USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 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 46 CYS SG : rot -61:sc= 0.837 USER MOD Set 1.2: A 48 THR OG1 : rot -76:sc= 2.16 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 160:sc= 1.41 (180deg=0.635) USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= 0.12 (180deg=-0.788) USER MOD Single : A 18 HIS : no HD1:sc= -6.53! C(o=-6.5!,f=-6.8!) USER MOD Single : A 20 GLN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -1.14 F(o=-4!,f=-1.1) USER MOD Single : A 33 TYR OH : rot 130:sc= -0.341 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -3.99 K(o=-4,f=-5.7!) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 47 ASN : amide:sc= -6.18! C(o=-6.2!,f=-8.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0.0132 (180deg=-0.0169) USER MOD Single : A 60 GLN : amide:sc= -0.418 K(o=-0.42,f=-3.4!) USER MOD Single : A 61 LYS NZ :NH3+ -117:sc=0.000542 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 80:sc= -0.94 USER MOD Single : A 75 GLN : amide:sc= -0.0888 K(o=-0.089,f=-0.92) USER MOD Single : A 77 MET CE :methyl 179:sc= 0 (180deg=-0.00105) USER MOD Single : A 78 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 80 TYR OH : rot -130:sc= -2.23 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.380 17.625 -9.503 1.00 0.00 N ATOM 67 CA LEU A 8 -9.454 16.512 -9.321 1.00 0.00 C ATOM 68 C LEU A 8 -9.537 15.961 -7.901 1.00 0.00 C ATOM 69 O LEU A 8 -9.797 14.775 -7.699 1.00 0.00 O ATOM 70 CB LEU A 8 -8.023 16.959 -9.624 1.00 0.00 C ATOM 71 CG LEU A 8 -7.073 15.871 -10.125 1.00 0.00 C ATOM 72 CD1 LEU A 8 -6.983 14.735 -9.119 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.526 15.350 -11.481 1.00 0.00 C ATOM 0 HA LEU A 8 -9.735 15.720 -10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.062 17.752 -10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.600 17.394 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.081 16.307 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.302 13.970 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.611 15.119 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.972 14.300 -8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.838 14.576 -11.822 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.528 14.931 -11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.536 16.169 -12.200 1.00 0.00 H new ATOM 85 N ALA A 9 -9.318 16.831 -6.920 1.00 0.00 N ATOM 86 CA ALA A 9 -9.372 16.433 -5.519 1.00 0.00 C ATOM 87 C ALA A 9 -10.635 15.631 -5.225 1.00 0.00 C ATOM 88 O ALA A 9 -10.566 14.506 -4.731 1.00 0.00 O ATOM 89 CB ALA A 9 -9.301 17.658 -4.619 1.00 0.00 C ATOM 0 H ALA A 9 -9.101 17.816 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.512 15.795 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.342 17.346 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.367 18.190 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.142 18.317 -4.834 1.00 0.00 H new ATOM 95 N GLU A 10 -11.788 16.218 -5.532 1.00 0.00 N ATOM 96 CA GLU A 10 -13.067 15.557 -5.298 1.00 0.00 C ATOM 97 C GLU A 10 -12.952 14.053 -5.529 1.00 0.00 C ATOM 98 O GLU A 10 -13.439 13.251 -4.730 1.00 0.00 O ATOM 99 CB GLU A 10 -14.144 16.144 -6.212 1.00 0.00 C ATOM 100 CG GLU A 10 -13.686 16.333 -7.648 1.00 0.00 C ATOM 101 CD GLU A 10 -14.801 16.812 -8.558 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.606 15.969 -9.006 1.00 0.00 O ATOM 103 OE2 GLU A 10 -14.869 18.031 -8.821 1.00 0.00 O ATOM 0 H GLU A 10 -11.863 17.149 -5.943 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.350 15.727 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.015 15.489 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.464 17.106 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.868 17.053 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.293 15.390 -8.027 1.00 0.00 H new ATOM 110 N LEU A 11 -12.305 13.677 -6.627 1.00 0.00 N ATOM 111 CA LEU A 11 -12.126 12.269 -6.965 1.00 0.00 C ATOM 112 C LEU A 11 -11.220 11.577 -5.952 1.00 0.00 C ATOM 113 O LEU A 11 -11.567 10.528 -5.407 1.00 0.00 O ATOM 114 CB LEU A 11 -11.537 12.132 -8.370 1.00 0.00 C ATOM 115 CG LEU A 11 -12.538 12.184 -9.525 1.00 0.00 C ATOM 116 CD1 LEU A 11 -13.521 11.027 -9.431 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.276 13.515 -9.533 1.00 0.00 C ATOM 0 H LEU A 11 -11.896 14.327 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.104 11.788 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.805 12.926 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.997 11.187 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.988 12.092 -10.462 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.226 11.080 -10.261 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.978 10.083 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.065 11.088 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.984 13.534 -10.362 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.814 13.638 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.559 14.328 -9.650 1.00 0.00 H new ATOM 129 N PHE A 12 -10.058 12.171 -5.702 1.00 0.00 N ATOM 130 CA PHE A 12 -9.102 11.613 -4.753 1.00 0.00 C ATOM 131 C PHE A 12 -9.795 11.214 -3.453 1.00 0.00 C ATOM 132 O PHE A 12 -9.380 10.270 -2.781 1.00 0.00 O ATOM 133 CB PHE A 12 -7.990 12.623 -4.462 1.00 0.00 C ATOM 134 CG PHE A 12 -7.024 12.164 -3.407 1.00 0.00 C ATOM 135 CD1 PHE A 12 -7.266 12.422 -2.068 1.00 0.00 C ATOM 136 CD2 PHE A 12 -5.874 11.474 -3.756 1.00 0.00 C ATOM 137 CE1 PHE A 12 -6.378 12.001 -1.096 1.00 0.00 C ATOM 138 CE2 PHE A 12 -4.983 11.050 -2.788 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.236 11.314 -1.456 1.00 0.00 C ATOM 0 H PHE A 12 -9.756 13.039 -6.144 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.664 10.720 -5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.442 12.823 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.439 13.565 -4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.158 12.958 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.672 11.265 -4.796 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.578 12.209 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.090 10.513 -3.073 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.542 10.984 -0.698 1.00 0.00 H new ATOM 149 N GLU A 13 -10.853 11.941 -3.106 1.00 0.00 N ATOM 150 CA GLU A 13 -11.603 11.664 -1.887 1.00 0.00 C ATOM 151 C GLU A 13 -12.409 10.375 -2.025 1.00 0.00 C ATOM 152 O GLU A 13 -12.359 9.502 -1.158 1.00 0.00 O ATOM 153 CB GLU A 13 -12.537 12.830 -1.560 1.00 0.00 C ATOM 154 CG GLU A 13 -11.809 14.136 -1.287 1.00 0.00 C ATOM 155 CD GLU A 13 -11.433 14.300 0.173 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.192 13.274 0.843 1.00 0.00 O ATOM 157 OE2 GLU A 13 -11.380 15.455 0.645 1.00 0.00 O ATOM 0 H GLU A 13 -11.209 12.726 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.889 11.541 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.227 12.976 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.138 12.570 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.907 14.179 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.441 14.970 -1.592 1.00 0.00 H new ATOM 164 N LYS A 14 -13.152 10.264 -3.120 1.00 0.00 N ATOM 165 CA LYS A 14 -13.970 9.083 -3.374 1.00 0.00 C ATOM 166 C LYS A 14 -13.099 7.838 -3.507 1.00 0.00 C ATOM 167 O LYS A 14 -13.255 6.877 -2.753 1.00 0.00 O ATOM 168 CB LYS A 14 -14.799 9.276 -4.646 1.00 0.00 C ATOM 169 CG LYS A 14 -16.062 10.092 -4.430 1.00 0.00 C ATOM 170 CD LYS A 14 -16.671 10.537 -5.749 1.00 0.00 C ATOM 171 CE LYS A 14 -16.083 11.860 -6.216 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.441 12.980 -5.302 1.00 0.00 N ATOM 0 H LYS A 14 -13.205 10.978 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.642 8.947 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.184 9.767 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.071 8.299 -5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.789 9.499 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.832 10.966 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.498 9.773 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.751 10.637 -5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.998 11.774 -6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.442 12.082 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.943 13.717 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.055 12.625 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.575 13.381 -4.889 1.00 0.00 H new ATOM 186 N ALA A 15 -12.182 7.861 -4.468 1.00 0.00 N ATOM 187 CA ALA A 15 -11.285 6.735 -4.696 1.00 0.00 C ATOM 188 C ALA A 15 -10.745 6.188 -3.379 1.00 0.00 C ATOM 189 O ALA A 15 -10.801 4.985 -3.126 1.00 0.00 O ATOM 190 CB ALA A 15 -10.140 7.149 -5.608 1.00 0.00 C ATOM 0 H ALA A 15 -12.041 8.648 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.853 5.942 -5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.478 6.298 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.540 7.485 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.581 7.961 -5.144 1.00 0.00 H new ATOM 196 N ALA A 16 -10.220 7.080 -2.545 1.00 0.00 N ATOM 197 CA ALA A 16 -9.671 6.686 -1.253 1.00 0.00 C ATOM 198 C ALA A 16 -10.596 5.707 -0.539 1.00 0.00 C ATOM 199 O ALA A 16 -10.152 4.678 -0.029 1.00 0.00 O ATOM 200 CB ALA A 16 -9.428 7.913 -0.387 1.00 0.00 C ATOM 0 H ALA A 16 -10.163 8.079 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.719 6.184 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.018 7.604 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.722 8.577 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.370 8.438 -0.228 1.00 0.00 H new ATOM 206 N ALA A 17 -11.883 6.034 -0.504 1.00 0.00 N ATOM 207 CA ALA A 17 -12.871 5.182 0.147 1.00 0.00 C ATOM 208 C ALA A 17 -12.986 3.835 -0.559 1.00 0.00 C ATOM 209 O ALA A 17 -13.276 2.816 0.068 1.00 0.00 O ATOM 210 CB ALA A 17 -14.224 5.877 0.186 1.00 0.00 C ATOM 0 H ALA A 17 -12.267 6.883 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.539 4.999 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.952 5.229 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.138 6.810 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.553 6.090 -0.831 1.00 0.00 H new ATOM 216 N HIS A 18 -12.757 3.838 -1.869 1.00 0.00 N ATOM 217 CA HIS A 18 -12.835 2.616 -2.661 1.00 0.00 C ATOM 218 C HIS A 18 -11.639 1.710 -2.382 1.00 0.00 C ATOM 219 O HIS A 18 -11.753 0.484 -2.422 1.00 0.00 O ATOM 220 CB HIS A 18 -12.898 2.952 -4.151 1.00 0.00 C ATOM 221 CG HIS A 18 -13.664 1.950 -4.959 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.802 1.324 -4.498 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.451 1.469 -6.206 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.255 0.499 -5.425 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.453 0.569 -6.472 1.00 0.00 N ATOM 0 H HIS A 18 -12.516 4.673 -2.404 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.744 2.086 -2.377 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.356 3.933 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.883 3.023 -4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.643 1.742 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.132 -0.126 -5.341 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.561 0.040 -7.338 1.00 0.00 H new ATOM 234 N LEU A 19 -10.494 2.321 -2.099 1.00 0.00 N ATOM 235 CA LEU A 19 -9.276 1.570 -1.814 1.00 0.00 C ATOM 236 C LEU A 19 -9.561 0.411 -0.864 1.00 0.00 C ATOM 237 O LEU A 19 -9.235 -0.739 -1.158 1.00 0.00 O ATOM 238 CB LEU A 19 -8.215 2.491 -1.209 1.00 0.00 C ATOM 239 CG LEU A 19 -6.761 2.122 -1.501 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.817 3.150 -0.896 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.446 0.730 -0.972 1.00 0.00 C ATOM 0 H LEU A 19 -10.383 3.334 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.902 1.163 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.392 3.503 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.354 2.511 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.618 2.119 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.786 2.870 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.025 4.131 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.962 3.186 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.406 0.485 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.607 0.705 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.099 0.002 -1.453 1.00 0.00 H new ATOM 253 N GLN A 20 -10.173 0.722 0.274 1.00 0.00 N ATOM 254 CA GLN A 20 -10.504 -0.295 1.266 1.00 0.00 C ATOM 255 C GLN A 20 -11.342 -1.408 0.646 1.00 0.00 C ATOM 256 O GLN A 20 -11.321 -2.547 1.111 1.00 0.00 O ATOM 257 CB GLN A 20 -11.257 0.334 2.439 1.00 0.00 C ATOM 258 CG GLN A 20 -10.445 1.371 3.198 1.00 0.00 C ATOM 259 CD GLN A 20 -9.646 0.768 4.336 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.034 0.864 5.501 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.523 0.142 4.005 1.00 0.00 N ATOM 0 H GLN A 20 -10.450 1.669 0.532 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.573 -0.728 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.169 0.801 2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.561 -0.453 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.766 1.871 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.116 2.133 3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.239 0.086 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.944 -0.283 4.729 1.00 0.00 H new ATOM 270 N GLY A 21 -12.080 -1.070 -0.407 1.00 0.00 N ATOM 271 CA GLY A 21 -12.915 -2.052 -1.074 1.00 0.00 C ATOM 272 C GLY A 21 -12.194 -2.753 -2.208 1.00 0.00 C ATOM 273 O GLY A 21 -12.661 -3.775 -2.713 1.00 0.00 O ATOM 0 H GLY A 21 -12.115 -0.134 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.250 -2.793 -0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.807 -1.561 -1.463 1.00 0.00 H new ATOM 277 N LEU A 22 -11.054 -2.203 -2.612 1.00 0.00 N ATOM 278 CA LEU A 22 -10.268 -2.780 -3.696 1.00 0.00 C ATOM 279 C LEU A 22 -8.971 -3.385 -3.166 1.00 0.00 C ATOM 280 O LEU A 22 -8.023 -3.603 -3.920 1.00 0.00 O ATOM 281 CB LEU A 22 -9.954 -1.716 -4.748 1.00 0.00 C ATOM 282 CG LEU A 22 -11.151 -0.929 -5.285 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.694 0.128 -6.277 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.160 -1.868 -5.930 1.00 0.00 C ATOM 0 H LEU A 22 -10.654 -1.358 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.857 -3.574 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.243 -1.010 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.456 -2.200 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.636 -0.426 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.559 0.677 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.010 0.819 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.184 -0.353 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.005 -1.291 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.687 -2.399 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.512 -2.587 -5.190 1.00 0.00 H new ATOM 296 N ILE A 23 -8.939 -3.654 -1.865 1.00 0.00 N ATOM 297 CA ILE A 23 -7.760 -4.237 -1.235 1.00 0.00 C ATOM 298 C ILE A 23 -7.521 -5.660 -1.727 1.00 0.00 C ATOM 299 O ILE A 23 -6.380 -6.070 -1.940 1.00 0.00 O ATOM 300 CB ILE A 23 -7.891 -4.250 0.299 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.257 -2.857 0.814 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.596 -4.733 0.936 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.158 -1.834 0.624 1.00 0.00 C ATOM 0 H ILE A 23 -9.715 -3.478 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.911 -3.612 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.689 -4.939 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.155 -2.513 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.501 -2.923 1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.703 -4.737 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.375 -5.742 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.781 -4.066 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.487 -0.870 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.265 -2.155 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.929 -1.739 -0.437 1.00 0.00 H new ATOM 315 N GLN A 24 -8.605 -6.408 -1.906 1.00 0.00 N ATOM 316 CA GLN A 24 -8.512 -7.786 -2.374 1.00 0.00 C ATOM 317 C GLN A 24 -8.033 -7.839 -3.821 1.00 0.00 C ATOM 318 O GLN A 24 -7.438 -8.826 -4.253 1.00 0.00 O ATOM 319 CB GLN A 24 -9.869 -8.482 -2.248 1.00 0.00 C ATOM 320 CG GLN A 24 -10.494 -8.351 -0.869 1.00 0.00 C ATOM 321 CD GLN A 24 -11.863 -8.997 -0.785 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.093 -9.886 0.035 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.781 -8.552 -1.635 1.00 0.00 N ATOM 0 H GLN A 24 -9.557 -6.084 -1.734 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.785 -8.306 -1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.552 -8.065 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.749 -9.539 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.835 -8.808 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.578 -7.295 -0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.547 -7.813 -2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.721 -8.949 -1.625 1.00 0.00 H new ATOM 332 N VAL A 25 -8.296 -6.770 -4.565 1.00 0.00 N ATOM 333 CA VAL A 25 -7.891 -6.694 -5.964 1.00 0.00 C ATOM 334 C VAL A 25 -6.576 -5.937 -6.115 1.00 0.00 C ATOM 335 O VAL A 25 -5.962 -5.945 -7.181 1.00 0.00 O ATOM 336 CB VAL A 25 -8.968 -6.007 -6.824 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.238 -6.843 -6.859 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.255 -4.608 -6.300 1.00 0.00 C ATOM 0 H VAL A 25 -8.788 -5.944 -4.223 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.759 -7.719 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.592 -5.919 -7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.987 -6.341 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.018 -7.822 -7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.621 -6.966 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.018 -4.137 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.610 -4.670 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.343 -4.013 -6.333 1.00 0.00 H new ATOM 348 N ALA A 26 -6.150 -5.282 -5.039 1.00 0.00 N ATOM 349 CA ALA A 26 -4.906 -4.522 -5.051 1.00 0.00 C ATOM 350 C ALA A 26 -3.755 -5.344 -4.482 1.00 0.00 C ATOM 351 O ALA A 26 -3.857 -5.899 -3.389 1.00 0.00 O ATOM 352 CB ALA A 26 -5.072 -3.228 -4.267 1.00 0.00 C ATOM 0 H ALA A 26 -6.648 -5.263 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.667 -4.279 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.136 -2.670 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.861 -2.627 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.338 -3.459 -3.236 1.00 0.00 H new ATOM 358 N SER A 27 -2.660 -5.417 -5.232 1.00 0.00 N ATOM 359 CA SER A 27 -1.490 -6.176 -4.804 1.00 0.00 C ATOM 360 C SER A 27 -0.670 -5.384 -3.789 1.00 0.00 C ATOM 361 O SER A 27 -0.764 -4.158 -3.720 1.00 0.00 O ATOM 362 CB SER A 27 -0.620 -6.535 -6.010 1.00 0.00 C ATOM 363 OG SER A 27 -1.245 -7.521 -6.813 1.00 0.00 O ATOM 0 H SER A 27 -2.558 -4.960 -6.138 1.00 0.00 H new ATOM 0 HA SER A 27 -1.837 -7.094 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.432 -5.642 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.349 -6.900 -5.668 1.00 0.00 H new ATOM 0 HG SER A 27 -0.670 -7.732 -7.578 1.00 0.00 H new ATOM 369 N ARG A 28 0.133 -6.093 -3.004 1.00 0.00 N ATOM 370 CA ARG A 28 0.969 -5.458 -1.992 1.00 0.00 C ATOM 371 C ARG A 28 1.560 -4.153 -2.516 1.00 0.00 C ATOM 372 O ARG A 28 1.426 -3.104 -1.887 1.00 0.00 O ATOM 373 CB ARG A 28 2.093 -6.403 -1.562 1.00 0.00 C ATOM 374 CG ARG A 28 1.595 -7.716 -0.981 1.00 0.00 C ATOM 375 CD ARG A 28 1.381 -7.616 0.521 1.00 0.00 C ATOM 376 NE ARG A 28 1.154 -8.924 1.130 1.00 0.00 N ATOM 377 CZ ARG A 28 0.008 -9.590 1.034 1.00 0.00 C ATOM 378 NH1 ARG A 28 -1.008 -9.074 0.356 1.00 0.00 N ATOM 379 NH2 ARG A 28 -0.122 -10.775 1.616 1.00 0.00 N ATOM 0 H ARG A 28 0.223 -7.108 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 28 0.343 -5.233 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.728 -6.614 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.715 -5.901 -0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.660 -7.997 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.315 -8.506 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.252 -7.148 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.527 -6.969 0.723 1.00 0.00 H new ATOM 0 HE ARG A 28 1.916 -9.349 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.911 -8.164 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.886 -9.588 0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.658 -11.175 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.002 -11.286 1.542 1.00 0.00 H new ATOM 393 N GLU A 29 2.214 -4.227 -3.672 1.00 0.00 N ATOM 394 CA GLU A 29 2.826 -3.051 -4.279 1.00 0.00 C ATOM 395 C GLU A 29 1.779 -1.980 -4.567 1.00 0.00 C ATOM 396 O GLU A 29 2.013 -0.792 -4.344 1.00 0.00 O ATOM 397 CB GLU A 29 3.549 -3.435 -5.572 1.00 0.00 C ATOM 398 CG GLU A 29 4.894 -4.104 -5.342 1.00 0.00 C ATOM 399 CD GLU A 29 4.780 -5.609 -5.203 1.00 0.00 C ATOM 400 OE1 GLU A 29 3.686 -6.090 -4.842 1.00 0.00 O ATOM 401 OE2 GLU A 29 5.785 -6.306 -5.454 1.00 0.00 O ATOM 0 H GLU A 29 2.333 -5.088 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 29 3.551 -2.645 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.913 -4.106 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.697 -2.539 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.559 -3.869 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.351 -3.693 -4.442 1.00 0.00 H new ATOM 408 N GLN A 30 0.624 -2.409 -5.066 1.00 0.00 N ATOM 409 CA GLN A 30 -0.459 -1.487 -5.386 1.00 0.00 C ATOM 410 C GLN A 30 -0.876 -0.688 -4.156 1.00 0.00 C ATOM 411 O GLN A 30 -1.177 0.503 -4.249 1.00 0.00 O ATOM 412 CB GLN A 30 -1.661 -2.252 -5.943 1.00 0.00 C ATOM 413 CG GLN A 30 -1.430 -2.818 -7.335 1.00 0.00 C ATOM 414 CD GLN A 30 -1.409 -1.745 -8.405 1.00 0.00 C ATOM 415 OE1 GLN A 30 -2.498 -1.637 -9.157 1.00 0.00 O flip ATOM 416 NE2 GLN A 30 -0.424 -1.022 -8.556 1.00 0.00 N flip ATOM 0 H GLN A 30 0.414 -3.389 -5.257 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.097 -0.791 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.908 -3.068 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.524 -1.587 -5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.484 -3.360 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.214 -3.539 -7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.392 -1.140 -7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.424 -0.305 -9.282 1.00 0.00 H new ATOM 425 N LEU A 31 -0.892 -1.349 -3.004 1.00 0.00 N ATOM 426 CA LEU A 31 -1.272 -0.701 -1.754 1.00 0.00 C ATOM 427 C LEU A 31 -0.340 0.465 -1.440 1.00 0.00 C ATOM 428 O LEU A 31 -0.785 1.533 -1.017 1.00 0.00 O ATOM 429 CB LEU A 31 -1.249 -1.710 -0.605 1.00 0.00 C ATOM 430 CG LEU A 31 -2.499 -2.577 -0.448 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.685 -1.730 -0.015 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.808 -3.307 -1.747 1.00 0.00 C ATOM 0 H LEU A 31 -0.646 -2.334 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.284 -0.313 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.390 -2.367 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.089 -1.166 0.326 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.308 -3.320 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.565 -2.364 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.463 -1.254 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.878 -0.964 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.700 -3.919 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.979 -2.580 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.966 -3.945 -2.015 1.00 0.00 H new ATOM 444 N LEU A 32 0.954 0.255 -1.652 1.00 0.00 N ATOM 445 CA LEU A 32 1.950 1.290 -1.395 1.00 0.00 C ATOM 446 C LEU A 32 1.866 2.399 -2.438 1.00 0.00 C ATOM 447 O LEU A 32 1.789 3.580 -2.099 1.00 0.00 O ATOM 448 CB LEU A 32 3.354 0.684 -1.390 1.00 0.00 C ATOM 449 CG LEU A 32 4.396 1.410 -0.538 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.410 0.854 0.878 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.775 1.297 -1.171 1.00 0.00 C ATOM 0 H LEU A 32 1.339 -0.623 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 32 1.744 1.722 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.282 -0.346 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.716 0.647 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 32 4.126 2.465 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.158 1.383 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.428 0.988 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.655 -0.208 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.504 1.819 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.054 0.246 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.757 1.744 -2.165 1.00 0.00 H new ATOM 463 N TYR A 33 1.878 2.010 -3.709 1.00 0.00 N ATOM 464 CA TYR A 33 1.804 2.971 -4.803 1.00 0.00 C ATOM 465 C TYR A 33 0.842 4.106 -4.466 1.00 0.00 C ATOM 466 O TYR A 33 1.109 5.272 -4.762 1.00 0.00 O ATOM 467 CB TYR A 33 1.359 2.276 -6.091 1.00 0.00 C ATOM 468 CG TYR A 33 1.494 3.142 -7.323 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.679 3.172 -8.048 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.437 3.929 -7.762 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.807 3.962 -9.175 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.555 4.721 -8.888 1.00 0.00 C ATOM 473 CZ TYR A 33 1.742 4.734 -9.591 1.00 0.00 C ATOM 474 OH TYR A 33 1.865 5.522 -10.712 1.00 0.00 O ATOM 0 H TYR A 33 1.938 1.036 -4.006 1.00 0.00 H new ATOM 0 HA TYR A 33 2.798 3.393 -4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.949 1.370 -6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.319 1.967 -5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.514 2.568 -7.726 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.493 3.922 -7.214 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.735 3.975 -9.727 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.277 5.326 -9.216 1.00 0.00 H new ATOM 0 HH TYR A 33 1.105 5.362 -11.309 1.00 0.00 H new ATOM 484 N LEU A 34 -0.279 3.758 -3.844 1.00 0.00 N ATOM 485 CA LEU A 34 -1.283 4.746 -3.465 1.00 0.00 C ATOM 486 C LEU A 34 -0.868 5.484 -2.196 1.00 0.00 C ATOM 487 O LEU A 34 -1.150 6.672 -2.036 1.00 0.00 O ATOM 488 CB LEU A 34 -2.639 4.071 -3.255 1.00 0.00 C ATOM 489 CG LEU A 34 -3.110 3.148 -4.380 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.545 2.705 -4.142 1.00 0.00 C ATOM 491 CD2 LEU A 34 -2.981 3.842 -5.728 1.00 0.00 C ATOM 0 H LEU A 34 -0.516 2.799 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.367 5.471 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.596 3.493 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.390 4.847 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.475 2.262 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.862 2.049 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.608 2.168 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.195 3.579 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.321 3.171 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.591 4.745 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.938 4.108 -5.902 1.00 0.00 H new ATOM 503 N TYR A 35 -0.197 4.773 -1.297 1.00 0.00 N ATOM 504 CA TYR A 35 0.257 5.360 -0.042 1.00 0.00 C ATOM 505 C TYR A 35 1.231 6.507 -0.297 1.00 0.00 C ATOM 506 O TYR A 35 0.978 7.648 0.089 1.00 0.00 O ATOM 507 CB TYR A 35 0.923 4.296 0.832 1.00 0.00 C ATOM 508 CG TYR A 35 1.809 4.869 1.915 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.150 5.139 1.672 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.306 5.140 3.181 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.964 5.662 2.658 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.111 5.664 4.173 1.00 0.00 C ATOM 513 CZ TYR A 35 3.440 5.923 3.907 1.00 0.00 C ATOM 514 OH TYR A 35 4.246 6.445 4.893 1.00 0.00 O ATOM 0 H TYR A 35 0.045 3.789 -1.414 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.614 5.756 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.150 3.682 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.517 3.638 0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.563 4.936 0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.267 4.937 3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.005 5.865 2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.703 5.870 5.151 1.00 0.00 H new ATOM 0 HH TYR A 35 3.722 6.571 5.712 1.00 0.00 H new ATOM 524 N ALA A 36 2.344 6.194 -0.951 1.00 0.00 N ATOM 525 CA ALA A 36 3.355 7.197 -1.261 1.00 0.00 C ATOM 526 C ALA A 36 2.714 8.487 -1.760 1.00 0.00 C ATOM 527 O ALA A 36 2.825 9.534 -1.123 1.00 0.00 O ATOM 528 CB ALA A 36 4.334 6.658 -2.294 1.00 0.00 C ATOM 0 H ALA A 36 2.569 5.254 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 36 3.899 7.424 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.084 7.418 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.825 5.768 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.796 6.402 -3.207 1.00 0.00 H new ATOM 534 N ARG A 37 2.042 8.405 -2.905 1.00 0.00 N ATOM 535 CA ARG A 37 1.384 9.567 -3.490 1.00 0.00 C ATOM 536 C ARG A 37 0.406 10.193 -2.501 1.00 0.00 C ATOM 537 O ARG A 37 0.349 11.415 -2.357 1.00 0.00 O ATOM 538 CB ARG A 37 0.648 9.171 -4.771 1.00 0.00 C ATOM 539 CG ARG A 37 1.552 8.558 -5.828 1.00 0.00 C ATOM 540 CD ARG A 37 0.864 8.500 -7.183 1.00 0.00 C ATOM 541 NE ARG A 37 1.818 8.601 -8.285 1.00 0.00 N ATOM 542 CZ ARG A 37 2.732 7.676 -8.553 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.817 6.586 -7.802 1.00 0.00 N ATOM 544 NH2 ARG A 37 3.565 7.839 -9.573 1.00 0.00 N ATOM 0 H ARG A 37 1.939 7.546 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 37 2.150 10.304 -3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.140 8.460 -4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.162 10.053 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.468 9.143 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.842 7.553 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.309 7.566 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.138 9.310 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 37 1.780 9.428 -8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.179 6.457 -7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.520 5.877 -8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.504 8.676 -10.153 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.267 7.127 -9.777 1.00 0.00 H new ATOM 558 N TYR A 38 -0.363 9.349 -1.822 1.00 0.00 N ATOM 559 CA TYR A 38 -1.341 9.819 -0.849 1.00 0.00 C ATOM 560 C TYR A 38 -0.666 10.629 0.255 1.00 0.00 C ATOM 561 O TYR A 38 -1.284 11.496 0.872 1.00 0.00 O ATOM 562 CB TYR A 38 -2.095 8.636 -0.240 1.00 0.00 C ATOM 563 CG TYR A 38 -2.989 9.019 0.918 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.451 9.378 2.148 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.372 9.022 0.783 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.264 9.728 3.209 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.192 9.372 1.837 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.634 9.724 3.048 1.00 0.00 C ATOM 569 OH TYR A 38 -5.447 10.072 4.102 1.00 0.00 O ATOM 0 H TYR A 38 -0.328 8.335 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.050 10.465 -1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.700 8.164 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.374 7.892 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.379 9.384 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.813 8.746 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.829 10.003 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.265 9.370 1.714 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.385 10.019 3.823 1.00 0.00 H new ATOM 579 N LYS A 39 0.608 10.339 0.497 1.00 0.00 N ATOM 580 CA LYS A 39 1.370 11.040 1.523 1.00 0.00 C ATOM 581 C LYS A 39 1.969 12.329 0.972 1.00 0.00 C ATOM 582 O LYS A 39 2.201 13.283 1.714 1.00 0.00 O ATOM 583 CB LYS A 39 2.483 10.139 2.065 1.00 0.00 C ATOM 584 CG LYS A 39 1.988 9.069 3.022 1.00 0.00 C ATOM 585 CD LYS A 39 1.614 9.657 4.372 1.00 0.00 C ATOM 586 CE LYS A 39 2.842 10.149 5.124 1.00 0.00 C ATOM 587 NZ LYS A 39 2.526 10.489 6.539 1.00 0.00 N ATOM 0 H LYS A 39 1.134 9.623 -0.004 1.00 0.00 H new ATOM 0 HA LYS A 39 0.689 11.295 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.990 9.659 1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.223 10.756 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.122 8.566 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.762 8.313 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.917 10.483 4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.098 8.904 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.615 9.381 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.248 11.027 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.388 10.820 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.807 11.240 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.162 9.645 7.026 1.00 0.00 H new ATOM 601 N GLN A 40 2.215 12.351 -0.334 1.00 0.00 N ATOM 602 CA GLN A 40 2.786 13.525 -0.984 1.00 0.00 C ATOM 603 C GLN A 40 1.723 14.596 -1.204 1.00 0.00 C ATOM 604 O GLN A 40 2.036 15.780 -1.326 1.00 0.00 O ATOM 605 CB GLN A 40 3.419 13.136 -2.321 1.00 0.00 C ATOM 606 CG GLN A 40 3.482 14.280 -3.320 1.00 0.00 C ATOM 607 CD GLN A 40 4.421 15.387 -2.881 1.00 0.00 C ATOM 608 OE1 GLN A 40 4.010 16.535 -2.712 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.691 15.047 -2.694 1.00 0.00 N ATOM 0 H GLN A 40 2.028 11.570 -0.963 1.00 0.00 H new ATOM 0 HA GLN A 40 3.557 13.933 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.428 12.765 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.851 12.315 -2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.807 13.896 -4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.482 14.691 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.989 14.083 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.369 15.750 -2.399 1.00 0.00 H new ATOM 618 N VAL A 41 0.464 14.172 -1.254 1.00 0.00 N ATOM 619 CA VAL A 41 -0.646 15.095 -1.459 1.00 0.00 C ATOM 620 C VAL A 41 -1.155 15.645 -0.131 1.00 0.00 C ATOM 621 O VAL A 41 -1.638 16.776 -0.058 1.00 0.00 O ATOM 622 CB VAL A 41 -1.812 14.416 -2.201 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.294 13.604 -3.379 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.611 13.539 -1.249 1.00 0.00 C ATOM 0 H VAL A 41 0.187 13.195 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.267 15.915 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.475 15.191 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.132 13.131 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.769 14.262 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.609 12.836 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.431 13.067 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.962 12.770 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.014 14.151 -0.442 1.00 0.00 H new ATOM 634 N LYS A 42 -1.044 14.838 0.919 1.00 0.00 N ATOM 635 CA LYS A 42 -1.492 15.243 2.246 1.00 0.00 C ATOM 636 C LYS A 42 -0.394 16.005 2.981 1.00 0.00 C ATOM 637 O LYS A 42 -0.627 17.091 3.513 1.00 0.00 O ATOM 638 CB LYS A 42 -1.910 14.017 3.062 1.00 0.00 C ATOM 639 CG LYS A 42 -3.078 13.256 2.459 1.00 0.00 C ATOM 640 CD LYS A 42 -4.377 14.033 2.590 1.00 0.00 C ATOM 641 CE LYS A 42 -5.455 13.476 1.672 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.259 12.416 2.341 1.00 0.00 N ATOM 0 H LYS A 42 -0.647 13.899 0.876 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.351 15.903 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.057 13.344 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.176 14.335 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.878 13.055 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.179 12.290 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.722 13.995 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.201 15.082 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.113 14.284 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.992 13.068 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.165 12.301 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.736 11.518 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.439 12.688 3.329 1.00 0.00 H new ATOM 656 N VAL A 43 0.805 15.431 3.006 1.00 0.00 N ATOM 657 CA VAL A 43 1.940 16.057 3.673 1.00 0.00 C ATOM 658 C VAL A 43 2.799 16.835 2.683 1.00 0.00 C ATOM 659 O VAL A 43 2.900 18.059 2.761 1.00 0.00 O ATOM 660 CB VAL A 43 2.818 15.013 4.388 1.00 0.00 C ATOM 661 CG1 VAL A 43 3.829 15.696 5.296 1.00 0.00 C ATOM 662 CG2 VAL A 43 1.953 14.040 5.175 1.00 0.00 C ATOM 0 H VAL A 43 1.015 14.532 2.571 1.00 0.00 H new ATOM 0 HA VAL A 43 1.531 16.744 4.413 1.00 0.00 H new ATOM 0 HB VAL A 43 3.367 14.448 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.440 14.942 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.469 16.348 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.303 16.288 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.589 13.309 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.376 14.587 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.273 13.526 4.495 1.00 0.00 H new ATOM 672 N GLY A 44 3.416 16.116 1.750 1.00 0.00 N ATOM 673 CA GLY A 44 4.258 16.756 0.757 1.00 0.00 C ATOM 674 C GLY A 44 5.674 16.215 0.762 1.00 0.00 C ATOM 675 O GLY A 44 5.889 15.016 0.587 1.00 0.00 O ATOM 0 H GLY A 44 3.348 15.102 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.821 16.613 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.282 17.830 0.943 1.00 0.00 H new ATOM 679 N ASN A 45 6.644 17.101 0.964 1.00 0.00 N ATOM 680 CA ASN A 45 8.047 16.707 0.989 1.00 0.00 C ATOM 681 C ASN A 45 8.314 15.719 2.122 1.00 0.00 C ATOM 682 O ASN A 45 7.963 15.972 3.275 1.00 0.00 O ATOM 683 CB ASN A 45 8.942 17.937 1.150 1.00 0.00 C ATOM 684 CG ASN A 45 8.941 18.818 -0.085 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.935 19.450 -0.409 1.00 0.00 O ATOM 686 ND2 ASN A 45 10.071 18.863 -0.781 1.00 0.00 N ATOM 0 H ASN A 45 6.483 18.097 1.113 1.00 0.00 H new ATOM 0 HA ASN A 45 8.278 16.219 0.042 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.605 18.518 2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.962 17.616 1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.130 19.438 -1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.880 18.323 -0.475 1.00 0.00 H new ATOM 693 N CYS A 46 8.937 14.596 1.785 1.00 0.00 N ATOM 694 CA CYS A 46 9.252 13.570 2.772 1.00 0.00 C ATOM 695 C CYS A 46 9.646 14.200 4.104 1.00 0.00 C ATOM 696 O CYS A 46 9.123 13.832 5.155 1.00 0.00 O ATOM 697 CB CYS A 46 10.381 12.672 2.265 1.00 0.00 C ATOM 698 SG CYS A 46 10.344 10.991 2.931 1.00 0.00 S ATOM 0 H CYS A 46 9.234 14.373 0.835 1.00 0.00 H new ATOM 0 HA CYS A 46 8.359 12.964 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.330 12.621 1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.337 13.131 2.518 1.00 0.00 H new ATOM 0 HG CYS A 46 10.472 11.034 4.224 1.00 0.00 H new ATOM 704 N ASN A 47 10.574 15.150 4.051 1.00 0.00 N ATOM 705 CA ASN A 47 11.041 15.830 5.254 1.00 0.00 C ATOM 706 C ASN A 47 11.076 14.872 6.441 1.00 0.00 C ATOM 707 O ASN A 47 10.803 15.263 7.577 1.00 0.00 O ATOM 708 CB ASN A 47 10.139 17.024 5.573 1.00 0.00 C ATOM 709 CG ASN A 47 8.729 16.602 5.936 1.00 0.00 C ATOM 710 OD1 ASN A 47 8.528 15.638 6.676 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.743 17.323 5.416 1.00 0.00 N ATOM 0 H ASN A 47 11.017 15.466 3.189 1.00 0.00 H new ATOM 0 HA ASN A 47 12.054 16.188 5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.570 17.591 6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.105 17.691 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.773 17.086 5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.955 18.114 4.808 1.00 0.00 H new ATOM 718 N THR A 48 11.413 13.615 6.172 1.00 0.00 N ATOM 719 CA THR A 48 11.482 12.601 7.217 1.00 0.00 C ATOM 720 C THR A 48 12.745 11.758 7.081 1.00 0.00 C ATOM 721 O THR A 48 13.242 11.514 5.982 1.00 0.00 O ATOM 722 CB THR A 48 10.253 11.674 7.182 1.00 0.00 C ATOM 723 OG1 THR A 48 9.952 11.309 5.831 1.00 0.00 O ATOM 724 CG2 THR A 48 9.045 12.353 7.810 1.00 0.00 C ATOM 0 H THR A 48 11.643 13.274 5.238 1.00 0.00 H new ATOM 0 HA THR A 48 11.502 13.129 8.170 1.00 0.00 H new ATOM 0 HB THR A 48 10.486 10.777 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.525 12.064 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.189 11.679 7.774 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.267 12.603 8.848 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.813 13.264 7.259 1.00 0.00 H new ATOM 732 N PRO A 49 13.277 11.300 8.224 1.00 0.00 N ATOM 733 CA PRO A 49 14.488 10.475 8.259 1.00 0.00 C ATOM 734 C PRO A 49 14.255 9.079 7.693 1.00 0.00 C ATOM 735 O PRO A 49 13.194 8.486 7.892 1.00 0.00 O ATOM 736 CB PRO A 49 14.823 10.400 9.750 1.00 0.00 C ATOM 737 CG PRO A 49 13.521 10.611 10.442 1.00 0.00 C ATOM 738 CD PRO A 49 12.737 11.552 9.571 1.00 0.00 C ATOM 0 HA PRO A 49 15.287 10.898 7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.258 9.435 10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.549 11.163 10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.991 9.667 10.573 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.671 11.033 11.436 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.667 11.348 9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.877 12.590 9.873 1.00 0.00 H new ATOM 746 N LYS A 50 15.253 8.557 6.988 1.00 0.00 N ATOM 747 CA LYS A 50 15.158 7.228 6.395 1.00 0.00 C ATOM 748 C LYS A 50 14.987 6.162 7.472 1.00 0.00 C ATOM 749 O LYS A 50 15.617 6.206 8.529 1.00 0.00 O ATOM 750 CB LYS A 50 16.405 6.929 5.560 1.00 0.00 C ATOM 751 CG LYS A 50 16.253 5.723 4.650 1.00 0.00 C ATOM 752 CD LYS A 50 17.518 5.467 3.848 1.00 0.00 C ATOM 753 CE LYS A 50 17.248 4.566 2.653 1.00 0.00 C ATOM 754 NZ LYS A 50 18.270 4.740 1.584 1.00 0.00 N ATOM 0 H LYS A 50 16.137 9.034 6.813 1.00 0.00 H new ATOM 0 HA LYS A 50 14.281 7.209 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.644 7.803 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.249 6.764 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.015 4.843 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.416 5.882 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.930 6.416 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.270 5.007 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.236 3.526 2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.259 4.785 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.050 4.109 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.264 5.727 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.210 4.506 1.962 1.00 0.00 H new ATOM 768 N PRO A 51 14.115 5.179 7.201 1.00 0.00 N ATOM 769 CA PRO A 51 13.843 4.082 8.134 1.00 0.00 C ATOM 770 C PRO A 51 15.026 3.129 8.269 1.00 0.00 C ATOM 771 O PRO A 51 15.972 3.183 7.483 1.00 0.00 O ATOM 772 CB PRO A 51 12.649 3.365 7.500 1.00 0.00 C ATOM 773 CG PRO A 51 12.745 3.680 6.047 1.00 0.00 C ATOM 774 CD PRO A 51 13.329 5.063 5.961 1.00 0.00 C ATOM 0 HA PRO A 51 13.653 4.444 9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.694 2.290 7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.707 3.718 7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.377 2.957 5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.764 3.640 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.955 5.181 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.551 5.825 5.905 1.00 0.00 H new ATOM 782 N SER A 52 14.966 2.257 9.270 1.00 0.00 N ATOM 783 CA SER A 52 16.034 1.294 9.510 1.00 0.00 C ATOM 784 C SER A 52 16.125 0.287 8.367 1.00 0.00 C ATOM 785 O SER A 52 15.134 0.006 7.692 1.00 0.00 O ATOM 786 CB SER A 52 15.802 0.561 10.833 1.00 0.00 C ATOM 787 OG SER A 52 17.021 0.078 11.369 1.00 0.00 O ATOM 0 H SER A 52 14.189 2.198 9.928 1.00 0.00 H new ATOM 0 HA SER A 52 16.976 1.840 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.329 1.235 11.547 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.115 -0.271 10.676 1.00 0.00 H new ATOM 0 HG SER A 52 16.846 -0.385 12.215 1.00 0.00 H new ATOM 793 N PHE A 53 17.321 -0.252 8.155 1.00 0.00 N ATOM 794 CA PHE A 53 17.543 -1.226 7.094 1.00 0.00 C ATOM 795 C PHE A 53 16.707 -2.482 7.324 1.00 0.00 C ATOM 796 O PHE A 53 16.016 -2.955 6.422 1.00 0.00 O ATOM 797 CB PHE A 53 19.026 -1.595 7.013 1.00 0.00 C ATOM 798 CG PHE A 53 19.319 -2.688 6.026 1.00 0.00 C ATOM 799 CD1 PHE A 53 19.426 -2.408 4.673 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.489 -3.996 6.450 1.00 0.00 C ATOM 801 CE1 PHE A 53 19.694 -3.412 3.762 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.759 -5.005 5.544 1.00 0.00 C ATOM 803 CZ PHE A 53 19.862 -4.712 4.198 1.00 0.00 C ATOM 0 H PHE A 53 18.151 -0.030 8.704 1.00 0.00 H new ATOM 0 HA PHE A 53 17.236 -0.774 6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.598 -0.708 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.369 -1.906 8.000 1.00 0.00 H new ATOM 0 HD1 PHE A 53 19.298 -1.393 4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.410 -4.230 7.501 1.00 0.00 H new ATOM 0 HE1 PHE A 53 19.772 -3.180 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.889 -6.020 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 53 20.073 -5.498 3.488 1.00 0.00 H new ATOM 813 N PHE A 54 16.776 -3.016 8.539 1.00 0.00 N ATOM 814 CA PHE A 54 16.027 -4.218 8.889 1.00 0.00 C ATOM 815 C PHE A 54 14.530 -4.005 8.682 1.00 0.00 C ATOM 816 O PHE A 54 13.831 -4.886 8.181 1.00 0.00 O ATOM 817 CB PHE A 54 16.302 -4.610 10.342 1.00 0.00 C ATOM 818 CG PHE A 54 17.467 -5.545 10.500 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.731 -5.175 10.071 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.298 -6.793 11.078 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.806 -6.032 10.216 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.368 -7.654 11.226 1.00 0.00 C ATOM 823 CZ PHE A 54 19.624 -7.274 10.793 1.00 0.00 C ATOM 0 H PHE A 54 17.342 -2.636 9.297 1.00 0.00 H new ATOM 0 HA PHE A 54 16.355 -5.025 8.234 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.489 -3.708 10.924 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.411 -5.079 10.758 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.878 -4.206 9.618 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.318 -7.096 11.417 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.787 -5.731 9.879 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.223 -8.623 11.680 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.462 -7.946 10.905 1.00 0.00 H new ATOM 833 N ASP A 55 14.046 -2.831 9.071 1.00 0.00 N ATOM 834 CA ASP A 55 12.633 -2.501 8.928 1.00 0.00 C ATOM 835 C ASP A 55 12.258 -2.342 7.458 1.00 0.00 C ATOM 836 O ASP A 55 12.139 -1.225 6.954 1.00 0.00 O ATOM 837 CB ASP A 55 12.307 -1.216 9.692 1.00 0.00 C ATOM 838 CG ASP A 55 11.958 -1.479 11.144 1.00 0.00 C ATOM 839 OD1 ASP A 55 11.453 -2.581 11.442 1.00 0.00 O ATOM 840 OD2 ASP A 55 12.190 -0.582 11.982 1.00 0.00 O ATOM 0 H ASP A 55 14.612 -2.092 9.488 1.00 0.00 H new ATOM 0 HA ASP A 55 12.050 -3.321 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.161 -0.541 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.473 -0.710 9.207 1.00 0.00 H new ATOM 845 N PHE A 56 12.074 -3.466 6.774 1.00 0.00 N ATOM 846 CA PHE A 56 11.714 -3.452 5.361 1.00 0.00 C ATOM 847 C PHE A 56 10.331 -2.841 5.158 1.00 0.00 C ATOM 848 O PHE A 56 10.184 -1.823 4.483 1.00 0.00 O ATOM 849 CB PHE A 56 11.747 -4.871 4.790 1.00 0.00 C ATOM 850 CG PHE A 56 12.665 -5.797 5.536 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.214 -6.496 6.644 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.979 -5.966 5.130 1.00 0.00 C ATOM 853 CE1 PHE A 56 13.057 -7.349 7.333 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.825 -6.818 5.815 1.00 0.00 C ATOM 855 CZ PHE A 56 14.364 -7.509 6.918 1.00 0.00 C ATOM 0 H PHE A 56 12.168 -4.399 7.176 1.00 0.00 H new ATOM 0 HA PHE A 56 12.443 -2.839 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.738 -5.283 4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.058 -4.827 3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.193 -6.373 6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.346 -5.426 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.693 -7.889 8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.846 -6.943 5.487 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.025 -8.173 7.455 1.00 0.00 H new ATOM 865 N GLU A 57 9.320 -3.472 5.747 1.00 0.00 N ATOM 866 CA GLU A 57 7.948 -2.992 5.629 1.00 0.00 C ATOM 867 C GLU A 57 7.907 -1.467 5.595 1.00 0.00 C ATOM 868 O GLU A 57 7.348 -0.870 4.676 1.00 0.00 O ATOM 869 CB GLU A 57 7.101 -3.510 6.793 1.00 0.00 C ATOM 870 CG GLU A 57 7.304 -4.988 7.083 1.00 0.00 C ATOM 871 CD GLU A 57 6.314 -5.525 8.098 1.00 0.00 C ATOM 872 OE1 GLU A 57 6.551 -5.347 9.311 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.301 -6.123 7.679 1.00 0.00 O ATOM 0 H GLU A 57 9.425 -4.316 6.310 1.00 0.00 H new ATOM 0 HA GLU A 57 7.537 -3.371 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.340 -2.936 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.048 -3.333 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.210 -5.553 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.318 -5.146 7.451 1.00 0.00 H new ATOM 880 N GLY A 58 8.503 -0.842 6.606 1.00 0.00 N ATOM 881 CA GLY A 58 8.522 0.608 6.674 1.00 0.00 C ATOM 882 C GLY A 58 9.456 1.223 5.651 1.00 0.00 C ATOM 883 O GLY A 58 9.237 2.346 5.195 1.00 0.00 O ATOM 0 H GLY A 58 8.973 -1.314 7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.513 0.989 6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.827 0.918 7.673 1.00 0.00 H new ATOM 887 N LYS A 59 10.502 0.489 5.289 1.00 0.00 N ATOM 888 CA LYS A 59 11.474 0.968 4.314 1.00 0.00 C ATOM 889 C LYS A 59 10.792 1.328 2.998 1.00 0.00 C ATOM 890 O LYS A 59 10.839 2.477 2.559 1.00 0.00 O ATOM 891 CB LYS A 59 12.549 -0.094 4.069 1.00 0.00 C ATOM 892 CG LYS A 59 13.761 0.429 3.318 1.00 0.00 C ATOM 893 CD LYS A 59 14.919 -0.553 3.375 1.00 0.00 C ATOM 894 CE LYS A 59 14.638 -1.795 2.542 1.00 0.00 C ATOM 895 NZ LYS A 59 14.704 -1.509 1.082 1.00 0.00 N ATOM 0 H LYS A 59 10.699 -0.442 5.657 1.00 0.00 H new ATOM 0 HA LYS A 59 11.944 1.865 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.873 -0.499 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.111 -0.919 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.493 0.617 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.071 1.383 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.826 -0.069 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.102 -0.842 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.360 -2.572 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.651 -2.184 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.625 -2.399 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.922 -0.876 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.611 -1.051 0.859 1.00 0.00 H new ATOM 909 N GLN A 60 10.158 0.340 2.375 1.00 0.00 N ATOM 910 CA GLN A 60 9.465 0.555 1.110 1.00 0.00 C ATOM 911 C GLN A 60 8.606 1.813 1.167 1.00 0.00 C ATOM 912 O GLN A 60 8.666 2.660 0.275 1.00 0.00 O ATOM 913 CB GLN A 60 8.596 -0.656 0.769 1.00 0.00 C ATOM 914 CG GLN A 60 7.745 -1.142 1.931 1.00 0.00 C ATOM 915 CD GLN A 60 7.015 -2.434 1.621 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.106 -3.407 2.370 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.285 -2.450 0.512 1.00 0.00 N ATOM 0 H GLN A 60 10.110 -0.617 2.725 1.00 0.00 H new ATOM 0 HA GLN A 60 10.216 0.686 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.944 -0.401 -0.066 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.238 -1.471 0.434 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.380 -1.289 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.018 -0.372 2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.238 -1.620 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.771 -3.292 0.252 1.00 0.00 H new ATOM 926 N LYS A 61 7.805 1.930 2.221 1.00 0.00 N ATOM 927 CA LYS A 61 6.932 3.085 2.395 1.00 0.00 C ATOM 928 C LYS A 61 7.710 4.385 2.221 1.00 0.00 C ATOM 929 O LYS A 61 7.447 5.158 1.300 1.00 0.00 O ATOM 930 CB LYS A 61 6.278 3.051 3.778 1.00 0.00 C ATOM 931 CG LYS A 61 5.533 1.759 4.067 1.00 0.00 C ATOM 932 CD LYS A 61 4.468 1.956 5.133 1.00 0.00 C ATOM 933 CE LYS A 61 3.133 2.352 4.521 1.00 0.00 C ATOM 934 NZ LYS A 61 2.049 2.403 5.540 1.00 0.00 N ATOM 0 H LYS A 61 7.742 1.238 2.968 1.00 0.00 H new ATOM 0 HA LYS A 61 6.156 3.041 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.046 3.195 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.584 3.887 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.069 1.393 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.239 0.996 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.349 1.035 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.791 2.726 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.228 3.327 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.865 1.639 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.325 1.692 5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.447 2.203 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.617 3.349 5.541 1.00 0.00 H new ATOM 948 N TRP A 62 8.668 4.619 3.110 1.00 0.00 N ATOM 949 CA TRP A 62 9.486 5.826 3.053 1.00 0.00 C ATOM 950 C TRP A 62 10.063 6.027 1.656 1.00 0.00 C ATOM 951 O TRP A 62 10.089 7.144 1.141 1.00 0.00 O ATOM 952 CB TRP A 62 10.617 5.750 4.080 1.00 0.00 C ATOM 953 CG TRP A 62 11.446 6.997 4.143 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.197 8.110 4.894 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.658 7.257 3.426 1.00 0.00 C ATOM 956 NE1 TRP A 62 12.181 9.047 4.686 1.00 0.00 N ATOM 957 CE2 TRP A 62 13.089 8.547 3.791 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.421 6.525 2.512 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.248 9.119 3.272 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.571 7.094 1.998 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.976 8.380 2.379 1.00 0.00 C ATOM 0 H TRP A 62 8.898 3.990 3.879 1.00 0.00 H new ATOM 0 HA TRP A 62 8.849 6.678 3.288 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.192 5.555 5.064 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.262 4.905 3.838 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.352 8.236 5.554 1.00 0.00 H new ATOM 0 HE1 TRP A 62 12.227 9.966 5.127 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.117 5.533 2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.561 10.111 3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.168 6.538 1.290 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.880 8.796 1.960 1.00 0.00 H new ATOM 972 N GLU A 63 10.525 4.938 1.049 1.00 0.00 N ATOM 973 CA GLU A 63 11.103 4.998 -0.288 1.00 0.00 C ATOM 974 C GLU A 63 10.098 5.558 -1.291 1.00 0.00 C ATOM 975 O GLU A 63 10.296 6.638 -1.846 1.00 0.00 O ATOM 976 CB GLU A 63 11.561 3.607 -0.732 1.00 0.00 C ATOM 977 CG GLU A 63 12.868 3.165 -0.096 1.00 0.00 C ATOM 978 CD GLU A 63 13.629 2.173 -0.955 1.00 0.00 C ATOM 979 OE1 GLU A 63 14.089 2.565 -2.048 1.00 0.00 O ATOM 980 OE2 GLU A 63 13.764 1.006 -0.534 1.00 0.00 O ATOM 0 H GLU A 63 10.510 4.005 1.461 1.00 0.00 H new ATOM 0 HA GLU A 63 11.965 5.664 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.784 2.883 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.673 3.600 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.494 4.039 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.661 2.715 0.875 1.00 0.00 H new ATOM 987 N ALA A 64 9.019 4.815 -1.517 1.00 0.00 N ATOM 988 CA ALA A 64 7.983 5.237 -2.450 1.00 0.00 C ATOM 989 C ALA A 64 7.587 6.690 -2.211 1.00 0.00 C ATOM 990 O ALA A 64 7.471 7.475 -3.153 1.00 0.00 O ATOM 991 CB ALA A 64 6.766 4.331 -2.333 1.00 0.00 C ATOM 0 H ALA A 64 8.840 3.918 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 64 8.385 5.159 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.000 4.658 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.053 3.305 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.372 4.380 -1.318 1.00 0.00 H new ATOM 997 N TRP A 65 7.382 7.042 -0.947 1.00 0.00 N ATOM 998 CA TRP A 65 6.999 8.402 -0.585 1.00 0.00 C ATOM 999 C TRP A 65 8.193 9.346 -0.673 1.00 0.00 C ATOM 1000 O TRP A 65 8.031 10.557 -0.828 1.00 0.00 O ATOM 1001 CB TRP A 65 6.414 8.430 0.828 1.00 0.00 C ATOM 1002 CG TRP A 65 6.074 9.811 1.303 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.801 10.901 0.526 1.00 0.00 C ATOM 1004 CD2 TRP A 65 5.974 10.249 2.662 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.538 11.990 1.321 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.636 11.616 2.635 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.135 9.619 3.899 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.459 12.361 3.798 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 5.959 10.360 5.052 1.00 0.00 C ATOM 1010 CH2 TRP A 65 5.622 11.719 4.995 1.00 0.00 C ATOM 0 H TRP A 65 7.474 6.405 -0.156 1.00 0.00 H new ATOM 0 HA TRP A 65 6.241 8.739 -1.292 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.516 7.813 0.854 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.129 7.982 1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.793 10.906 -0.554 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.307 12.926 0.987 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.392 8.572 3.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.202 13.409 3.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.083 9.884 6.013 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.488 12.270 5.914 1.00 0.00 H new ATOM 1021 N LYS A 66 9.393 8.785 -0.574 1.00 0.00 N ATOM 1022 CA LYS A 66 10.616 9.576 -0.644 1.00 0.00 C ATOM 1023 C LYS A 66 10.900 10.014 -2.077 1.00 0.00 C ATOM 1024 O LYS A 66 11.296 11.154 -2.320 1.00 0.00 O ATOM 1025 CB LYS A 66 11.800 8.772 -0.102 1.00 0.00 C ATOM 1026 CG LYS A 66 13.150 9.404 -0.394 1.00 0.00 C ATOM 1027 CD LYS A 66 13.332 10.706 0.366 1.00 0.00 C ATOM 1028 CE LYS A 66 14.301 11.637 -0.347 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.283 13.008 0.236 1.00 0.00 N ATOM 0 H LYS A 66 9.545 7.785 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 66 10.478 10.467 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.687 8.658 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.776 7.771 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.944 8.709 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.242 9.590 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.367 11.200 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.701 10.494 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.310 11.229 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.043 11.689 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.956 13.612 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.326 13.408 0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.554 12.962 1.239 1.00 0.00 H new ATOM 1043 N ALA A 67 10.692 9.103 -3.022 1.00 0.00 N ATOM 1044 CA ALA A 67 10.922 9.398 -4.431 1.00 0.00 C ATOM 1045 C ALA A 67 10.176 10.658 -4.857 1.00 0.00 C ATOM 1046 O ALA A 67 10.581 11.343 -5.797 1.00 0.00 O ATOM 1047 CB ALA A 67 10.501 8.216 -5.292 1.00 0.00 C ATOM 0 H ALA A 67 10.365 8.155 -2.837 1.00 0.00 H new ATOM 0 HA ALA A 67 11.988 9.575 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.678 8.449 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.082 7.337 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.441 8.014 -5.139 1.00 0.00 H new ATOM 1053 N LEU A 68 9.084 10.957 -4.162 1.00 0.00 N ATOM 1054 CA LEU A 68 8.281 12.135 -4.469 1.00 0.00 C ATOM 1055 C LEU A 68 8.858 13.378 -3.800 1.00 0.00 C ATOM 1056 O LEU A 68 8.165 14.078 -3.063 1.00 0.00 O ATOM 1057 CB LEU A 68 6.835 11.923 -4.015 1.00 0.00 C ATOM 1058 CG LEU A 68 6.190 10.599 -4.427 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.879 10.391 -3.685 1.00 0.00 C ATOM 1060 CD2 LEU A 68 5.966 10.560 -5.932 1.00 0.00 C ATOM 0 H LEU A 68 8.735 10.400 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 68 8.299 12.285 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.802 11.998 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.228 12.738 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 68 6.867 9.788 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.434 9.444 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.067 10.374 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.195 11.206 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.506 9.611 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.309 11.379 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.922 10.662 -6.445 1.00 0.00 H new ATOM 1072 N GLY A 69 10.134 13.647 -4.063 1.00 0.00 N ATOM 1073 CA GLY A 69 10.783 14.807 -3.481 1.00 0.00 C ATOM 1074 C GLY A 69 9.857 16.003 -3.386 1.00 0.00 C ATOM 1075 O GLY A 69 9.322 16.300 -2.318 1.00 0.00 O ATOM 0 H GLY A 69 10.729 13.082 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.148 14.554 -2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.653 15.072 -4.082 1.00 0.00 H new ATOM 1079 N ASP A 70 9.668 16.693 -4.506 1.00 0.00 N ATOM 1080 CA ASP A 70 8.801 17.864 -4.546 1.00 0.00 C ATOM 1081 C ASP A 70 7.719 17.704 -5.609 1.00 0.00 C ATOM 1082 O ASP A 70 7.522 18.584 -6.447 1.00 0.00 O ATOM 1083 CB ASP A 70 9.622 19.125 -4.823 1.00 0.00 C ATOM 1084 CG ASP A 70 10.311 19.081 -6.172 1.00 0.00 C ATOM 1085 OD1 ASP A 70 10.974 18.065 -6.467 1.00 0.00 O ATOM 1086 OD2 ASP A 70 10.189 20.064 -6.933 1.00 0.00 O ATOM 0 H ASP A 70 10.104 16.461 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 70 8.318 17.960 -3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.969 19.997 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.370 19.248 -4.040 1.00 0.00 H new ATOM 1091 N SER A 71 7.020 16.574 -5.569 1.00 0.00 N ATOM 1092 CA SER A 71 5.961 16.295 -6.532 1.00 0.00 C ATOM 1093 C SER A 71 4.675 17.021 -6.150 1.00 0.00 C ATOM 1094 O SER A 71 4.401 17.243 -4.970 1.00 0.00 O ATOM 1095 CB SER A 71 5.704 14.790 -6.618 1.00 0.00 C ATOM 1096 OG SER A 71 6.628 14.164 -7.492 1.00 0.00 O ATOM 0 H SER A 71 7.168 15.837 -4.880 1.00 0.00 H new ATOM 0 HA SER A 71 6.286 16.657 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.781 14.347 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.688 14.611 -6.969 1.00 0.00 H new ATOM 0 HG SER A 71 6.444 13.202 -7.528 1.00 0.00 H new ATOM 1102 N SER A 72 3.889 17.389 -7.157 1.00 0.00 N ATOM 1103 CA SER A 72 2.633 18.094 -6.928 1.00 0.00 C ATOM 1104 C SER A 72 1.571 17.147 -6.378 1.00 0.00 C ATOM 1105 O SER A 72 1.637 15.930 -6.553 1.00 0.00 O ATOM 1106 CB SER A 72 2.138 18.734 -8.227 1.00 0.00 C ATOM 1107 OG SER A 72 2.714 20.015 -8.416 1.00 0.00 O ATOM 0 H SER A 72 4.100 17.211 -8.139 1.00 0.00 H new ATOM 0 HA SER A 72 2.814 18.877 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.388 18.091 -9.071 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.052 18.820 -8.203 1.00 0.00 H new ATOM 0 HG SER A 72 2.383 20.402 -9.253 1.00 0.00 H new ATOM 1113 N PRO A 73 0.567 17.717 -5.696 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.530 16.943 -5.106 1.00 0.00 C ATOM 1115 C PRO A 73 -1.454 16.349 -6.163 1.00 0.00 C ATOM 1116 O PRO A 73 -1.745 15.153 -6.146 1.00 0.00 O ATOM 1117 CB PRO A 73 -1.278 17.976 -4.259 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.971 19.285 -4.901 1.00 0.00 C ATOM 1119 CD PRO A 73 0.424 19.161 -5.448 1.00 0.00 C ATOM 0 HA PRO A 73 -0.166 16.089 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.350 17.780 -4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.943 17.955 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.683 19.506 -5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.036 20.099 -4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.550 19.740 -6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.168 19.522 -4.738 1.00 0.00 H new ATOM 1127 N SER A 74 -1.913 17.193 -7.082 1.00 0.00 N ATOM 1128 CA SER A 74 -2.808 16.752 -8.146 1.00 0.00 C ATOM 1129 C SER A 74 -2.170 15.633 -8.963 1.00 0.00 C ATOM 1130 O SER A 74 -2.816 14.633 -9.275 1.00 0.00 O ATOM 1131 CB SER A 74 -3.167 17.926 -9.059 1.00 0.00 C ATOM 1132 OG SER A 74 -4.371 17.675 -9.763 1.00 0.00 O ATOM 0 H SER A 74 -1.680 18.186 -7.111 1.00 0.00 H new ATOM 0 HA SER A 74 -3.718 16.368 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.272 18.834 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.357 18.101 -9.768 1.00 0.00 H new ATOM 0 HG SER A 74 -5.136 17.853 -9.177 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.899 15.811 -9.307 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.173 14.817 -10.089 1.00 0.00 C ATOM 1140 C GLN A 75 -0.128 13.478 -9.360 1.00 0.00 C ATOM 1141 O GLN A 75 0.010 12.426 -9.983 1.00 0.00 O ATOM 1142 CB GLN A 75 1.248 15.302 -10.377 1.00 0.00 C ATOM 1143 CG GLN A 75 1.303 16.517 -11.290 1.00 0.00 C ATOM 1144 CD GLN A 75 2.722 16.962 -11.584 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.684 16.388 -11.073 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.860 17.991 -12.413 1.00 0.00 N ATOM 0 H GLN A 75 -0.351 16.634 -9.057 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.700 14.679 -11.033 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.739 15.544 -9.434 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.815 14.490 -10.832 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.797 16.286 -12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.757 17.339 -10.828 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.035 18.437 -12.814 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.791 18.335 -12.649 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.245 13.526 -8.037 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.219 12.316 -7.224 1.00 0.00 C ATOM 1157 C ALA A 76 -1.608 11.698 -7.115 1.00 0.00 C ATOM 1158 O ALA A 76 -1.747 10.493 -6.909 1.00 0.00 O ATOM 1159 CB ALA A 76 0.335 12.622 -5.840 1.00 0.00 C ATOM 0 H ALA A 76 -0.359 14.389 -7.506 1.00 0.00 H new ATOM 0 HA ALA A 76 0.434 11.593 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.349 11.710 -5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.349 13.011 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.296 13.365 -5.352 1.00 0.00 H new ATOM 1165 N MET A 77 -2.634 12.531 -7.254 1.00 0.00 N ATOM 1166 CA MET A 77 -4.013 12.065 -7.171 1.00 0.00 C ATOM 1167 C MET A 77 -4.449 11.422 -8.483 1.00 0.00 C ATOM 1168 O MET A 77 -5.268 10.503 -8.491 1.00 0.00 O ATOM 1169 CB MET A 77 -4.947 13.227 -6.824 1.00 0.00 C ATOM 1170 CG MET A 77 -4.648 13.866 -5.478 1.00 0.00 C ATOM 1171 SD MET A 77 -5.991 14.918 -4.895 1.00 0.00 S ATOM 1172 CE MET A 77 -5.082 16.372 -4.377 1.00 0.00 C ATOM 0 H MET A 77 -2.536 13.532 -7.425 1.00 0.00 H new ATOM 0 HA MET A 77 -4.070 11.315 -6.382 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.873 13.987 -7.602 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.976 12.868 -6.826 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.459 13.084 -4.743 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.736 14.458 -5.556 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.779 17.124 -4.007 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.385 16.102 -3.584 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.528 16.776 -5.225 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.897 11.910 -9.589 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.231 11.382 -10.906 1.00 0.00 C ATOM 1184 C GLN A 78 -3.912 9.893 -10.993 1.00 0.00 C ATOM 1185 O GLN A 78 -4.760 9.089 -11.377 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.469 12.143 -11.992 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.862 13.607 -12.100 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.701 14.153 -13.505 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.595 14.191 -14.045 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.806 14.580 -14.105 1.00 0.00 N ATOM 0 H GLN A 78 -3.217 12.670 -9.599 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.302 11.515 -11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.400 12.077 -11.788 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.641 11.658 -12.953 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.899 13.725 -11.785 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.252 14.194 -11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.702 14.530 -13.620 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.759 14.958 -15.051 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.684 9.534 -10.633 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.253 8.142 -10.672 1.00 0.00 C ATOM 1201 C GLU A 79 -2.895 7.342 -9.541 1.00 0.00 C ATOM 1202 O GLU A 79 -3.169 6.151 -9.686 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.729 8.053 -10.573 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.002 8.914 -11.592 1.00 0.00 C ATOM 1205 CD GLU A 79 1.503 8.737 -11.537 1.00 0.00 C ATOM 1206 OE1 GLU A 79 2.003 7.738 -12.097 1.00 0.00 O ATOM 1207 OE2 GLU A 79 2.181 9.595 -10.935 1.00 0.00 O ATOM 0 H GLU A 79 -1.970 10.188 -10.311 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.573 7.716 -11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.420 8.352 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.425 7.015 -10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.357 8.665 -12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.248 9.962 -11.418 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.130 8.007 -8.415 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.737 7.359 -7.258 1.00 0.00 C ATOM 1216 C TYR A 80 -5.164 6.918 -7.566 1.00 0.00 C ATOM 1217 O TYR A 80 -5.684 5.986 -6.951 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.731 8.305 -6.056 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.462 7.758 -4.851 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.844 7.612 -4.860 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.772 7.387 -3.704 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.517 7.113 -3.761 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.436 6.886 -2.601 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.808 6.751 -2.634 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.474 6.254 -1.537 1.00 0.00 O ATOM 0 H TYR A 80 -2.910 8.994 -8.279 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.147 6.474 -7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.699 8.519 -5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.186 9.252 -6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.402 7.893 -5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.698 7.492 -3.674 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.592 7.007 -3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.884 6.602 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.185 6.735 -0.733 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.792 7.594 -8.522 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.158 7.272 -8.914 1.00 0.00 C ATOM 1237 C ILE A 81 -7.180 6.247 -10.042 1.00 0.00 C ATOM 1238 O ILE A 81 -7.645 5.121 -9.863 1.00 0.00 O ATOM 1239 CB ILE A 81 -7.926 8.529 -9.364 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.514 9.256 -8.152 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.024 8.155 -10.348 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.641 10.750 -8.347 1.00 0.00 C ATOM 0 H ILE A 81 -5.376 8.368 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.647 6.852 -8.035 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.230 9.202 -9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.498 8.842 -7.932 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.885 9.063 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.558 9.054 -10.657 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.582 7.677 -11.222 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.720 7.465 -9.871 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.064 11.199 -7.449 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.656 11.177 -8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.294 10.952 -9.196 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.671 6.642 -11.204 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.628 5.756 -12.361 1.00 0.00 C ATOM 1256 C ALA A 82 -6.437 4.305 -11.934 1.00 0.00 C ATOM 1257 O ALA A 82 -7.256 3.442 -12.248 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.517 6.180 -13.310 1.00 0.00 C ATOM 0 H ALA A 82 -6.282 7.570 -11.369 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.583 5.832 -12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.497 5.510 -14.169 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.698 7.200 -13.650 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.559 6.135 -12.792 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.349 4.043 -11.216 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.050 2.696 -10.745 1.00 0.00 C ATOM 1266 C VAL A 83 -6.313 1.989 -10.264 1.00 0.00 C ATOM 1267 O VAL A 83 -6.688 0.940 -10.788 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.019 2.717 -9.601 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.374 3.789 -8.583 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.931 1.350 -8.939 1.00 0.00 C ATOM 0 H VAL A 83 -4.660 4.746 -10.948 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.631 2.151 -11.591 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.042 2.957 -10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.635 3.789 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.382 4.764 -9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.360 3.583 -8.167 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.198 1.383 -8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.905 1.079 -8.533 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.626 0.607 -9.677 1.00 0.00 H new ATOM 1280 N VAL A 84 -6.965 2.571 -9.263 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.187 1.998 -8.711 1.00 0.00 C ATOM 1282 C VAL A 84 -9.177 1.648 -9.816 1.00 0.00 C ATOM 1283 O VAL A 84 -9.977 0.722 -9.678 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.862 2.964 -7.720 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.817 3.778 -6.972 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.840 3.875 -8.446 1.00 0.00 C ATOM 0 H VAL A 84 -6.668 3.439 -8.818 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.900 1.089 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.421 2.377 -6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.313 4.455 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.160 3.107 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.228 4.357 -7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.308 4.551 -7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.306 4.456 -9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.608 3.272 -8.931 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.118 2.393 -10.915 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.008 2.162 -12.046 1.00 0.00 C ATOM 1298 C LYS A 85 -9.659 0.856 -12.754 1.00 0.00 C ATOM 1299 O LYS A 85 -10.539 0.155 -13.255 1.00 0.00 O ATOM 1300 CB LYS A 85 -9.925 3.328 -13.034 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.018 4.692 -12.373 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.057 5.809 -13.403 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.426 5.919 -14.055 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.690 7.294 -14.563 1.00 0.00 N ATOM 0 H LYS A 85 -8.462 3.163 -11.046 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.027 2.088 -11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.985 3.263 -13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.728 3.232 -13.765 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.913 4.736 -11.753 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.164 4.836 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.804 6.755 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.302 5.626 -14.168 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.494 5.208 -14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.195 5.645 -13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.633 7.327 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.650 7.969 -13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.971 7.547 -15.271 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.371 0.534 -12.791 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.905 -0.689 -13.434 1.00 0.00 C ATOM 1320 C LYS A 86 -8.306 -1.917 -12.623 1.00 0.00 C ATOM 1321 O LYS A 86 -8.599 -2.974 -13.183 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.385 -0.652 -13.606 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.916 0.337 -14.660 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.549 1.676 -14.043 1.00 0.00 C ATOM 1325 CE LYS A 86 -5.842 2.826 -14.995 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.848 2.899 -16.101 1.00 0.00 N ATOM 0 H LYS A 86 -7.630 1.104 -12.383 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.374 -0.755 -14.416 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.926 -0.397 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.034 -1.649 -13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.053 -0.072 -15.185 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.702 0.480 -15.402 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.107 1.817 -13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.491 1.680 -13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.842 2.706 -15.413 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.839 3.765 -14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.083 3.695 -16.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.897 3.039 -15.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.869 2.013 -16.645 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.318 -1.771 -11.303 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.685 -2.868 -10.415 1.00 0.00 C ATOM 1342 C LEU A 87 -10.191 -3.109 -10.441 1.00 0.00 C ATOM 1343 O LEU A 87 -10.647 -4.253 -10.410 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.230 -2.568 -8.986 1.00 0.00 C ATOM 1345 CG LEU A 87 -6.860 -1.904 -8.844 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.690 -1.324 -7.448 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.750 -2.899 -9.148 1.00 0.00 C ATOM 0 H LEU A 87 -8.078 -0.903 -10.824 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.185 -3.770 -10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.974 -1.924 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.218 -3.503 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.797 -1.089 -9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.709 -0.856 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.464 -0.579 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.774 -2.122 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.782 -2.408 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.811 -3.736 -8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.860 -3.267 -10.168 1.00 0.00 H new ATOM 1359 N ASP A 88 -10.958 -2.026 -10.500 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.413 -2.120 -10.534 1.00 0.00 C ATOM 1361 C ASP A 88 -12.990 -1.212 -11.616 1.00 0.00 C ATOM 1362 O ASP A 88 -13.230 -0.024 -11.401 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.000 -1.749 -9.172 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.517 -1.743 -9.178 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.115 -2.833 -9.062 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.104 -0.648 -9.297 1.00 0.00 O ATOM 0 H ASP A 88 -10.596 -1.073 -10.525 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.682 -3.150 -10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.645 -2.456 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.637 -0.764 -8.879 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.219 -1.784 -12.807 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.771 -1.044 -13.947 1.00 0.00 C ATOM 1373 C PRO A 89 -15.233 -0.665 -13.738 1.00 0.00 C ATOM 1374 O PRO A 89 -15.783 0.154 -14.473 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.636 -2.031 -15.109 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.631 -3.375 -14.467 1.00 0.00 C ATOM 1377 CD PRO A 89 -12.957 -3.195 -13.135 1.00 0.00 C ATOM 0 HA PRO A 89 -13.252 -0.099 -14.110 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.464 -1.931 -15.811 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.718 -1.857 -15.671 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.646 -3.752 -14.343 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.095 -4.099 -15.081 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.370 -3.866 -12.382 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.888 -3.402 -13.194 1.00 0.00 H new ATOM 1385 N GLY A 90 -15.858 -1.265 -12.729 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.251 -0.976 -12.442 1.00 0.00 C ATOM 1387 C GLY A 90 -17.414 0.125 -11.413 1.00 0.00 C ATOM 1388 O GLY A 90 -18.321 0.077 -10.582 1.00 0.00 O ATOM 0 H GLY A 90 -15.424 -1.946 -12.105 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.756 -0.686 -13.363 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.740 -1.881 -12.082 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.535 1.118 -11.468 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.585 2.236 -10.532 1.00 0.00 C ATOM 1394 C TRP A 91 -17.033 3.513 -11.234 1.00 0.00 C ATOM 1395 O TRP A 91 -16.466 3.903 -12.254 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.216 2.448 -9.885 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.143 3.682 -9.038 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.049 4.086 -8.099 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.111 4.674 -9.055 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.642 5.269 -7.531 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.455 5.651 -8.100 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.928 4.832 -9.783 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.659 6.767 -7.857 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.140 5.940 -9.540 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.507 6.896 -8.583 1.00 0.00 C ATOM 0 H TRP A 91 -15.779 1.173 -12.150 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.312 1.996 -9.756 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -14.974 1.580 -9.271 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.458 2.507 -10.666 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.953 3.554 -7.841 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.142 5.780 -6.804 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.636 4.101 -10.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.941 7.505 -7.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.224 6.072 -10.097 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.868 7.751 -8.416 1.00 0.00 H new