8.937 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.728 -11.028 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.494 -10.620 2.565 1.00 0.00 H new ATOM 1908 N CYS A 127 15.004 -10.472 -0.147 1.00 0.00 N ATOM 1909 CA CYS A 127 13.972 -11.030 -1.008 1.00 0.00 C ATOM 1910 C CYS A 127 14.576 -11.839 -2.151 1.00 0.00 C ATOM 1911 O CYS A 127 15.769 -12.150 -2.141 1.00 0.00 O ATOM 1912 CB CYS A 127 13.096 -9.920 -1.551 1.00 0.00 C ATOM 1913 SG CYS A 127 11.646 -9.545 -0.514 1.00 0.00 S ATOM 0 H CYS A 127 15.117 -9.461 -0.226 1.00 0.00 H new ATOM 0 HA CYS A 127 13.362 -11.708 -0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.697 -9.017 -1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.755 -10.196 -2.549 1.00 0.00 H new ATOM 1918 N ARG A 128 13.749 -12.179 -3.135 1.00 0.00 N ATOM 1919 CA ARG A 128 14.205 -12.955 -4.283 1.00 0.00 C ATOM 1920 C ARG A 128 13.818 -12.273 -5.591 1.00 0.00 C ATOM 1921 O ARG A 128 12.838 -12.652 -6.235 1.00 0.00 O ATOM 1922 CB ARG A 128 13.619 -14.367 -4.236 1.00 0.00 C ATOM 1923 CG ARG A 128 14.239 -15.248 -3.163 1.00 0.00 C ATOM 1924 CD ARG A 128 13.402 -16.491 -2.910 1.00 0.00 C ATOM 1925 NE ARG A 128 13.470 -17.432 -4.025 1.00 0.00 N ATOM 1926 CZ ARG A 128 12.771 -18.562 -4.080 1.00 0.00 C ATOM 1927 NH1 ARG A 128 11.954 -18.891 -3.088 1.00 0.00 N ATOM 1928 NH2 ARG A 128 12.889 -19.366 -5.129 1.00 0.00 N ATOM 0 H ARG A 128 12.760 -11.929 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 128 15.292 -13.019 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.545 -14.300 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.757 -14.841 -5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.244 -15.541 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.338 -14.681 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.747 -16.982 -2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.365 -16.202 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 128 14.088 -17.210 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.860 -18.276 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.420 -19.759 -3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.516 -19.118 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.352 -20.233 -5.170 1.00 0.00 H new ATOM 1942 N LEU A 129 14.592 -11.264 -5.978 1.00 0.00 N ATOM 1943 CA LEU A 129 14.331 -10.528 -7.209 1.00 0.00 C ATOM 1944 C LEU A 129 15.452 -10.745 -8.221 1.00 0.00 C ATOM 1945 O LEU A 129 15.158 -11.239 -9.330 1.00 0.00 O ATOM 1946 CB LEU A 129 14.178 -9.036 -6.911 1.00 0.00 C ATOM 1947 CG LEU A 129 12.963 -8.668 -6.060 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.214 -7.376 -5.299 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.722 -8.543 -6.932 1.00 0.00 C ATOM 1950 OXT LEU A 129 16.612 -10.417 -7.896 1.00 0.00 O ATOM 0 H LEU A 129 15.405 -10.938 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 129 13.402 -10.903 -7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 129 15.077 -8.688 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 129 14.117 -8.497 -7.856 1.00 0.00 H new ATOM 0 HG LEU A 129 12.796 -9.465 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.338 -7.131 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.078 -7.500 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.407 -6.569 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.866 -8.281 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.880 -7.766 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.531 -9.493 -7.431 1.00 0.00 H new