USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 794 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 54 LYS NZ :NH3+ -164:sc= -0.0155 (180deg=-0.358) USER MOD Set 1.2: A 97 TYR OH : rot 120:sc= -1.51! USER MOD Single : A 11 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.5) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 78:sc= 0.0651 USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.456) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 31 THR OG1 : rot -85:sc= 0.833 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -142:sc= -0.0739 (180deg=-0.262) USER MOD Single : A 42 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.54) USER MOD Single : A 46 TYR OH : rot 40:sc= -2.36! USER MOD Single : A 47 CYS SG : rot 81:sc= -1.91! USER MOD Single : A 48 THR OG1 : rot 75:sc= 0.76 USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= -0.156 (180deg=-0.824) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -168:sc= -0.496 (180deg=-0.94) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0669 (180deg=-0.445) USER MOD Single : A 70 MET CE :methyl -107:sc= -0.0342 (180deg=-2.51) USER MOD Single : A 71 GLN : amide:sc= -0.558 K(o=-0.56,f=-4.2!) USER MOD Single : A 72 GLN : amide:sc= -0.545 K(o=-0.54,f=-3.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 79 ASN : amide:sc= 0.727 K(o=0.73,f=-0.022) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.0759 X(o=0.076,f=-0.044) USER MOD Single : A 90 GLN : amide:sc= -5.85! C(o=-5.8!,f=-6.5!) USER MOD Single : A 94 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.0011) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 14.303 -3.713 9.593 1.00 0.00 N ATOM 2 CA ALA A 8 14.814 -2.603 8.799 1.00 0.00 C ATOM 3 C ALA A 8 14.437 -2.760 7.330 1.00 0.00 C ATOM 4 O ALA A 8 15.112 -3.462 6.577 1.00 0.00 O ATOM 5 CB ALA A 8 16.324 -2.497 8.949 1.00 0.00 C ATOM 0 HA ALA A 8 14.358 -1.685 9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 8 16.691 -1.664 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.575 -2.330 9.996 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.789 -3.422 8.608 1.00 0.00 H new ATOM 11 N ALA A 9 13.354 -2.102 6.928 1.00 0.00 N ATOM 12 CA ALA A 9 12.888 -2.167 5.549 1.00 0.00 C ATOM 13 C ALA A 9 13.649 -1.185 4.665 1.00 0.00 C ATOM 14 O ALA A 9 14.262 -0.230 5.142 1.00 0.00 O ATOM 15 CB ALA A 9 11.393 -1.889 5.483 1.00 0.00 C ATOM 0 H ALA A 9 12.783 -1.518 7.539 1.00 0.00 H new ATOM 0 HA ALA A 9 13.077 -3.173 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.059 -1.941 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.858 -2.632 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.190 -0.895 5.880 1.00 0.00 H new ATOM 21 N PRO A 10 13.613 -1.425 3.346 1.00 0.00 N ATOM 22 CA PRO A 10 14.295 -0.573 2.367 1.00 0.00 C ATOM 23 C PRO A 10 13.640 0.798 2.236 1.00 0.00 C ATOM 24 O PRO A 10 14.238 1.734 1.706 1.00 0.00 O ATOM 25 CB PRO A 10 14.161 -1.357 1.060 1.00 0.00 C ATOM 26 CG PRO A 10 12.946 -2.199 1.245 1.00 0.00 C ATOM 27 CD PRO A 10 12.902 -2.545 2.707 1.00 0.00 C ATOM 0 HA PRO A 10 15.327 -0.369 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.052 -0.688 0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.043 -1.970 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.048 -1.660 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.998 -3.099 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.877 -2.629 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.391 -3.498 2.909 1.00 0.00 H new ATOM 35 N ASN A 11 12.408 0.909 2.721 1.00 0.00 N ATOM 36 CA ASN A 11 11.671 2.167 2.658 1.00 0.00 C ATOM 37 C ASN A 11 12.500 3.311 3.232 1.00 0.00 C ATOM 38 O ASN A 11 12.748 3.370 4.438 1.00 0.00 O ATOM 39 CB ASN A 11 10.350 2.047 3.419 1.00 0.00 C ATOM 40 CG ASN A 11 9.379 1.095 2.745 1.00 0.00 C ATOM 41 OD1 ASN A 11 9.397 0.934 1.525 1.00 0.00 O ATOM 42 ND2 ASN A 11 8.525 0.460 3.540 1.00 0.00 N ATOM 0 H ASN A 11 11.898 0.143 3.162 1.00 0.00 H new ATOM 0 HA ASN A 11 11.460 2.384 1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.548 1.701 4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.891 3.032 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.848 -0.192 3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.546 0.625 4.546 1.00 0.00 H new ATOM 49 N LEU A 12 12.925 4.221 2.363 1.00 0.00 N ATOM 50 CA LEU A 12 13.725 5.366 2.784 1.00 0.00 C ATOM 51 C LEU A 12 12.833 6.534 3.191 1.00 0.00 C ATOM 52 O LEU A 12 12.767 6.897 4.365 1.00 0.00 O ATOM 53 CB LEU A 12 14.666 5.797 1.656 1.00 0.00 C ATOM 54 CG LEU A 12 15.594 6.972 1.969 1.00 0.00 C ATOM 55 CD1 LEU A 12 16.892 6.849 1.187 1.00 0.00 C ATOM 56 CD2 LEU A 12 14.904 8.292 1.659 1.00 0.00 C ATOM 0 H LEU A 12 12.729 4.189 1.363 1.00 0.00 H new ATOM 0 HA LEU A 12 14.317 5.066 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.279 4.941 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.063 6.058 0.786 1.00 0.00 H new ATOM 0 HG LEU A 12 15.832 6.951 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.540 7.693 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.394 5.920 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.674 6.845 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.578 9.117 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.637 8.324 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.002 8.382 2.264 1.00 0.00 H new ATOM 68 N ALA A 13 12.146 7.116 2.213 1.00 0.00 N ATOM 69 CA ALA A 13 11.254 8.239 2.471 1.00 0.00 C ATOM 70 C ALA A 13 9.793 7.805 2.414 1.00 0.00 C ATOM 71 O ALA A 13 9.476 6.726 1.918 1.00 0.00 O ATOM 72 CB ALA A 13 11.513 9.359 1.474 1.00 0.00 C ATOM 0 H ALA A 13 12.190 6.828 1.235 1.00 0.00 H new ATOM 0 HA ALA A 13 11.457 8.608 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.840 10.191 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.545 9.696 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.340 8.993 0.462 1.00 0.00 H new ATOM 78 N GLY A 14 8.907 8.654 2.926 1.00 0.00 N ATOM 79 CA GLY A 14 7.490 8.340 2.924 1.00 0.00 C ATOM 80 C GLY A 14 6.940 8.158 1.523 1.00 0.00 C ATOM 81 O GLY A 14 5.866 7.585 1.341 1.00 0.00 O ATOM 0 H GLY A 14 9.145 9.554 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.322 7.429 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.943 9.139 3.425 1.00 0.00 H new ATOM 85 N ALA A 15 7.675 8.648 0.531 1.00 0.00 N ATOM 86 CA ALA A 15 7.254 8.537 -0.859 1.00 0.00 C ATOM 87 C ALA A 15 5.962 9.309 -1.106 1.00 0.00 C ATOM 88 O ALA A 15 5.015 8.783 -1.692 1.00 0.00 O ATOM 89 CB ALA A 15 7.079 7.075 -1.242 1.00 0.00 C ATOM 0 H ALA A 15 8.566 9.126 0.665 1.00 0.00 H new ATOM 0 HA ALA A 15 8.032 8.975 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.764 7.007 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.025 6.550 -1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.322 6.620 -0.604 1.00 0.00 H new ATOM 95 N VAL A 16 5.929 10.558 -0.652 1.00 0.00 N ATOM 96 CA VAL A 16 4.752 11.402 -0.824 1.00 0.00 C ATOM 97 C VAL A 16 4.345 11.486 -2.290 1.00 0.00 C ATOM 98 O VAL A 16 3.177 11.706 -2.608 1.00 0.00 O ATOM 99 CB VAL A 16 5.001 12.825 -0.289 1.00 0.00 C ATOM 100 CG1 VAL A 16 5.220 12.800 1.216 1.00 0.00 C ATOM 101 CG2 VAL A 16 6.187 13.461 -0.998 1.00 0.00 C ATOM 0 H VAL A 16 6.703 11.008 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 16 3.946 10.942 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 16 4.118 13.430 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.394 13.814 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.337 12.388 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.086 12.179 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.348 14.466 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.079 12.858 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.985 13.516 -2.068 1.00 0.00 H new ATOM 111 N GLU A 17 5.317 11.308 -3.180 1.00 0.00 N ATOM 112 CA GLU A 17 5.058 11.364 -4.614 1.00 0.00 C ATOM 113 C GLU A 17 4.281 10.135 -5.075 1.00 0.00 C ATOM 114 O GLU A 17 4.779 9.011 -5.010 1.00 0.00 O ATOM 115 CB GLU A 17 6.374 11.469 -5.388 1.00 0.00 C ATOM 116 CG GLU A 17 6.186 11.641 -6.886 1.00 0.00 C ATOM 117 CD GLU A 17 7.320 12.413 -7.532 1.00 0.00 C ATOM 118 OE1 GLU A 17 8.441 11.868 -7.610 1.00 0.00 O ATOM 119 OE2 GLU A 17 7.085 13.563 -7.958 1.00 0.00 O ATOM 0 H GLU A 17 6.289 11.124 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 17 4.455 12.250 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.946 12.313 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.966 10.572 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.107 10.659 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.246 12.160 -7.073 1.00 0.00 H new ATOM 126 N PHE A 18 3.056 10.358 -5.540 1.00 0.00 N ATOM 127 CA PHE A 18 2.207 9.269 -6.011 1.00 0.00 C ATOM 128 C PHE A 18 2.906 8.469 -7.107 1.00 0.00 C ATOM 129 O PHE A 18 2.708 7.261 -7.231 1.00 0.00 O ATOM 130 CB PHE A 18 0.878 9.818 -6.533 1.00 0.00 C ATOM 131 CG PHE A 18 0.011 8.776 -7.179 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.173 7.541 -6.581 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.621 9.032 -8.385 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.969 6.580 -7.173 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.420 8.076 -8.983 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.595 6.848 -8.376 1.00 0.00 C ATOM 0 H PHE A 18 2.629 11.282 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 18 2.011 8.605 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.332 10.272 -5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.080 10.610 -7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.312 7.326 -5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.488 9.991 -8.864 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.102 5.620 -6.696 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.907 8.289 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.219 6.099 -8.840 1.00 0.00 H new ATOM 146 N SER A 19 3.723 9.154 -7.900 1.00 0.00 N ATOM 147 CA SER A 19 4.449 8.510 -8.989 1.00 0.00 C ATOM 148 C SER A 19 5.449 7.493 -8.448 1.00 0.00 C ATOM 149 O SER A 19 5.699 6.460 -9.070 1.00 0.00 O ATOM 150 CB SER A 19 5.176 9.557 -9.835 1.00 0.00 C ATOM 151 OG SER A 19 4.412 10.745 -9.944 1.00 0.00 O ATOM 0 H SER A 19 3.899 10.155 -7.809 1.00 0.00 H new ATOM 0 HA SER A 19 3.727 7.986 -9.615 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.144 9.783 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.371 9.154 -10.829 1.00 0.00 H new ATOM 0 HG SER A 19 4.899 11.399 -10.488 1.00 0.00 H new ATOM 157 N ASP A 20 6.018 7.792 -7.286 1.00 0.00 N ATOM 158 CA ASP A 20 6.990 6.904 -6.660 1.00 0.00 C ATOM 159 C ASP A 20 6.291 5.785 -5.894 1.00 0.00 C ATOM 160 O ASP A 20 6.845 4.701 -5.715 1.00 0.00 O ATOM 161 CB ASP A 20 7.899 7.693 -5.716 1.00 0.00 C ATOM 162 CG ASP A 20 9.289 7.095 -5.617 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.418 5.978 -5.074 1.00 0.00 O ATOM 164 OD2 ASP A 20 10.248 7.745 -6.082 1.00 0.00 O ATOM 0 H ASP A 20 5.823 8.643 -6.758 1.00 0.00 H new ATOM 0 HA ASP A 20 7.596 6.457 -7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.974 8.723 -6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.448 7.724 -4.724 1.00 0.00 H new ATOM 169 N VAL A 21 5.070 6.056 -5.444 1.00 0.00 N ATOM 170 CA VAL A 21 4.294 5.073 -4.698 1.00 0.00 C ATOM 171 C VAL A 21 3.889 3.903 -5.587 1.00 0.00 C ATOM 172 O VAL A 21 4.102 2.741 -5.240 1.00 0.00 O ATOM 173 CB VAL A 21 3.027 5.703 -4.088 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.212 4.653 -3.348 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.397 6.853 -3.164 1.00 0.00 C ATOM 0 H VAL A 21 4.597 6.949 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 21 4.933 4.710 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 21 2.413 6.100 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.321 5.116 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.916 3.866 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.814 4.223 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.490 7.287 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.031 6.483 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.935 7.615 -3.729 1.00 0.00 H new ATOM 185 N LYS A 22 3.304 4.217 -6.738 1.00 0.00 N ATOM 186 CA LYS A 22 2.869 3.192 -7.681 1.00 0.00 C ATOM 187 C LYS A 22 4.004 2.221 -7.990 1.00 0.00 C ATOM 188 O LYS A 22 3.783 1.020 -8.146 1.00 0.00 O ATOM 189 CB LYS A 22 2.370 3.839 -8.975 1.00 0.00 C ATOM 190 CG LYS A 22 3.346 4.839 -9.570 1.00 0.00 C ATOM 191 CD LYS A 22 2.757 5.537 -10.786 1.00 0.00 C ATOM 192 CE LYS A 22 3.843 5.978 -11.755 1.00 0.00 C ATOM 193 NZ LYS A 22 3.374 7.069 -12.654 1.00 0.00 N ATOM 0 H LYS A 22 3.120 5.173 -7.041 1.00 0.00 H new ATOM 0 HA LYS A 22 2.052 2.635 -7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.171 3.058 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.423 4.341 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.613 5.581 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.266 4.327 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.066 4.864 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.180 6.404 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.714 6.318 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.163 5.126 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.143 7.342 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.559 6.736 -13.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.093 7.892 -12.084 1.00 0.00 H new ATOM 207 N THR A 23 5.221 2.750 -8.077 1.00 0.00 N ATOM 208 CA THR A 23 6.391 1.930 -8.368 1.00 0.00 C ATOM 209 C THR A 23 6.707 0.993 -7.207 1.00 0.00 C ATOM 210 O THR A 23 6.993 -0.188 -7.410 1.00 0.00 O ATOM 211 CB THR A 23 7.627 2.799 -8.662 1.00 0.00 C ATOM 212 OG1 THR A 23 7.319 3.761 -9.678 1.00 0.00 O ATOM 213 CG2 THR A 23 8.800 1.940 -9.111 1.00 0.00 C ATOM 0 H THR A 23 5.422 3.742 -7.950 1.00 0.00 H new ATOM 0 HA THR A 23 6.152 1.341 -9.253 1.00 0.00 H new ATOM 0 HB THR A 23 7.906 3.316 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.806 4.498 -9.286 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.661 2.577 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.051 1.228 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.529 1.399 -10.017 1.00 0.00 H new ATOM 221 N LEU A 24 6.654 1.526 -5.992 1.00 0.00 N ATOM 222 CA LEU A 24 6.935 0.736 -4.798 1.00 0.00 C ATOM 223 C LEU A 24 5.918 -0.390 -4.638 1.00 0.00 C ATOM 224 O LEU A 24 6.259 -1.491 -4.205 1.00 0.00 O ATOM 225 CB LEU A 24 6.923 1.631 -3.557 1.00 0.00 C ATOM 226 CG LEU A 24 7.119 0.921 -2.217 1.00 0.00 C ATOM 227 CD1 LEU A 24 8.582 0.950 -1.805 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.248 1.558 -1.143 1.00 0.00 C ATOM 0 H LEU A 24 6.419 2.501 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 24 7.925 0.293 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.707 2.381 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.973 2.165 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 24 6.817 -0.120 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.701 0.440 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.183 0.447 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.912 1.984 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.401 1.040 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.519 2.608 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.200 1.483 -1.433 1.00 0.00 H new ATOM 240 N LEU A 25 4.670 -0.107 -4.991 1.00 0.00 N ATOM 241 CA LEU A 25 3.603 -1.096 -4.890 1.00 0.00 C ATOM 242 C LEU A 25 3.716 -2.135 -6.001 1.00 0.00 C ATOM 243 O LEU A 25 3.673 -3.338 -5.746 1.00 0.00 O ATOM 244 CB LEU A 25 2.237 -0.409 -4.953 1.00 0.00 C ATOM 245 CG LEU A 25 1.687 0.116 -3.627 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.666 1.215 -3.871 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.071 -1.017 -2.819 1.00 0.00 C ATOM 0 H LEU A 25 4.371 0.800 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 25 3.702 -1.606 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.304 0.425 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.517 -1.114 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 25 2.513 0.537 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.285 1.577 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.138 2.038 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.159 0.820 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.685 -0.625 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.256 -1.467 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.830 -1.772 -2.613 1.00 0.00 H new ATOM 259 N LYS A 26 3.860 -1.661 -7.234 1.00 0.00 N ATOM 260 CA LYS A 26 3.983 -2.547 -8.385 1.00 0.00 C ATOM 261 C LYS A 26 5.174 -3.487 -8.224 1.00 0.00 C ATOM 262 O LYS A 26 5.101 -4.662 -8.580 1.00 0.00 O ATOM 263 CB LYS A 26 4.134 -1.731 -9.670 1.00 0.00 C ATOM 264 CG LYS A 26 3.600 -2.435 -10.905 1.00 0.00 C ATOM 265 CD LYS A 26 4.566 -3.497 -11.402 1.00 0.00 C ATOM 266 CE LYS A 26 4.367 -3.783 -12.883 1.00 0.00 C ATOM 267 NZ LYS A 26 5.580 -4.388 -13.500 1.00 0.00 N ATOM 0 H LYS A 26 3.894 -0.667 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 26 3.075 -3.147 -8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.613 -0.781 -9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.188 -1.500 -9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.639 -2.895 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.424 -1.704 -11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.591 -3.168 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.425 -4.415 -10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.520 -4.457 -13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.120 -2.857 -13.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.580 -4.200 -14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.432 -3.972 -13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.577 -5.415 -13.337 1.00 0.00 H new ATOM 281 N GLU A 27 6.269 -2.960 -7.684 1.00 0.00 N ATOM 282 CA GLU A 27 7.474 -3.752 -7.475 1.00 0.00 C ATOM 283 C GLU A 27 7.310 -4.691 -6.283 1.00 0.00 C ATOM 284 O GLU A 27 7.801 -5.820 -6.296 1.00 0.00 O ATOM 285 CB GLU A 27 8.682 -2.838 -7.256 1.00 0.00 C ATOM 286 CG GLU A 27 9.368 -2.416 -8.544 1.00 0.00 C ATOM 287 CD GLU A 27 10.304 -3.481 -9.081 1.00 0.00 C ATOM 288 OE1 GLU A 27 11.404 -3.646 -8.514 1.00 0.00 O ATOM 289 OE2 GLU A 27 9.937 -4.149 -10.070 1.00 0.00 O ATOM 0 H GLU A 27 6.345 -1.988 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 27 7.640 -4.354 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.360 -1.947 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.404 -3.351 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.613 -2.188 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.930 -1.499 -8.369 1.00 0.00 H new ATOM 296 N TRP A 28 6.615 -4.216 -5.256 1.00 0.00 N ATOM 297 CA TRP A 28 6.386 -5.011 -4.055 1.00 0.00 C ATOM 298 C TRP A 28 5.498 -6.213 -4.360 1.00 0.00 C ATOM 299 O TRP A 28 5.477 -7.187 -3.608 1.00 0.00 O ATOM 300 CB TRP A 28 5.745 -4.153 -2.964 1.00 0.00 C ATOM 301 CG TRP A 28 5.298 -4.943 -1.772 1.00 0.00 C ATOM 302 CD1 TRP A 28 6.081 -5.706 -0.954 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.964 -5.049 -1.264 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.314 -6.280 0.031 1.00 0.00 N ATOM 305 CE2 TRP A 28 4.012 -5.892 -0.137 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.733 -4.512 -1.651 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.876 -6.209 0.603 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.607 -4.829 -0.916 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.685 -5.670 0.201 1.00 0.00 C ATOM 0 H TRP A 28 6.200 -3.284 -5.231 1.00 0.00 H new ATOM 0 HA TRP A 28 7.351 -5.375 -3.701 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.459 -3.395 -2.641 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.888 -3.626 -3.383 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.147 -5.839 -1.065 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.659 -6.895 0.768 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.663 -3.861 -2.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.933 -6.858 1.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.650 -4.421 -1.208 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.787 -5.897 0.756 1.00 0.00 H new ATOM 320 N ILE A 29 4.768 -6.138 -5.467 1.00 0.00 N ATOM 321 CA ILE A 29 3.879 -7.220 -5.871 1.00 0.00 C ATOM 322 C ILE A 29 4.558 -8.141 -6.880 1.00 0.00 C ATOM 323 O ILE A 29 4.240 -9.327 -6.967 1.00 0.00 O ATOM 324 CB ILE A 29 2.574 -6.679 -6.484 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.838 -5.796 -5.475 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.685 -7.829 -6.937 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.821 -4.872 -6.108 1.00 0.00 C ATOM 0 H ILE A 29 4.775 -5.339 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 29 3.640 -7.784 -4.970 1.00 0.00 H new ATOM 0 HB ILE A 29 2.823 -6.073 -7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.335 -6.432 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.567 -5.199 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.766 -7.431 -7.368 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.210 -8.422 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.441 -8.459 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.338 -4.277 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.321 -4.210 -6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.070 -5.462 -6.632 1.00 0.00 H new ATOM 339 N THR A 30 5.497 -7.586 -7.640 1.00 0.00 N ATOM 340 CA THR A 30 6.223 -8.357 -8.642 1.00 0.00 C ATOM 341 C THR A 30 7.431 -9.056 -8.030 1.00 0.00 C ATOM 342 O THR A 30 7.560 -10.279 -8.108 1.00 0.00 O ATOM 343 CB THR A 30 6.695 -7.464 -9.804 1.00 0.00 C ATOM 344 OG1 THR A 30 7.557 -6.433 -9.310 1.00 0.00 O ATOM 345 CG2 THR A 30 5.508 -6.839 -10.523 1.00 0.00 C ATOM 0 H THR A 30 5.773 -6.606 -7.581 1.00 0.00 H new ATOM 0 HA THR A 30 5.531 -9.106 -9.027 1.00 0.00 H new ATOM 0 HB THR A 30 7.242 -8.086 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.854 -5.870 -10.055 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.866 -6.212 -11.340 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.869 -7.626 -10.923 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.937 -6.230 -9.822 1.00 0.00 H new ATOM 353 N THR A 31 8.315 -8.274 -7.420 1.00 0.00 N ATOM 354 CA THR A 31 9.514 -8.818 -6.794 1.00 0.00 C ATOM 355 C THR A 31 9.159 -9.835 -5.716 1.00 0.00 C ATOM 356 O THR A 31 9.716 -10.932 -5.677 1.00 0.00 O ATOM 357 CB THR A 31 10.376 -7.705 -6.170 1.00 0.00 C ATOM 358 OG1 THR A 31 9.708 -7.149 -5.031 1.00 0.00 O ATOM 359 CG2 THR A 31 10.660 -6.606 -7.183 1.00 0.00 C ATOM 0 H THR A 31 8.224 -7.261 -7.346 1.00 0.00 H new ATOM 0 HA THR A 31 10.085 -9.312 -7.581 1.00 0.00 H new ATOM 0 HB THR A 31 11.324 -8.143 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.087 -6.450 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.270 -5.832 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.194 -7.026 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.719 -6.172 -7.522 1.00 0.00 H new ATOM 367 N ILE A 32 8.227 -9.465 -4.844 1.00 0.00 N ATOM 368 CA ILE A 32 7.796 -10.347 -3.767 1.00 0.00 C ATOM 369 C ILE A 32 6.610 -11.203 -4.198 1.00 0.00 C ATOM 370 O ILE A 32 5.816 -10.799 -5.048 1.00 0.00 O ATOM 371 CB ILE A 32 7.408 -9.550 -2.508 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.482 -8.507 -2.188 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.206 -10.489 -1.328 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.858 -9.100 -1.981 1.00 0.00 C ATOM 0 H ILE A 32 7.756 -8.560 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 32 8.641 -10.994 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 32 6.469 -9.031 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.526 -7.782 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.191 -7.962 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.932 -9.911 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.410 -11.197 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.131 -11.032 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.568 -8.303 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.830 -9.804 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.170 -9.621 -2.886 1.00 0.00 H new ATOM 386 N SER A 33 6.494 -12.387 -3.605 1.00 0.00 N ATOM 387 CA SER A 33 5.407 -13.301 -3.929 1.00 0.00 C ATOM 388 C SER A 33 4.642 -13.704 -2.672 1.00 0.00 C ATOM 389 O SER A 33 3.417 -13.604 -2.617 1.00 0.00 O ATOM 390 CB SER A 33 5.950 -14.547 -4.630 1.00 0.00 C ATOM 391 OG SER A 33 6.101 -14.326 -6.022 1.00 0.00 O ATOM 0 H SER A 33 7.141 -12.735 -2.897 1.00 0.00 H new ATOM 0 HA SER A 33 4.721 -12.785 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.911 -14.822 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.274 -15.385 -4.463 1.00 0.00 H new ATOM 0 HG SER A 33 6.451 -15.137 -6.446 1.00 0.00 H new ATOM 397 N ASP A 34 5.376 -14.161 -1.662 1.00 0.00 N ATOM 398 CA ASP A 34 4.770 -14.579 -0.404 1.00 0.00 C ATOM 399 C ASP A 34 5.308 -13.751 0.759 1.00 0.00 C ATOM 400 O ASP A 34 6.091 -14.227 1.582 1.00 0.00 O ATOM 401 CB ASP A 34 5.034 -16.064 -0.154 1.00 0.00 C ATOM 402 CG ASP A 34 4.135 -16.959 -0.985 1.00 0.00 C ATOM 403 OD1 ASP A 34 2.901 -16.777 -0.929 1.00 0.00 O ATOM 404 OD2 ASP A 34 4.666 -17.842 -1.691 1.00 0.00 O ATOM 0 H ASP A 34 6.392 -14.251 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 34 3.695 -14.417 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.076 -16.288 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.884 -16.284 0.903 1.00 0.00 H new ATOM 409 N PRO A 35 4.879 -12.482 0.832 1.00 0.00 N ATOM 410 CA PRO A 35 5.305 -11.562 1.890 1.00 0.00 C ATOM 411 C PRO A 35 4.730 -11.936 3.251 1.00 0.00 C ATOM 412 O PRO A 35 3.844 -12.786 3.348 1.00 0.00 O ATOM 413 CB PRO A 35 4.752 -10.210 1.428 1.00 0.00 C ATOM 414 CG PRO A 35 3.590 -10.554 0.562 1.00 0.00 C ATOM 415 CD PRO A 35 3.945 -11.849 -0.114 1.00 0.00 C ATOM 0 HA PRO A 35 6.386 -11.572 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.447 -9.596 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.502 -9.642 0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.680 -10.659 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.404 -9.769 -0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.064 -12.468 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.409 -11.681 -1.086 1.00 0.00 H new ATOM 423 N MET A 36 5.237 -11.297 4.299 1.00 0.00 N ATOM 424 CA MET A 36 4.771 -11.563 5.655 1.00 0.00 C ATOM 425 C MET A 36 3.687 -10.571 6.062 1.00 0.00 C ATOM 426 O MET A 36 3.342 -9.668 5.299 1.00 0.00 O ATOM 427 CB MET A 36 5.938 -11.493 6.641 1.00 0.00 C ATOM 428 CG MET A 36 6.721 -12.792 6.749 1.00 0.00 C ATOM 429 SD MET A 36 5.961 -13.970 7.883 1.00 0.00 S ATOM 430 CE MET A 36 5.302 -15.172 6.730 1.00 0.00 C ATOM 0 H MET A 36 5.971 -10.591 4.236 1.00 0.00 H new ATOM 0 HA MET A 36 4.347 -12.567 5.676 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.614 -10.695 6.335 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.555 -11.226 7.626 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.803 -13.246 5.761 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.735 -12.574 7.084 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.335 -15.527 7.087 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.180 -14.708 5.751 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.990 -16.014 6.649 1.00 0.00 H new ATOM 440 N GLU A 37 3.154 -10.743 7.268 1.00 0.00 N ATOM 441 CA GLU A 37 2.108 -9.862 7.774 1.00 0.00 C ATOM 442 C GLU A 37 2.619 -8.430 7.903 1.00 0.00 C ATOM 443 O GLU A 37 1.849 -7.476 7.802 1.00 0.00 O ATOM 444 CB GLU A 37 1.603 -10.360 9.129 1.00 0.00 C ATOM 445 CG GLU A 37 2.700 -10.516 10.168 1.00 0.00 C ATOM 446 CD GLU A 37 2.211 -11.184 11.438 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.004 -11.494 11.519 1.00 0.00 O ATOM 448 OE2 GLU A 37 3.036 -11.397 12.352 1.00 0.00 O ATOM 0 H GLU A 37 3.429 -11.484 7.912 1.00 0.00 H new ATOM 0 HA GLU A 37 1.283 -9.872 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.854 -9.664 9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.106 -11.320 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.515 -11.102 9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.106 -9.534 10.412 1.00 0.00 H new ATOM 455 N GLU A 38 3.922 -8.291 8.128 1.00 0.00 N ATOM 456 CA GLU A 38 4.535 -6.975 8.273 1.00 0.00 C ATOM 457 C GLU A 38 4.416 -6.174 6.979 1.00 0.00 C ATOM 458 O GLU A 38 4.288 -4.950 7.004 1.00 0.00 O ATOM 459 CB GLU A 38 6.007 -7.114 8.666 1.00 0.00 C ATOM 460 CG GLU A 38 6.856 -7.804 7.611 1.00 0.00 C ATOM 461 CD GLU A 38 8.212 -8.229 8.140 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.252 -9.047 9.083 1.00 0.00 O ATOM 463 OE2 GLU A 38 9.234 -7.745 7.610 1.00 0.00 O ATOM 0 H GLU A 38 4.573 -9.072 8.214 1.00 0.00 H new ATOM 0 HA GLU A 38 4.005 -6.440 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.418 -6.123 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.074 -7.675 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.325 -8.680 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.995 -7.131 6.765 1.00 0.00 H new ATOM 470 N ASP A 39 4.459 -6.874 5.851 1.00 0.00 N ATOM 471 CA ASP A 39 4.356 -6.230 4.547 1.00 0.00 C ATOM 472 C ASP A 39 2.981 -5.598 4.360 1.00 0.00 C ATOM 473 O ASP A 39 2.864 -4.479 3.858 1.00 0.00 O ATOM 474 CB ASP A 39 4.623 -7.241 3.432 1.00 0.00 C ATOM 475 CG ASP A 39 5.945 -7.961 3.606 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.091 -8.702 4.603 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.834 -7.786 2.748 1.00 0.00 O ATOM 0 H ASP A 39 4.565 -7.888 5.813 1.00 0.00 H new ATOM 0 HA ASP A 39 5.107 -5.442 4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.815 -7.972 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.617 -6.727 2.471 1.00 0.00 H new ATOM 482 N ILE A 40 1.943 -6.320 4.768 1.00 0.00 N ATOM 483 CA ILE A 40 0.576 -5.830 4.645 1.00 0.00 C ATOM 484 C ILE A 40 0.320 -4.671 5.602 1.00 0.00 C ATOM 485 O ILE A 40 -0.470 -3.773 5.309 1.00 0.00 O ATOM 486 CB ILE A 40 -0.449 -6.946 4.921 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.266 -8.094 3.926 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.865 -6.395 4.847 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.587 -9.225 4.459 1.00 0.00 C ATOM 0 H ILE A 40 2.023 -7.247 5.187 1.00 0.00 H new ATOM 0 HA ILE A 40 0.456 -5.484 3.619 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.282 -7.331 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.245 -8.486 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.188 -7.705 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.578 -7.196 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.988 -5.608 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.045 -5.986 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.674 -10.003 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.579 -8.847 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.123 -9.640 5.354 1.00 0.00 H new ATOM 501 N LEU A 41 0.992 -4.698 6.747 1.00 0.00 N ATOM 502 CA LEU A 41 0.839 -3.649 7.749 1.00 0.00 C ATOM 503 C LEU A 41 1.591 -2.388 7.336 1.00 0.00 C ATOM 504 O LEU A 41 1.201 -1.276 7.692 1.00 0.00 O ATOM 505 CB LEU A 41 1.345 -4.135 9.108 1.00 0.00 C ATOM 506 CG LEU A 41 0.524 -5.241 9.773 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.150 -5.645 11.099 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.915 -4.788 9.976 1.00 0.00 C ATOM 0 H LEU A 41 1.648 -5.435 7.005 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.221 -3.409 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.368 -4.492 8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.384 -3.282 9.785 1.00 0.00 H new ATOM 0 HG LEU A 41 0.521 -6.111 9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.553 -6.433 11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.162 -6.011 10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.184 -4.782 11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.485 -5.587 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.932 -3.903 10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.361 -4.548 9.011 1.00 0.00 H new ATOM 520 N GLN A 42 2.670 -2.569 6.580 1.00 0.00 N ATOM 521 CA GLN A 42 3.474 -1.445 6.117 1.00 0.00 C ATOM 522 C GLN A 42 2.703 -0.602 5.106 1.00 0.00 C ATOM 523 O GLN A 42 2.651 0.623 5.214 1.00 0.00 O ATOM 524 CB GLN A 42 4.776 -1.947 5.490 1.00 0.00 C ATOM 525 CG GLN A 42 5.876 -2.214 6.506 1.00 0.00 C ATOM 526 CD GLN A 42 6.385 -0.946 7.162 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.550 0.083 6.507 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.637 -1.014 8.464 1.00 0.00 N ATOM 0 H GLN A 42 3.007 -3.483 6.276 1.00 0.00 H new ATOM 0 HA GLN A 42 3.709 -0.821 6.979 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.573 -2.864 4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.130 -1.211 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.500 -2.890 7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.705 -2.722 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.486 -1.888 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.982 -0.192 8.960 1.00 0.00 H new ATOM 537 N VAL A 43 2.103 -1.267 4.124 1.00 0.00 N ATOM 538 CA VAL A 43 1.332 -0.579 3.095 1.00 0.00 C ATOM 539 C VAL A 43 0.147 0.165 3.700 1.00 0.00 C ATOM 540 O VAL A 43 -0.244 1.228 3.217 1.00 0.00 O ATOM 541 CB VAL A 43 0.815 -1.563 2.028 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.974 -2.134 1.223 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.008 -2.677 2.678 1.00 0.00 C ATOM 0 H VAL A 43 2.136 -2.281 4.019 1.00 0.00 H new ATOM 0 HA VAL A 43 2.004 0.137 2.623 1.00 0.00 H new ATOM 0 HB VAL A 43 0.160 -1.021 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.590 -2.827 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.507 -1.323 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.655 -2.662 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.350 -3.363 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.638 -3.219 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.843 -2.249 3.207 1.00 0.00 H new ATOM 553 N VAL A 44 -0.420 -0.400 4.761 1.00 0.00 N ATOM 554 CA VAL A 44 -1.560 0.211 5.434 1.00 0.00 C ATOM 555 C VAL A 44 -1.142 1.463 6.196 1.00 0.00 C ATOM 556 O VAL A 44 -1.906 2.423 6.300 1.00 0.00 O ATOM 557 CB VAL A 44 -2.227 -0.774 6.413 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.361 -0.094 7.165 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.730 -2.003 5.672 1.00 0.00 C ATOM 0 H VAL A 44 -0.109 -1.280 5.173 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.277 0.483 4.659 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.482 -1.096 7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.820 -0.805 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.968 0.752 7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.109 0.259 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.198 -2.688 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.460 -1.702 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.893 -2.502 5.184 1.00 0.00 H new ATOM 569 N ARG A 45 0.076 1.446 6.728 1.00 0.00 N ATOM 570 CA ARG A 45 0.596 2.581 7.481 1.00 0.00 C ATOM 571 C ARG A 45 0.689 3.823 6.600 1.00 0.00 C ATOM 572 O ARG A 45 0.208 4.895 6.968 1.00 0.00 O ATOM 573 CB ARG A 45 1.972 2.249 8.059 1.00 0.00 C ATOM 574 CG ARG A 45 1.916 1.603 9.435 1.00 0.00 C ATOM 575 CD ARG A 45 1.384 2.568 10.482 1.00 0.00 C ATOM 576 NE ARG A 45 1.457 2.009 11.829 1.00 0.00 N ATOM 577 CZ ARG A 45 1.340 2.736 12.935 1.00 0.00 C ATOM 578 NH1 ARG A 45 1.144 4.044 12.853 1.00 0.00 N ATOM 579 NH2 ARG A 45 1.417 2.153 14.124 1.00 0.00 N ATOM 0 H ARG A 45 0.721 0.659 6.652 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.094 2.788 8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.493 1.580 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.561 3.164 8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.280 0.719 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.913 1.267 9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.955 3.496 10.443 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.349 2.820 10.250 1.00 0.00 H new ATOM 0 HE ARG A 45 1.606 1.005 11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.083 4.494 11.940 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.054 4.601 13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.566 1.146 14.190 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.327 2.712 14.973 1.00 0.00 H new ATOM 593 N TYR A 46 1.309 3.671 5.436 1.00 0.00 N ATOM 594 CA TYR A 46 1.468 4.779 4.503 1.00 0.00 C ATOM 595 C TYR A 46 0.122 5.429 4.195 1.00 0.00 C ATOM 596 O TYR A 46 0.010 6.654 4.139 1.00 0.00 O ATOM 597 CB TYR A 46 2.121 4.295 3.207 1.00 0.00 C ATOM 598 CG TYR A 46 2.089 5.317 2.093 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.792 6.510 2.199 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.354 5.089 0.937 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.765 7.447 1.184 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.321 6.019 -0.083 1.00 0.00 C ATOM 603 CZ TYR A 46 2.029 7.197 0.044 1.00 0.00 C ATOM 604 OH TYR A 46 1.998 8.127 -0.969 1.00 0.00 O ATOM 0 H TYR A 46 1.710 2.790 5.116 1.00 0.00 H new ATOM 0 HA TYR A 46 2.113 5.523 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.157 4.025 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.616 3.389 2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.369 6.709 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.799 4.168 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.317 8.370 1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.744 5.826 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 46 2.890 8.515 -1.084 1.00 0.00 H new ATOM 614 N CYS A 47 -0.896 4.599 3.998 1.00 0.00 N ATOM 615 CA CYS A 47 -2.235 5.091 3.695 1.00 0.00 C ATOM 616 C CYS A 47 -2.840 5.799 4.902 1.00 0.00 C ATOM 617 O CYS A 47 -3.271 6.950 4.810 1.00 0.00 O ATOM 618 CB CYS A 47 -3.139 3.936 3.261 1.00 0.00 C ATOM 619 SG CYS A 47 -2.721 3.238 1.646 1.00 0.00 S ATOM 0 H CYS A 47 -0.820 3.583 4.043 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.155 5.808 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.087 3.146 4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.171 4.286 3.238 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.733 2.404 1.777 1.00 0.00 H new ATOM 625 N THR A 48 -2.871 5.106 6.036 1.00 0.00 N ATOM 626 CA THR A 48 -3.425 5.667 7.261 1.00 0.00 C ATOM 627 C THR A 48 -2.716 6.961 7.643 1.00 0.00 C ATOM 628 O THR A 48 -3.292 7.823 8.308 1.00 0.00 O ATOM 629 CB THR A 48 -3.319 4.673 8.432 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.931 3.428 8.076 1.00 0.00 O ATOM 631 CG2 THR A 48 -3.987 5.232 9.679 1.00 0.00 C ATOM 0 H THR A 48 -2.518 4.154 6.131 1.00 0.00 H new ATOM 0 HA THR A 48 -4.477 5.876 7.065 1.00 0.00 H new ATOM 0 HB THR A 48 -2.263 4.511 8.646 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.343 2.937 7.464 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.899 4.512 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.500 6.164 9.965 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.041 5.421 9.474 1.00 0.00 H new ATOM 639 N ASP A 49 -1.464 7.092 7.217 1.00 0.00 N ATOM 640 CA ASP A 49 -0.677 8.283 7.514 1.00 0.00 C ATOM 641 C ASP A 49 -1.104 9.451 6.629 1.00 0.00 C ATOM 642 O ASP A 49 -1.000 10.613 7.023 1.00 0.00 O ATOM 643 CB ASP A 49 0.813 7.998 7.318 1.00 0.00 C ATOM 644 CG ASP A 49 1.693 8.951 8.103 1.00 0.00 C ATOM 645 OD1 ASP A 49 1.258 10.097 8.346 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.816 8.551 8.475 1.00 0.00 O ATOM 0 H ASP A 49 -0.973 6.388 6.665 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.854 8.555 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.027 6.974 7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.058 8.071 6.258 1.00 0.00 H new ATOM 651 N LEU A 50 -1.583 9.134 5.431 1.00 0.00 N ATOM 652 CA LEU A 50 -2.025 10.156 4.489 1.00 0.00 C ATOM 653 C LEU A 50 -3.277 10.863 4.999 1.00 0.00 C ATOM 654 O LEU A 50 -3.335 12.092 5.041 1.00 0.00 O ATOM 655 CB LEU A 50 -2.300 9.532 3.120 1.00 0.00 C ATOM 656 CG LEU A 50 -1.070 9.123 2.309 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.465 8.197 1.169 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.350 10.352 1.775 1.00 0.00 C ATOM 0 H LEU A 50 -1.675 8.177 5.089 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.228 10.893 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.925 8.651 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.880 10.241 2.530 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.388 8.585 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.576 7.917 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.935 7.301 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.167 8.709 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.523 10.041 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.024 10.918 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.032 10.978 2.609 1.00 0.00 H new ATOM 670 N ILE A 51 -4.275 10.077 5.389 1.00 0.00 N ATOM 671 CA ILE A 51 -5.524 10.628 5.899 1.00 0.00 C ATOM 672 C ILE A 51 -5.281 11.496 7.129 1.00 0.00 C ATOM 673 O ILE A 51 -6.090 12.363 7.459 1.00 0.00 O ATOM 674 CB ILE A 51 -6.524 9.513 6.263 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.828 8.651 5.035 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.803 10.113 6.827 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.965 7.178 5.350 1.00 0.00 C ATOM 0 H ILE A 51 -4.243 9.058 5.362 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.947 11.240 5.102 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.077 8.878 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.751 9.003 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.033 8.785 4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.500 9.313 7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.571 10.688 7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.257 10.768 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.180 6.628 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.035 6.811 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.779 7.032 6.060 1.00 0.00 H new ATOM 689 N GLU A 52 -4.159 11.258 7.801 1.00 0.00 N ATOM 690 CA GLU A 52 -3.808 12.020 8.994 1.00 0.00 C ATOM 691 C GLU A 52 -3.332 13.423 8.623 1.00 0.00 C ATOM 692 O GLU A 52 -3.435 14.354 9.421 1.00 0.00 O ATOM 693 CB GLU A 52 -2.720 11.295 9.788 1.00 0.00 C ATOM 694 CG GLU A 52 -3.217 10.048 10.501 1.00 0.00 C ATOM 695 CD GLU A 52 -4.048 10.369 11.728 1.00 0.00 C ATOM 696 OE1 GLU A 52 -3.718 11.348 12.430 1.00 0.00 O ATOM 697 OE2 GLU A 52 -5.030 9.641 11.986 1.00 0.00 O ATOM 0 H GLU A 52 -3.478 10.545 7.540 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.701 12.109 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.911 11.019 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.300 11.981 10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.812 9.452 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.363 9.437 10.795 1.00 0.00 H new ATOM 704 N GLU A 53 -2.812 13.563 7.409 1.00 0.00 N ATOM 705 CA GLU A 53 -2.320 14.851 6.934 1.00 0.00 C ATOM 706 C GLU A 53 -3.215 15.401 5.827 1.00 0.00 C ATOM 707 O GLU A 53 -2.848 16.343 5.126 1.00 0.00 O ATOM 708 CB GLU A 53 -0.884 14.715 6.421 1.00 0.00 C ATOM 709 CG GLU A 53 -0.693 13.575 5.437 1.00 0.00 C ATOM 710 CD GLU A 53 0.679 13.584 4.791 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.936 14.479 3.959 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.494 12.697 5.118 1.00 0.00 O ATOM 0 H GLU A 53 -2.720 12.802 6.736 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.336 15.548 7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.588 15.649 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.217 14.566 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.841 12.626 5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.456 13.638 4.661 1.00 0.00 H new ATOM 719 N LYS A 54 -4.394 14.805 5.677 1.00 0.00 N ATOM 720 CA LYS A 54 -5.344 15.234 4.658 1.00 0.00 C ATOM 721 C LYS A 54 -4.777 15.013 3.258 1.00 0.00 C ATOM 722 O LYS A 54 -5.288 15.558 2.279 1.00 0.00 O ATOM 723 CB LYS A 54 -5.697 16.711 4.849 1.00 0.00 C ATOM 724 CG LYS A 54 -5.974 17.087 6.294 1.00 0.00 C ATOM 725 CD LYS A 54 -7.262 17.882 6.426 1.00 0.00 C ATOM 726 CE LYS A 54 -8.474 16.968 6.526 1.00 0.00 C ATOM 727 NZ LYS A 54 -9.068 16.684 5.191 1.00 0.00 N ATOM 0 H LYS A 54 -4.714 14.023 6.249 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.248 14.634 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.877 17.324 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.574 16.947 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.039 16.183 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.142 17.673 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.210 18.517 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.373 18.542 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.183 16.031 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.225 17.430 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.025 16.296 5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.119 17.564 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.476 15.993 4.687 1.00 0.00 H new ATOM 741 N ASP A 55 -3.723 14.210 3.172 1.00 0.00 N ATOM 742 CA ASP A 55 -3.089 13.915 1.892 1.00 0.00 C ATOM 743 C ASP A 55 -3.602 12.596 1.323 1.00 0.00 C ATOM 744 O ASP A 55 -2.876 11.882 0.629 1.00 0.00 O ATOM 745 CB ASP A 55 -1.569 13.859 2.052 1.00 0.00 C ATOM 746 CG ASP A 55 -0.838 14.299 0.799 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.368 15.172 0.080 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.263 13.772 0.538 1.00 0.00 O ATOM 0 H ASP A 55 -3.289 13.751 3.973 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.344 14.714 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.271 14.495 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.271 12.842 2.305 1.00 0.00 H new ATOM 753 N LEU A 56 -4.857 12.277 1.622 1.00 0.00 N ATOM 754 CA LEU A 56 -5.467 11.042 1.142 1.00 0.00 C ATOM 755 C LEU A 56 -5.856 11.163 -0.328 1.00 0.00 C ATOM 756 O LEU A 56 -6.310 10.198 -0.942 1.00 0.00 O ATOM 757 CB LEU A 56 -6.699 10.699 1.980 1.00 0.00 C ATOM 758 CG LEU A 56 -7.572 11.880 2.405 1.00 0.00 C ATOM 759 CD1 LEU A 56 -7.931 12.738 1.200 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.831 11.389 3.105 1.00 0.00 C ATOM 0 H LEU A 56 -5.471 12.856 2.194 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.734 10.241 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.316 10.002 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.369 10.176 2.877 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.005 12.492 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.553 13.574 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.019 13.119 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.479 12.136 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.440 12.243 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.401 10.755 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.555 10.817 3.991 1.00 0.00 H new ATOM 772 N GLU A 57 -5.674 12.357 -0.887 1.00 0.00 N ATOM 773 CA GLU A 57 -6.006 12.602 -2.286 1.00 0.00 C ATOM 774 C GLU A 57 -5.351 11.563 -3.191 1.00 0.00 C ATOM 775 O GLU A 57 -6.013 10.943 -4.023 1.00 0.00 O ATOM 776 CB GLU A 57 -5.561 14.006 -2.698 1.00 0.00 C ATOM 777 CG GLU A 57 -6.495 15.106 -2.221 1.00 0.00 C ATOM 778 CD GLU A 57 -6.239 16.430 -2.913 1.00 0.00 C ATOM 779 OE1 GLU A 57 -6.043 16.428 -4.147 1.00 0.00 O ATOM 780 OE2 GLU A 57 -6.235 17.470 -2.222 1.00 0.00 O ATOM 0 H GLU A 57 -5.299 13.167 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.088 12.523 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.563 14.192 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.487 14.050 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.527 14.802 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.379 15.235 -1.145 1.00 0.00 H new ATOM 787 N LYS A 58 -4.047 11.378 -3.023 1.00 0.00 N ATOM 788 CA LYS A 58 -3.300 10.414 -3.822 1.00 0.00 C ATOM 789 C LYS A 58 -3.666 8.985 -3.434 1.00 0.00 C ATOM 790 O LYS A 58 -3.633 8.077 -4.266 1.00 0.00 O ATOM 791 CB LYS A 58 -1.795 10.632 -3.648 1.00 0.00 C ATOM 792 CG LYS A 58 -1.313 11.980 -4.153 1.00 0.00 C ATOM 793 CD LYS A 58 -0.097 12.462 -3.381 1.00 0.00 C ATOM 794 CE LYS A 58 -0.472 13.510 -2.345 1.00 0.00 C ATOM 795 NZ LYS A 58 -1.077 14.718 -2.972 1.00 0.00 N ATOM 0 H LYS A 58 -3.484 11.884 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.564 10.566 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.543 10.538 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.259 9.843 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.067 11.906 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.116 12.712 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.380 11.616 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.633 12.880 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.175 13.080 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.416 13.799 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.874 15.552 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.673 14.856 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.106 14.591 -3.049 1.00 0.00 H new ATOM 809 N LEU A 59 -4.017 8.793 -2.167 1.00 0.00 N ATOM 810 CA LEU A 59 -4.391 7.474 -1.669 1.00 0.00 C ATOM 811 C LEU A 59 -5.567 6.908 -2.457 1.00 0.00 C ATOM 812 O LEU A 59 -5.502 5.791 -2.972 1.00 0.00 O ATOM 813 CB LEU A 59 -4.747 7.551 -0.183 1.00 0.00 C ATOM 814 CG LEU A 59 -4.459 6.297 0.642 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.018 6.443 2.049 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.039 5.065 -0.038 1.00 0.00 C ATOM 0 H LEU A 59 -4.050 9.534 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.538 6.808 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.201 8.385 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.808 7.783 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.378 6.174 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.803 5.541 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.555 7.301 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.097 6.592 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.824 4.182 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.118 5.180 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.591 4.949 -1.025 1.00 0.00 H new ATOM 828 N ASP A 60 -6.640 7.685 -2.550 1.00 0.00 N ATOM 829 CA ASP A 60 -7.830 7.263 -3.280 1.00 0.00 C ATOM 830 C ASP A 60 -7.464 6.758 -4.672 1.00 0.00 C ATOM 831 O ASP A 60 -8.112 5.860 -5.209 1.00 0.00 O ATOM 832 CB ASP A 60 -8.825 8.419 -3.387 1.00 0.00 C ATOM 833 CG ASP A 60 -10.010 8.251 -2.457 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.793 8.157 -1.230 1.00 0.00 O ATOM 835 OD2 ASP A 60 -11.154 8.215 -2.955 1.00 0.00 O ATOM 0 H ASP A 60 -6.711 8.611 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.294 6.445 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.316 9.355 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.181 8.494 -4.414 1.00 0.00 H new ATOM 840 N LEU A 61 -6.421 7.342 -5.252 1.00 0.00 N ATOM 841 CA LEU A 61 -5.968 6.955 -6.583 1.00 0.00 C ATOM 842 C LEU A 61 -5.185 5.647 -6.531 1.00 0.00 C ATOM 843 O LEU A 61 -5.288 4.814 -7.432 1.00 0.00 O ATOM 844 CB LEU A 61 -5.100 8.057 -7.191 1.00 0.00 C ATOM 845 CG LEU A 61 -5.583 9.492 -6.965 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.489 10.485 -7.326 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.842 9.764 -7.774 1.00 0.00 C ATOM 0 H LEU A 61 -5.873 8.086 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.848 6.808 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.093 7.965 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.027 7.884 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.822 9.614 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.850 11.500 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.613 10.304 -6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.219 10.364 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.171 10.789 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.630 9.625 -8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.628 9.074 -7.467 1.00 0.00 H new ATOM 859 N VAL A 62 -4.404 5.471 -5.470 1.00 0.00 N ATOM 860 CA VAL A 62 -3.606 4.263 -5.298 1.00 0.00 C ATOM 861 C VAL A 62 -4.492 3.025 -5.231 1.00 0.00 C ATOM 862 O VAL A 62 -4.105 1.946 -5.683 1.00 0.00 O ATOM 863 CB VAL A 62 -2.745 4.335 -4.024 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.973 3.040 -3.827 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.799 5.525 -4.086 1.00 0.00 C ATOM 0 H VAL A 62 -4.307 6.151 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.950 4.191 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.406 4.470 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.370 3.110 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.673 2.210 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.322 2.871 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.198 5.560 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.143 5.424 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.377 6.445 -4.175 1.00 0.00 H new ATOM 875 N ILE A 63 -5.684 3.185 -4.665 1.00 0.00 N ATOM 876 CA ILE A 63 -6.626 2.081 -4.539 1.00 0.00 C ATOM 877 C ILE A 63 -6.916 1.450 -5.897 1.00 0.00 C ATOM 878 O ILE A 63 -7.137 0.243 -5.999 1.00 0.00 O ATOM 879 CB ILE A 63 -7.951 2.540 -3.905 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.689 3.229 -2.564 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.889 1.357 -3.724 1.00 0.00 C ATOM 882 CD1 ILE A 63 -7.001 2.340 -1.552 1.00 0.00 C ATOM 0 H ILE A 63 -6.020 4.070 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.160 1.341 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.427 3.257 -4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.077 4.115 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.637 3.572 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.822 1.698 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.097 0.906 -4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.421 0.618 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.847 2.894 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.622 1.466 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.037 2.018 -1.946 1.00 0.00 H new ATOM 894 N LYS A 64 -6.912 2.274 -6.939 1.00 0.00 N ATOM 895 CA LYS A 64 -7.173 1.797 -8.293 1.00 0.00 C ATOM 896 C LYS A 64 -5.986 1.001 -8.826 1.00 0.00 C ATOM 897 O LYS A 64 -6.149 0.109 -9.660 1.00 0.00 O ATOM 898 CB LYS A 64 -7.468 2.976 -9.222 1.00 0.00 C ATOM 899 CG LYS A 64 -8.493 3.948 -8.664 1.00 0.00 C ATOM 900 CD LYS A 64 -9.882 3.333 -8.627 1.00 0.00 C ATOM 901 CE LYS A 64 -10.454 3.164 -10.026 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.859 2.670 -9.995 1.00 0.00 N ATOM 0 H LYS A 64 -6.731 3.276 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.043 1.141 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.540 3.513 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.825 2.594 -10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.200 4.249 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.510 4.851 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.839 2.363 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.545 3.964 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.416 4.118 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.836 2.465 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.213 2.568 -10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.892 1.747 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.455 3.349 -9.480 1.00 0.00 H new ATOM 916 N TYR A 65 -4.793 1.326 -8.339 1.00 0.00 N ATOM 917 CA TYR A 65 -3.580 0.641 -8.769 1.00 0.00 C ATOM 918 C TYR A 65 -3.392 -0.665 -8.003 1.00 0.00 C ATOM 919 O TYR A 65 -2.908 -1.655 -8.551 1.00 0.00 O ATOM 920 CB TYR A 65 -2.362 1.544 -8.566 1.00 0.00 C ATOM 921 CG TYR A 65 -1.243 1.280 -9.549 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.465 1.350 -10.919 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.035 0.960 -9.109 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.446 1.109 -11.821 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.059 0.719 -10.003 1.00 0.00 C ATOM 926 CZ TYR A 65 0.814 0.795 -11.358 1.00 0.00 C ATOM 927 OH TYR A 65 1.832 0.554 -12.253 1.00 0.00 O ATOM 0 H TYR A 65 -4.641 2.059 -7.647 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.680 0.408 -9.829 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.673 2.585 -8.653 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.984 1.408 -7.553 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.451 1.597 -11.285 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.231 0.899 -8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.636 1.166 -12.883 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.047 0.472 -9.643 1.00 0.00 H new ATOM 0 HH TYR A 65 2.656 0.348 -11.764 1.00 0.00 H new ATOM 937 N MET A 66 -3.780 -0.660 -6.732 1.00 0.00 N ATOM 938 CA MET A 66 -3.656 -1.844 -5.890 1.00 0.00 C ATOM 939 C MET A 66 -4.714 -2.882 -6.253 1.00 0.00 C ATOM 940 O MET A 66 -4.466 -4.086 -6.187 1.00 0.00 O ATOM 941 CB MET A 66 -3.784 -1.462 -4.414 1.00 0.00 C ATOM 942 CG MET A 66 -2.699 -2.062 -3.535 1.00 0.00 C ATOM 943 SD MET A 66 -2.975 -1.750 -1.780 1.00 0.00 S ATOM 944 CE MET A 66 -3.307 0.010 -1.798 1.00 0.00 C ATOM 0 H MET A 66 -4.183 0.151 -6.263 1.00 0.00 H new ATOM 0 HA MET A 66 -2.672 -2.280 -6.061 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.754 -0.376 -4.324 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.758 -1.785 -4.047 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.652 -3.138 -3.706 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.732 -1.650 -3.826 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.287 0.395 -0.778 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.547 0.518 -2.392 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.289 0.191 -2.234 1.00 0.00 H new ATOM 954 N LYS A 67 -5.895 -2.408 -6.636 1.00 0.00 N ATOM 955 CA LYS A 67 -6.991 -3.293 -7.011 1.00 0.00 C ATOM 956 C LYS A 67 -6.733 -3.932 -8.371 1.00 0.00 C ATOM 957 O LYS A 67 -7.082 -5.090 -8.600 1.00 0.00 O ATOM 958 CB LYS A 67 -8.311 -2.520 -7.041 1.00 0.00 C ATOM 959 CG LYS A 67 -8.404 -1.520 -8.180 1.00 0.00 C ATOM 960 CD LYS A 67 -9.744 -0.801 -8.183 1.00 0.00 C ATOM 961 CE LYS A 67 -10.867 -1.717 -8.644 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.679 -2.159 -10.053 1.00 0.00 N ATOM 0 H LYS A 67 -6.117 -1.414 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.058 -4.084 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.135 -3.228 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.435 -1.993 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.599 -0.791 -8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.264 -2.035 -9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.962 -0.432 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.690 0.068 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.914 -2.590 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.821 -1.198 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.581 -2.515 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.358 -1.355 -10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.967 -2.916 -10.087 1.00 0.00 H new ATOM 976 N ARG A 68 -6.118 -3.171 -9.271 1.00 0.00 N ATOM 977 CA ARG A 68 -5.813 -3.664 -10.608 1.00 0.00 C ATOM 978 C ARG A 68 -4.554 -4.525 -10.597 1.00 0.00 C ATOM 979 O ARG A 68 -4.345 -5.352 -11.487 1.00 0.00 O ATOM 980 CB ARG A 68 -5.635 -2.495 -11.578 1.00 0.00 C ATOM 981 CG ARG A 68 -4.307 -1.771 -11.423 1.00 0.00 C ATOM 982 CD ARG A 68 -4.194 -0.598 -12.384 1.00 0.00 C ATOM 983 NE ARG A 68 -5.380 0.253 -12.349 1.00 0.00 N ATOM 984 CZ ARG A 68 -5.661 1.160 -13.278 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.846 1.331 -14.310 1.00 0.00 N ATOM 986 NH2 ARG A 68 -6.759 1.896 -13.178 1.00 0.00 N ATOM 0 H ARG A 68 -5.821 -2.211 -9.098 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.650 -4.279 -10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.720 -2.866 -12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.447 -1.783 -11.429 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.204 -1.414 -10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.489 -2.468 -11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.315 -0.005 -12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.046 -0.972 -13.397 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.028 0.145 -11.569 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.001 0.765 -14.392 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.064 2.028 -15.022 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.390 1.766 -12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.973 2.592 -13.892 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.717 -4.327 -9.584 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.478 -5.085 -9.456 1.00 0.00 C ATOM 1002 C LEU A 69 -2.747 -6.481 -8.904 1.00 0.00 C ATOM 1003 O LEU A 69 -2.380 -7.483 -9.516 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.496 -4.344 -8.547 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.597 -3.313 -9.228 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.194 -2.527 -8.194 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.341 -3.992 -10.216 1.00 0.00 C ATOM 0 H LEU A 69 -3.874 -3.648 -8.840 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.039 -5.187 -10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.065 -3.840 -7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.861 -5.081 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.229 -2.616 -9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.828 -1.798 -8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.494 -2.009 -7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.816 -3.210 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.974 -3.242 -10.691 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.966 -4.712 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.244 -4.508 -10.977 1.00 0.00 H new ATOM 1019 N MET A 70 -3.393 -6.537 -7.743 1.00 0.00 N ATOM 1020 CA MET A 70 -3.716 -7.811 -7.109 1.00 0.00 C ATOM 1021 C MET A 70 -4.629 -8.645 -8.001 1.00 0.00 C ATOM 1022 O MET A 70 -4.647 -9.872 -7.908 1.00 0.00 O ATOM 1023 CB MET A 70 -4.383 -7.575 -5.754 1.00 0.00 C ATOM 1024 CG MET A 70 -3.399 -7.488 -4.598 1.00 0.00 C ATOM 1025 SD MET A 70 -2.551 -5.900 -4.524 1.00 0.00 S ATOM 1026 CE MET A 70 -2.061 -5.857 -2.802 1.00 0.00 C ATOM 0 H MET A 70 -3.703 -5.716 -7.223 1.00 0.00 H new ATOM 0 HA MET A 70 -2.787 -8.360 -6.957 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.961 -6.652 -5.799 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.088 -8.383 -5.560 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.930 -7.656 -3.661 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.661 -8.285 -4.693 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.680 -5.138 -2.265 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.189 -6.846 -2.362 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.015 -5.560 -2.729 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.384 -7.972 -8.863 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.299 -8.654 -9.770 1.00 0.00 C ATOM 1038 C GLN A 71 -5.536 -9.531 -10.757 1.00 0.00 C ATOM 1039 O GLN A 71 -5.912 -10.678 -11.001 1.00 0.00 O ATOM 1040 CB GLN A 71 -7.152 -7.634 -10.529 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.493 -7.354 -9.871 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.266 -6.251 -10.569 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.680 -5.372 -11.202 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.588 -6.293 -10.458 1.00 0.00 N ATOM 0 H GLN A 71 -5.380 -6.956 -8.952 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.951 -9.293 -9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.597 -6.700 -10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.323 -7.998 -11.542 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.090 -8.266 -9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.332 -7.076 -8.829 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.031 -7.040 -9.923 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.160 -5.578 -10.907 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.464 -8.984 -11.322 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.649 -9.718 -12.283 1.00 0.00 C ATOM 1055 C GLN A 72 -3.089 -10.992 -11.661 1.00 0.00 C ATOM 1056 O GLN A 72 -2.724 -11.931 -12.368 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.506 -8.838 -12.790 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.282 -8.853 -11.889 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.582 -7.509 -11.834 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.981 -6.560 -12.508 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.470 -7.422 -11.027 1.00 0.00 N ATOM 0 H GLN A 72 -4.140 -8.036 -11.131 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.285 -9.996 -13.124 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.217 -9.170 -13.787 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.863 -7.813 -12.887 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.580 -9.145 -10.882 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.582 -9.609 -12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.766 -8.234 -10.486 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.981 -6.543 -10.948 1.00 0.00 H new ATOM 1070 N SER A 73 -3.024 -11.018 -10.333 1.00 0.00 N ATOM 1071 CA SER A 73 -2.504 -12.176 -9.615 1.00 0.00 C ATOM 1072 C SER A 73 -3.627 -13.145 -9.261 1.00 0.00 C ATOM 1073 O SER A 73 -4.785 -12.748 -9.124 1.00 0.00 O ATOM 1074 CB SER A 73 -1.778 -11.731 -8.344 1.00 0.00 C ATOM 1075 OG SER A 73 -0.701 -12.600 -8.040 1.00 0.00 O ATOM 0 H SER A 73 -3.325 -10.250 -9.733 1.00 0.00 H new ATOM 0 HA SER A 73 -1.797 -12.690 -10.267 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.404 -10.715 -8.472 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.479 -11.710 -7.510 1.00 0.00 H new ATOM 0 HG SER A 73 -0.253 -12.293 -7.225 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.277 -14.419 -9.114 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.254 -15.447 -8.774 1.00 0.00 C ATOM 1083 C VAL A 74 -4.077 -15.920 -7.336 1.00 0.00 C ATOM 1084 O VAL A 74 -4.998 -16.475 -6.738 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.146 -16.658 -9.719 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -2.922 -17.494 -9.377 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -5.412 -17.499 -9.653 1.00 0.00 C ATOM 0 H VAL A 74 -2.324 -14.764 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.240 -14.996 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.033 -16.292 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.862 -18.345 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.024 -16.884 -9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.001 -17.852 -8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.319 -18.351 -10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.558 -17.857 -8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.267 -16.893 -9.951 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.887 -15.695 -6.787 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.590 -16.099 -5.418 1.00 0.00 C ATOM 1099 C GLU A 75 -3.656 -15.585 -4.455 1.00 0.00 C ATOM 1100 O GLU A 75 -3.899 -14.381 -4.368 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.213 -15.580 -4.997 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.090 -16.013 -5.924 1.00 0.00 C ATOM 1103 CD GLU A 75 0.491 -17.362 -5.545 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.086 -18.392 -5.951 1.00 0.00 O ATOM 1105 OE2 GLU A 75 1.523 -17.387 -4.841 1.00 0.00 O ATOM 0 H GLU A 75 -2.114 -15.236 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.587 -17.188 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.241 -14.491 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.995 -15.930 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.465 -16.057 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.701 -15.263 -5.906 1.00 0.00 H new ATOM 1112 N SER A 76 -4.288 -16.506 -3.734 1.00 0.00 N ATOM 1113 CA SER A 76 -5.331 -16.146 -2.781 1.00 0.00 C ATOM 1114 C SER A 76 -4.798 -15.173 -1.734 1.00 0.00 C ATOM 1115 O SER A 76 -5.538 -14.339 -1.210 1.00 0.00 O ATOM 1116 CB SER A 76 -5.879 -17.400 -2.096 1.00 0.00 C ATOM 1117 OG SER A 76 -6.059 -18.452 -3.027 1.00 0.00 O ATOM 0 H SER A 76 -4.096 -17.506 -3.792 1.00 0.00 H new ATOM 0 HA SER A 76 -6.137 -15.657 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.193 -17.718 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.829 -17.169 -1.615 1.00 0.00 H new ATOM 0 HG SER A 76 -6.408 -19.242 -2.564 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.507 -15.284 -1.433 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.873 -14.414 -0.451 1.00 0.00 C ATOM 1125 C VAL A 77 -2.888 -12.961 -0.913 1.00 0.00 C ATOM 1126 O VAL A 77 -3.085 -12.046 -0.114 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.420 -14.841 -0.178 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.609 -14.828 -1.466 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.786 -13.937 0.869 1.00 0.00 C ATOM 0 H VAL A 77 -2.880 -15.969 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.448 -14.504 0.470 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.426 -15.859 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.416 -15.133 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.052 -15.520 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.609 -13.822 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.241 -14.254 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.791 -12.907 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.354 -14.001 1.797 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.675 -12.756 -2.208 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.664 -11.414 -2.778 1.00 0.00 C ATOM 1141 C TRP A 78 -4.081 -10.866 -2.910 1.00 0.00 C ATOM 1142 O TRP A 78 -4.343 -9.712 -2.573 1.00 0.00 O ATOM 1143 CB TRP A 78 -1.978 -11.423 -4.144 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.490 -11.260 -4.064 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.455 -12.179 -4.420 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.221 -10.110 -3.596 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.712 -11.669 -4.201 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.596 -10.401 -3.697 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.168 -8.861 -3.103 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.580 -9.489 -3.322 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.809 -7.958 -2.731 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.170 -8.275 -2.843 1.00 0.00 C ATOM 0 H TRP A 78 -2.508 -13.502 -2.883 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.105 -10.765 -2.103 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.207 -12.360 -4.651 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.392 -10.621 -4.755 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.245 -13.162 -4.815 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.589 -12.156 -4.384 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.214 -8.607 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.629 -9.732 -3.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.519 -6.991 -2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.909 -7.546 -2.545 1.00 0.00 H new ATOM 1163 N ASN A 79 -4.990 -11.701 -3.402 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.381 -11.299 -3.578 1.00 0.00 C ATOM 1165 C ASN A 79 -7.039 -11.014 -2.232 1.00 0.00 C ATOM 1166 O ASN A 79 -7.784 -10.046 -2.087 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.158 -12.390 -4.318 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.739 -12.513 -5.771 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.185 -11.747 -6.625 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.876 -13.482 -6.057 1.00 0.00 N ATOM 0 H ASN A 79 -4.789 -12.660 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.397 -10.384 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.005 -13.345 -3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.225 -12.171 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.557 -13.614 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.532 -14.094 -5.317 1.00 0.00 H new ATOM 1177 N MET A 80 -6.760 -11.865 -1.250 1.00 0.00 N ATOM 1178 CA MET A 80 -7.323 -11.702 0.085 1.00 0.00 C ATOM 1179 C MET A 80 -6.682 -10.521 0.806 1.00 0.00 C ATOM 1180 O MET A 80 -7.364 -9.753 1.484 1.00 0.00 O ATOM 1181 CB MET A 80 -7.128 -12.982 0.902 1.00 0.00 C ATOM 1182 CG MET A 80 -8.070 -14.107 0.505 1.00 0.00 C ATOM 1183 SD MET A 80 -8.377 -15.264 1.852 1.00 0.00 S ATOM 1184 CE MET A 80 -9.334 -16.521 1.008 1.00 0.00 C ATOM 0 H MET A 80 -6.148 -12.674 -1.354 1.00 0.00 H new ATOM 0 HA MET A 80 -8.390 -11.504 -0.019 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.099 -13.323 0.787 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.272 -12.754 1.958 1.00 0.00 H new ATOM 0 HG2 MET A 80 -9.017 -13.682 0.173 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.648 -14.646 -0.343 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.601 -17.309 1.712 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.242 -16.075 0.601 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.743 -16.945 0.196 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.369 -10.384 0.656 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.638 -9.295 1.292 1.00 0.00 C ATOM 1196 C ALA A 81 -5.264 -7.945 0.960 1.00 0.00 C ATOM 1197 O ALA A 81 -5.582 -7.160 1.854 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.177 -9.320 0.865 1.00 0.00 C ATOM 0 H ALA A 81 -4.790 -11.013 0.100 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.693 -9.436 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.643 -8.501 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.728 -10.269 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.112 -9.208 -0.217 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.441 -7.679 -0.330 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.029 -6.424 -0.780 1.00 0.00 C ATOM 1206 C PHE A 82 -7.352 -6.157 -0.068 1.00 0.00 C ATOM 1207 O PHE A 82 -7.614 -5.041 0.380 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.246 -6.450 -2.293 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.025 -5.274 -2.808 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.629 -3.980 -2.510 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.153 -5.462 -3.592 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.345 -2.896 -2.982 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -8.872 -4.382 -4.067 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.467 -3.097 -3.762 1.00 0.00 C ATOM 0 H PHE A 82 -5.185 -8.318 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.336 -5.619 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.277 -6.479 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.770 -7.368 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.751 -3.817 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.473 -6.465 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.027 -1.892 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.749 -4.542 -4.676 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.027 -2.251 -4.133 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.182 -7.190 0.029 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.478 -7.069 0.686 1.00 0.00 C ATOM 1226 C ASP A 83 -9.328 -6.471 2.080 1.00 0.00 C ATOM 1227 O ASP A 83 -10.097 -5.596 2.478 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.159 -8.436 0.773 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.581 -8.344 1.290 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.430 -7.755 0.589 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -11.844 -8.859 2.396 1.00 0.00 O ATOM 0 H ASP A 83 -7.980 -8.120 -0.339 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.099 -6.400 0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.164 -8.899 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.579 -9.086 1.428 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.332 -6.949 2.820 1.00 0.00 N ATOM 1237 CA PHE A 84 -8.082 -6.464 4.171 1.00 0.00 C ATOM 1238 C PHE A 84 -7.427 -5.086 4.142 1.00 0.00 C ATOM 1239 O PHE A 84 -7.842 -4.173 4.856 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.192 -7.448 4.934 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.810 -6.972 6.306 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.610 -7.258 7.400 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.651 -6.238 6.501 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -7.261 -6.822 8.664 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -5.297 -5.800 7.763 1.00 0.00 C ATOM 1246 CZ PHE A 84 -6.104 -6.091 8.846 1.00 0.00 C ATOM 0 H PHE A 84 -7.685 -7.672 2.505 1.00 0.00 H new ATOM 0 HA PHE A 84 -9.041 -6.381 4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.711 -8.403 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.286 -7.629 4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.517 -7.828 7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.018 -6.006 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.893 -7.053 9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.390 -5.231 7.903 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.830 -5.747 9.833 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.400 -4.945 3.311 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.687 -3.679 3.188 1.00 0.00 C ATOM 1258 C ILE A 85 -6.651 -2.529 2.916 1.00 0.00 C ATOM 1259 O ILE A 85 -6.696 -1.552 3.666 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.639 -3.732 2.060 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.617 -4.836 2.335 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.945 -2.384 1.919 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.936 -5.353 1.087 1.00 0.00 C ATOM 0 H ILE A 85 -6.043 -5.691 2.713 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.180 -3.508 4.138 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.147 -3.958 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.860 -4.457 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.116 -5.665 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.207 -2.437 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.683 -1.618 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.447 -2.131 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.225 -6.133 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.684 -5.763 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.408 -4.536 0.595 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.423 -2.652 1.842 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.389 -1.623 1.473 1.00 0.00 C ATOM 1277 C LEU A 86 -9.421 -1.424 2.577 1.00 0.00 C ATOM 1278 O LEU A 86 -9.806 -0.295 2.884 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.090 -2.000 0.166 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.017 -3.215 0.228 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.434 -2.788 0.577 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -9.995 -3.970 -1.092 1.00 0.00 C ATOM 0 H LEU A 86 -7.399 -3.454 1.212 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.850 -0.686 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.671 -1.142 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.328 -2.187 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.658 -3.883 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.079 -3.666 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.436 -2.292 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.804 -2.100 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.660 -4.831 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.329 -3.311 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.980 -4.310 -1.300 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.863 -2.525 3.174 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.848 -2.471 4.248 1.00 0.00 C ATOM 1296 C ASP A 87 -10.344 -1.611 5.404 1.00 0.00 C ATOM 1297 O ASP A 87 -11.132 -0.991 6.115 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.168 -3.881 4.747 1.00 0.00 C ATOM 1299 CG ASP A 87 -12.004 -3.872 6.012 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -13.235 -3.700 5.908 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.424 -4.037 7.106 1.00 0.00 O ATOM 0 H ASP A 87 -9.555 -3.467 2.932 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.757 -2.019 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.700 -4.427 3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.237 -4.417 4.934 1.00 0.00 H new ATOM 1306 N ASN A 88 -9.028 -1.582 5.584 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.421 -0.801 6.654 1.00 0.00 C ATOM 1308 C ASN A 88 -8.447 0.689 6.322 1.00 0.00 C ATOM 1309 O ASN A 88 -9.002 1.493 7.071 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.980 -1.256 6.892 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.884 -2.346 7.942 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -6.088 -2.253 8.878 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.696 -3.385 7.792 1.00 0.00 N ATOM 0 H ASN A 88 -8.362 -2.090 5.003 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.001 -0.964 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.557 -1.619 5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.379 -0.402 7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.677 -4.149 8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.339 -3.420 7.001 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.842 1.048 5.194 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.797 2.440 4.761 1.00 0.00 C ATOM 1322 C VAL A 89 -9.201 3.006 4.584 1.00 0.00 C ATOM 1323 O VAL A 89 -9.427 4.200 4.775 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.023 2.591 3.438 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.640 1.970 3.554 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.803 1.966 2.291 1.00 0.00 C ATOM 0 H VAL A 89 -7.377 0.395 4.564 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.280 2.998 5.541 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.901 3.654 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.108 2.087 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.083 2.468 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.736 0.910 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.242 2.082 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.958 0.906 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.769 2.462 2.195 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.140 2.141 4.216 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.524 2.554 4.012 1.00 0.00 C ATOM 1338 C GLN A 90 -12.239 2.737 5.347 1.00 0.00 C ATOM 1339 O GLN A 90 -13.155 3.551 5.466 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.265 1.526 3.158 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.897 1.579 1.684 1.00 0.00 C ATOM 1342 CD GLN A 90 -11.887 2.992 1.136 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -10.975 3.380 0.405 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.904 3.770 1.487 1.00 0.00 N ATOM 0 H GLN A 90 -9.968 1.149 4.053 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.519 3.511 3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.053 0.528 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.338 1.686 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.913 1.132 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.606 0.977 1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.638 3.407 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.951 4.731 1.149 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.815 1.974 6.349 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.415 2.052 7.675 1.00 0.00 C ATOM 1355 C VAL A 91 -11.881 3.250 8.451 1.00 0.00 C ATOM 1356 O VAL A 91 -12.646 4.012 9.043 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.151 0.770 8.488 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.269 1.048 9.978 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.107 -0.335 8.065 1.00 0.00 C ATOM 0 H VAL A 91 -11.058 1.295 6.268 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.489 2.166 7.529 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.133 0.436 8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.079 0.131 10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.539 1.805 10.266 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.273 1.408 10.203 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.906 -1.233 8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.134 -0.013 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.966 -0.552 7.006 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.561 3.414 8.443 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.924 4.522 9.145 1.00 0.00 C ATOM 1371 C VAL A 92 -10.529 5.857 8.728 1.00 0.00 C ATOM 1372 O VAL A 92 -10.811 6.713 9.568 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.407 4.554 8.881 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.124 4.555 7.385 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.775 5.763 9.552 1.00 0.00 C ATOM 0 H VAL A 92 -9.913 2.794 7.958 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.098 4.365 10.210 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.963 3.656 9.310 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.047 4.578 7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.542 3.654 6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.580 5.434 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.703 5.770 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.222 6.674 9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.946 5.713 10.627 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.729 6.029 7.426 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.302 7.261 6.896 1.00 0.00 C ATOM 1387 C LEU A 93 -12.801 7.329 7.174 1.00 0.00 C ATOM 1388 O LEU A 93 -13.374 8.413 7.279 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.046 7.361 5.391 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.124 6.761 4.486 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.190 7.797 4.166 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.504 6.218 3.206 1.00 0.00 C ATOM 0 H LEU A 93 -10.503 5.331 6.718 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.820 8.101 7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.926 8.413 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.099 6.869 5.170 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.598 5.935 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.948 7.352 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.655 8.138 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.732 8.645 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.285 5.795 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.004 7.026 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.778 5.443 3.453 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.428 6.163 7.294 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.858 6.090 7.562 1.00 0.00 C ATOM 1406 C GLN A 94 -15.178 6.606 8.962 1.00 0.00 C ATOM 1407 O GLN A 94 -16.296 7.043 9.231 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.355 4.651 7.412 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.753 4.428 7.964 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.236 3.003 7.775 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.363 2.771 7.337 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.382 2.040 8.104 1.00 0.00 N ATOM 0 H GLN A 94 -12.968 5.257 7.210 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.369 6.722 6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.343 4.380 6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.662 3.981 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.763 4.673 9.026 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.446 5.111 7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.458 2.279 8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.651 1.062 7.997 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.187 6.552 9.847 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.364 7.014 11.219 1.00 0.00 C ATOM 1423 C GLN A 95 -14.265 8.532 11.299 1.00 0.00 C ATOM 1424 O GLN A 95 -14.954 9.170 12.096 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.319 6.373 12.133 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.278 4.856 12.042 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.868 4.203 13.347 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.713 3.848 14.169 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.565 4.040 13.545 1.00 0.00 N ATOM 0 H GLN A 95 -13.255 6.194 9.639 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.358 6.716 11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.336 6.770 11.881 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.525 6.661 13.164 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.261 4.487 11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.580 4.562 11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.899 4.349 12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.230 3.606 14.405 1.00 0.00 H new ATOM 1438 N THR A 96 -13.401 9.109 10.468 1.00 0.00 N ATOM 1439 CA THR A 96 -13.210 10.554 10.447 1.00 0.00 C ATOM 1440 C THR A 96 -14.218 11.228 9.523 1.00 0.00 C ATOM 1441 O THR A 96 -14.641 12.359 9.768 1.00 0.00 O ATOM 1442 CB THR A 96 -11.787 10.926 9.992 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.534 12.311 10.254 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.600 10.642 8.510 1.00 0.00 C ATOM 0 H THR A 96 -12.823 8.597 9.801 1.00 0.00 H new ATOM 0 HA THR A 96 -13.362 10.908 11.467 1.00 0.00 H new ATOM 0 HB THR A 96 -11.080 10.316 10.554 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.626 12.538 9.963 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.587 10.913 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.763 9.581 8.319 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.316 11.228 7.934 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.600 10.527 8.461 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.558 11.060 7.498 1.00 0.00 C ATOM 1454 C TYR A 97 -16.970 10.571 7.809 1.00 0.00 C ATOM 1455 O TYR A 97 -17.900 11.367 7.941 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.166 10.652 6.078 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.031 11.469 5.505 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.251 12.753 5.017 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.740 10.960 5.449 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.216 13.503 4.492 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.700 11.705 4.927 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.943 12.975 4.450 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.910 13.719 3.927 1.00 0.00 O ATOM 0 H TYR A 97 -14.262 9.589 8.245 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.544 12.147 7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.882 9.600 6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.036 10.748 5.428 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.247 13.170 5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.546 9.965 5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.403 14.498 4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.702 11.294 4.893 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.223 13.852 4.613 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.123 9.256 7.924 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.423 8.682 8.217 1.00 0.00 C ATOM 1475 C GLY A 98 -18.897 7.734 7.135 1.00 0.00 C ATOM 1476 O GLY A 98 -19.785 6.913 7.364 1.00 0.00 O ATOM 0 H GLY A 98 -16.369 8.577 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.375 8.149 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.152 9.484 8.337 1.00 0.00 H new ATOM 1480 N SER A 99 -18.303 7.846 5.951 1.00 0.00 N ATOM 1481 CA SER A 99 -18.673 6.996 4.826 1.00 0.00 C ATOM 1482 C SER A 99 -17.452 6.273 4.266 1.00 0.00 C ATOM 1483 O SER A 99 -16.344 6.405 4.786 1.00 0.00 O ATOM 1484 CB SER A 99 -19.337 7.827 3.726 1.00 0.00 C ATOM 1485 OG SER A 99 -20.543 8.412 4.187 1.00 0.00 O ATOM 0 H SER A 99 -17.563 8.518 5.746 1.00 0.00 H new ATOM 0 HA SER A 99 -19.382 6.250 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.654 8.609 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.543 7.195 2.862 1.00 0.00 H new ATOM 0 HG SER A 99 -20.947 8.939 3.466 1.00 0.00 H new ATOM 1491 N THR A 100 -17.662 5.506 3.200 1.00 0.00 N ATOM 1492 CA THR A 100 -16.581 4.761 2.569 1.00 0.00 C ATOM 1493 C THR A 100 -16.633 4.896 1.052 1.00 0.00 C ATOM 1494 O THR A 100 -17.512 5.565 0.507 1.00 0.00 O ATOM 1495 CB THR A 100 -16.635 3.268 2.943 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.838 2.679 2.438 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.568 3.085 4.451 1.00 0.00 C ATOM 0 H THR A 100 -18.572 5.385 2.756 1.00 0.00 H new ATOM 0 HA THR A 100 -15.647 5.186 2.937 1.00 0.00 H new ATOM 0 HB THR A 100 -15.774 2.773 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.863 1.729 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.608 2.022 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.636 3.507 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.412 3.594 4.917 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.688 4.255 0.373 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.626 4.303 -1.084 1.00 0.00 C ATOM 1507 C LEU A 101 -16.019 2.960 -1.690 1.00 0.00 C ATOM 1508 O LEU A 101 -15.929 1.921 -1.035 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.219 4.690 -1.543 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.646 5.974 -0.940 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -12.129 5.977 -1.034 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.227 7.195 -1.638 1.00 0.00 C ATOM 0 H LEU A 101 -14.954 3.696 0.808 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.334 5.057 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.543 3.868 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.228 4.794 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.924 6.014 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.739 6.898 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.729 5.122 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.829 5.913 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.809 8.100 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.979 7.160 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.310 7.201 -1.519 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.453 2.987 -2.946 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.856 1.771 -3.642 1.00 0.00 C ATOM 1526 C LYS A 102 -15.700 1.203 -4.459 1.00 0.00 C ATOM 1527 O LYS A 102 -14.931 1.949 -5.067 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.050 2.056 -4.557 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.613 0.814 -5.226 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.015 -0.236 -4.203 1.00 0.00 C ATOM 1531 CE LYS A 102 -19.590 -1.474 -4.872 1.00 0.00 C ATOM 1532 NZ LYS A 102 -20.210 -2.401 -3.886 1.00 0.00 N ATOM 0 H LYS A 102 -16.535 3.838 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.146 1.033 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.838 2.534 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.747 2.767 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.479 1.086 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.869 0.396 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.147 -0.514 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.752 0.185 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.336 -1.175 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -18.800 -1.995 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.590 -3.232 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.492 -2.707 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.981 -1.913 -3.388 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.583 -0.121 -4.471 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.523 -0.788 -5.216 1.00 0.00 C ATOM 1548 C VAL A 103 -15.088 -1.567 -6.398 1.00 0.00 C ATOM 1549 O VAL A 103 -15.293 -2.779 -6.319 1.00 0.00 O ATOM 1550 CB VAL A 103 -13.726 -1.752 -4.315 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -14.665 -2.688 -3.572 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -12.717 -2.538 -5.139 1.00 0.00 C ATOM 0 H VAL A 103 -16.210 -0.753 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.856 -0.009 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.180 -1.165 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.084 -3.361 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.344 -2.104 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.241 -3.271 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.163 -3.214 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.241 -3.116 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.024 -1.848 -5.620 1.00 0.00 H new ATOM 1562 N THR A 104 -15.338 -0.862 -7.498 1.00 0.00 N ATOM 1563 CA THR A 104 -15.879 -1.486 -8.699 1.00 0.00 C ATOM 1564 C THR A 104 -14.816 -2.306 -9.420 1.00 0.00 C ATOM 1565 O THR A 104 -14.900 -2.525 -10.629 1.00 0.00 O ATOM 1566 CB THR A 104 -16.448 -0.434 -9.670 1.00 0.00 C ATOM 1567 OG1 THR A 104 -15.448 0.546 -9.971 1.00 0.00 O ATOM 1568 CG2 THR A 104 -17.670 0.247 -9.076 1.00 0.00 C ATOM 0 H THR A 104 -15.174 0.141 -7.581 1.00 0.00 H new ATOM 0 HA THR A 104 -16.685 -2.146 -8.377 1.00 0.00 H new ATOM 0 HB THR A 104 -16.746 -0.942 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 104 -15.817 1.210 -10.590 1.00 0.00 H new ATOM 0 HG21 THR A 104 -18.053 0.985 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 104 -18.440 -0.498 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 104 -17.394 0.743 -8.145 1.00 0.00 H new TER 1576 THR A 104