USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 937 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 108 HIS :FLIP no HE2:sc= -2.5 F(o=-4.2,f=-3) USER MOD Set 1.2: A 110 LYS NZ :NH3+ -178:sc= -0.523 (180deg=0) USER MOD Set 2.1: A 31 ASN :FLIP amide:sc= -4.23! C(o=-5.4!,f=-4.2!) USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 64 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD Set 3.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 33 HIS : no HE2:sc= -8.84! C(o=-9.6!,f=-13!) USER MOD Set 4.2: A 45 SER OG : rot 180:sc= -0.579 USER MOD Set 4.3: A 49 ASN : amide:sc= -0.203 X(o=-9.6,f=-9.9!) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 126:sc= -2.1! (180deg=-3.25!) USER MOD Single : A 9 GLN :FLIP amide:sc= -5.27! C(o=-6.8!,f=-5.3!) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= -0.653 (180deg=-0.936!) USER MOD Single : A 12 CYS SG : rot -7:sc= 0.39 USER MOD Single : A 18 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 22 SER OG : rot -75:sc= 1.06 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 1.37 (180deg=1.15) USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -2.59! (180deg=-4.26!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 144:sc= -0.92 USER MOD Single : A 38 ASN : amide:sc= -0.87 X(o=-0.87,f=-0.65) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -8.16! C(o=-9.9!,f=-8.2!) USER MOD Single : A 54 SER OG : rot -115:sc= 0.749 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00502) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc=0.000758 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -3.35 F(o=-7.5!,f=-3.4) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= 0.0324 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= -2.79! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -5.06! C(o=-5.1!,f=-7.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 1.06 K(o=1.1,f=-0.028) USER MOD Single : A 107 MET CE :methyl 173:sc= -9.43! (180deg=-9.99!) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 8.634 -10.329 0.974 1.00 0.00 N ATOM 38 CA ILE A 3 8.448 -8.942 0.458 1.00 0.00 C ATOM 39 C ILE A 3 8.651 -7.930 1.591 1.00 0.00 C ATOM 40 O ILE A 3 8.885 -6.760 1.358 1.00 0.00 O ATOM 41 CB ILE A 3 7.008 -8.897 -0.054 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.883 -9.786 -1.294 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.639 -7.458 -0.421 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.425 -9.814 -1.757 1.00 0.00 C ATOM 0 HA ILE A 3 9.163 -8.691 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 3 6.334 -9.256 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.522 -9.407 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.223 -10.796 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.612 -7.427 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.730 -6.823 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.311 -7.097 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.336 -10.447 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.798 -10.213 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.101 -8.802 -2.002 1.00 0.00 H new ATOM 56 N ALA A 4 8.567 -8.375 2.816 1.00 0.00 N ATOM 57 CA ALA A 4 8.759 -7.444 3.967 1.00 0.00 C ATOM 58 C ALA A 4 9.665 -8.095 5.017 1.00 0.00 C ATOM 59 O ALA A 4 9.405 -9.188 5.479 1.00 0.00 O ATOM 60 CB ALA A 4 7.357 -7.218 4.535 1.00 0.00 C ATOM 0 H ALA A 4 8.374 -9.344 3.070 1.00 0.00 H new ATOM 0 HA ALA A 4 9.231 -6.507 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.415 -6.542 5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.719 -6.780 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.936 -8.171 4.856 1.00 0.00 H new ATOM 66 N GLN A 5 10.729 -7.437 5.394 1.00 0.00 N ATOM 67 CA GLN A 5 11.645 -8.033 6.409 1.00 0.00 C ATOM 68 C GLN A 5 12.399 -6.934 7.168 1.00 0.00 C ATOM 69 O GLN A 5 13.496 -7.140 7.646 1.00 0.00 O ATOM 70 CB GLN A 5 12.619 -8.890 5.601 1.00 0.00 C ATOM 71 CG GLN A 5 13.236 -8.045 4.484 1.00 0.00 C ATOM 72 CD GLN A 5 13.039 -8.748 3.140 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.831 -8.913 2.675 1.00 0.00 O flip ATOM 74 NE2 GLN A 5 13.994 -9.151 2.506 1.00 0.00 N flip ATOM 0 H GLN A 5 11.002 -6.518 5.045 1.00 0.00 H new ATOM 0 HA GLN A 5 11.106 -8.615 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.402 -9.281 6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.099 -9.749 5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 5 12.772 -7.059 4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.298 -7.893 4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.938 -9.022 2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.851 -9.618 1.611 1.00 0.00 H new ATOM 83 N GLY A 6 11.820 -5.771 7.285 1.00 0.00 N ATOM 84 CA GLY A 6 12.507 -4.669 8.017 1.00 0.00 C ATOM 85 C GLY A 6 11.478 -3.614 8.428 1.00 0.00 C ATOM 86 O GLY A 6 11.510 -3.095 9.527 1.00 0.00 O ATOM 0 H GLY A 6 10.903 -5.536 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.013 -5.063 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.273 -4.219 7.385 1.00 0.00 H new ATOM 90 N LYS A 7 10.564 -3.297 7.553 1.00 0.00 N ATOM 91 CA LYS A 7 9.528 -2.282 7.889 1.00 0.00 C ATOM 92 C LYS A 7 8.997 -2.519 9.305 1.00 0.00 C ATOM 93 O LYS A 7 8.489 -3.577 9.616 1.00 0.00 O ATOM 94 CB LYS A 7 8.421 -2.501 6.858 1.00 0.00 C ATOM 95 CG LYS A 7 7.856 -1.151 6.415 1.00 0.00 C ATOM 96 CD LYS A 7 8.576 -0.682 5.148 1.00 0.00 C ATOM 97 CE LYS A 7 10.091 -0.796 5.344 1.00 0.00 C ATOM 98 NZ LYS A 7 10.439 0.294 6.298 1.00 0.00 N ATOM 0 H LYS A 7 10.490 -3.698 6.618 1.00 0.00 H new ATOM 0 HA LYS A 7 9.918 -1.264 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.814 -3.042 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.629 -3.115 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.786 -1.238 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.981 -0.415 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.263 -1.285 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.305 0.350 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.365 -1.773 5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.621 -0.678 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.958 -0.105 7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.034 0.999 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.568 0.750 6.637 1.00 0.00 H new ATOM 112 N GLY A 8 9.114 -1.542 10.163 1.00 0.00 N ATOM 113 CA GLY A 8 8.615 -1.709 11.559 1.00 0.00 C ATOM 114 C GLY A 8 7.264 -2.423 11.532 1.00 0.00 C ATOM 115 O GLY A 8 7.075 -3.442 12.165 1.00 0.00 O ATOM 0 H GLY A 8 9.534 -0.635 9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.331 -2.284 12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.515 -0.736 12.040 1.00 0.00 H new ATOM 119 N GLN A 9 6.324 -1.900 10.793 1.00 0.00 N ATOM 120 CA GLN A 9 4.988 -2.553 10.712 1.00 0.00 C ATOM 121 C GLN A 9 4.423 -2.404 9.297 1.00 0.00 C ATOM 122 O GLN A 9 3.592 -1.558 9.034 1.00 0.00 O ATOM 123 CB GLN A 9 4.111 -1.818 11.728 1.00 0.00 C ATOM 124 CG GLN A 9 4.183 -0.309 11.478 1.00 0.00 C ATOM 125 CD GLN A 9 4.076 0.432 12.812 1.00 0.00 C ATOM 126 OE1 GLN A 9 2.982 0.330 13.515 1.00 0.00 O flip ATOM 127 NE2 GLN A 9 4.999 1.108 13.220 1.00 0.00 N flip ATOM 0 H GLN A 9 6.424 -1.048 10.242 1.00 0.00 H new ATOM 0 HA GLN A 9 5.035 -3.620 10.928 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.079 -2.161 11.647 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.444 -2.045 12.741 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.120 -0.056 10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.377 -0.001 10.812 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.855 1.188 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.919 1.596 14.112 1.00 0.00 H new ATOM 136 N LYS A 10 4.877 -3.219 8.386 1.00 0.00 N ATOM 137 CA LYS A 10 4.379 -3.127 6.984 1.00 0.00 C ATOM 138 C LYS A 10 2.871 -3.380 6.931 1.00 0.00 C ATOM 139 O LYS A 10 2.224 -3.570 7.941 1.00 0.00 O ATOM 140 CB LYS A 10 5.130 -4.223 6.229 1.00 0.00 C ATOM 141 CG LYS A 10 5.314 -3.803 4.770 1.00 0.00 C ATOM 142 CD LYS A 10 6.672 -4.299 4.269 1.00 0.00 C ATOM 143 CE LYS A 10 7.314 -3.228 3.386 1.00 0.00 C ATOM 144 NZ LYS A 10 7.275 -3.796 2.010 1.00 0.00 N ATOM 0 H LYS A 10 5.573 -3.946 8.552 1.00 0.00 H new ATOM 0 HA LYS A 10 4.546 -2.140 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.100 -4.399 6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.576 -5.160 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.514 -4.217 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.255 -2.718 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.322 -4.526 5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.548 -5.223 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.765 -2.288 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.337 -3.019 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.831 -3.193 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.677 -4.755 2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.290 -3.837 1.679 1.00 0.00 H new ATOM 158 N LEU A 11 2.314 -3.384 5.752 1.00 0.00 N ATOM 159 CA LEU A 11 0.850 -3.622 5.611 1.00 0.00 C ATOM 160 C LEU A 11 0.448 -4.934 6.288 1.00 0.00 C ATOM 161 O LEU A 11 -0.708 -5.159 6.588 1.00 0.00 O ATOM 162 CB LEU A 11 0.620 -3.711 4.103 1.00 0.00 C ATOM 163 CG LEU A 11 -0.025 -2.417 3.609 1.00 0.00 C ATOM 164 CD1 LEU A 11 -1.327 -2.169 4.373 1.00 0.00 C ATOM 165 CD2 LEU A 11 0.936 -1.251 3.848 1.00 0.00 C ATOM 0 H LEU A 11 2.813 -3.232 4.875 1.00 0.00 H new ATOM 0 HA LEU A 11 0.258 -2.836 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.567 -3.877 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.022 -4.561 3.872 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.242 -2.501 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.786 -1.246 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.011 -3.001 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.113 -2.083 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.480 -0.326 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.150 -1.169 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.864 -1.427 3.304 1.00 0.00 H new ATOM 177 N CYS A 12 1.388 -5.805 6.526 1.00 0.00 N ATOM 178 CA CYS A 12 1.052 -7.105 7.177 1.00 0.00 C ATOM 179 C CYS A 12 1.121 -6.976 8.702 1.00 0.00 C ATOM 180 O CYS A 12 0.476 -7.711 9.424 1.00 0.00 O ATOM 181 CB CYS A 12 2.114 -8.081 6.671 1.00 0.00 C ATOM 182 SG CYS A 12 2.046 -9.606 7.644 1.00 0.00 S ATOM 0 H CYS A 12 2.374 -5.675 6.299 1.00 0.00 H new ATOM 0 HA CYS A 12 0.042 -7.437 6.938 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.947 -8.302 5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.104 -7.631 6.749 1.00 0.00 H new ATOM 0 HG CYS A 12 1.223 -9.450 8.638 1.00 0.00 H new ATOM 188 N GLU A 13 1.894 -6.050 9.200 1.00 0.00 N ATOM 189 CA GLU A 13 1.996 -5.883 10.678 1.00 0.00 C ATOM 190 C GLU A 13 0.779 -5.117 11.207 1.00 0.00 C ATOM 191 O GLU A 13 -0.018 -5.647 11.956 1.00 0.00 O ATOM 192 CB GLU A 13 3.279 -5.083 10.900 1.00 0.00 C ATOM 193 CG GLU A 13 4.478 -6.033 10.905 1.00 0.00 C ATOM 194 CD GLU A 13 4.957 -6.247 12.343 1.00 0.00 C ATOM 195 OE1 GLU A 13 5.673 -5.394 12.840 1.00 0.00 O ATOM 196 OE2 GLU A 13 4.601 -7.260 12.920 1.00 0.00 O ATOM 0 H GLU A 13 2.458 -5.403 8.649 1.00 0.00 H new ATOM 0 HA GLU A 13 2.020 -6.838 11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.396 -4.337 10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.225 -4.544 11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.201 -6.987 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.285 -5.620 10.300 1.00 0.00 H new ATOM 203 N ILE A 14 0.629 -3.878 10.823 1.00 0.00 N ATOM 204 CA ILE A 14 -0.540 -3.087 11.304 1.00 0.00 C ATOM 205 C ILE A 14 -1.806 -3.949 11.254 1.00 0.00 C ATOM 206 O ILE A 14 -2.414 -4.120 10.217 1.00 0.00 O ATOM 207 CB ILE A 14 -0.646 -1.912 10.332 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.664 -2.445 8.896 1.00 0.00 C ATOM 209 CG2 ILE A 14 0.559 -0.988 10.519 1.00 0.00 C ATOM 210 CD1 ILE A 14 -0.458 -1.291 7.915 1.00 0.00 C ATOM 0 H ILE A 14 1.264 -3.380 10.199 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.424 -2.750 12.334 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.563 -1.356 10.527 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.120 -3.191 8.765 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.613 -2.942 8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.485 -0.149 9.827 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.575 -0.613 11.542 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.477 -1.542 10.321 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.471 -1.674 6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.258 -0.561 8.039 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.502 -0.814 8.111 1.00 0.00 H new ATOM 222 N GLU A 15 -2.198 -4.503 12.368 1.00 0.00 N ATOM 223 CA GLU A 15 -3.415 -5.366 12.391 1.00 0.00 C ATOM 224 C GLU A 15 -4.645 -4.593 11.910 1.00 0.00 C ATOM 225 O GLU A 15 -5.473 -5.115 11.192 1.00 0.00 O ATOM 226 CB GLU A 15 -3.578 -5.774 13.856 1.00 0.00 C ATOM 227 CG GLU A 15 -3.949 -7.256 13.937 1.00 0.00 C ATOM 228 CD GLU A 15 -4.057 -7.673 15.405 1.00 0.00 C ATOM 229 OE1 GLU A 15 -3.924 -6.811 16.257 1.00 0.00 O ATOM 230 OE2 GLU A 15 -4.270 -8.849 15.651 1.00 0.00 O ATOM 0 H GLU A 15 -1.727 -4.396 13.266 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.315 -6.226 11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.652 -5.590 14.401 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.351 -5.169 14.329 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.895 -7.434 13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.195 -7.859 13.431 1.00 0.00 H new ATOM 237 N ARG A 16 -4.774 -3.356 12.300 1.00 0.00 N ATOM 238 CA ARG A 16 -5.958 -2.559 11.863 1.00 0.00 C ATOM 239 C ARG A 16 -5.976 -2.435 10.338 1.00 0.00 C ATOM 240 O ARG A 16 -6.905 -2.862 9.678 1.00 0.00 O ATOM 241 CB ARG A 16 -5.770 -1.187 12.510 1.00 0.00 C ATOM 242 CG ARG A 16 -7.001 -0.848 13.355 1.00 0.00 C ATOM 243 CD ARG A 16 -6.760 -1.279 14.804 1.00 0.00 C ATOM 244 NE ARG A 16 -7.290 -0.160 15.630 1.00 0.00 N ATOM 245 CZ ARG A 16 -8.274 -0.375 16.461 1.00 0.00 C ATOM 246 NH1 ARG A 16 -9.427 -0.790 16.013 1.00 0.00 N ATOM 247 NH2 ARG A 16 -8.104 -0.175 17.739 1.00 0.00 N ATOM 0 H ARG A 16 -4.114 -2.862 12.901 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.900 -3.022 12.155 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.876 -1.187 13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.623 -0.428 11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.202 0.222 13.311 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.880 -1.354 12.955 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.274 -2.214 15.029 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.700 -1.444 14.996 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.885 0.773 15.547 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.560 -0.946 15.014 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.196 -0.958 16.662 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.202 0.149 18.089 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.873 -0.343 18.388 1.00 0.00 H new ATOM 261 N ILE A 17 -4.953 -1.856 9.776 1.00 0.00 N ATOM 262 CA ILE A 17 -4.905 -1.701 8.295 1.00 0.00 C ATOM 263 C ILE A 17 -4.774 -3.073 7.627 1.00 0.00 C ATOM 264 O ILE A 17 -5.445 -3.368 6.659 1.00 0.00 O ATOM 265 CB ILE A 17 -3.666 -0.846 8.028 1.00 0.00 C ATOM 266 CG1 ILE A 17 -3.845 0.525 8.686 1.00 0.00 C ATOM 267 CG2 ILE A 17 -3.481 -0.666 6.520 1.00 0.00 C ATOM 268 CD1 ILE A 17 -2.787 0.714 9.774 1.00 0.00 C ATOM 0 H ILE A 17 -4.147 -1.483 10.278 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.808 -1.240 7.894 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.788 -1.340 8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.757 1.313 7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.843 0.605 9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.597 -0.056 6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.356 -1.641 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.358 -0.172 6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.916 1.690 10.241 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.896 -0.066 10.527 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.793 0.653 9.330 1.00 0.00 H new ATOM 280 N HIS A 18 -3.918 -3.915 8.138 1.00 0.00 N ATOM 281 CA HIS A 18 -3.752 -5.266 7.532 1.00 0.00 C ATOM 282 C HIS A 18 -5.077 -6.029 7.577 1.00 0.00 C ATOM 283 O HIS A 18 -5.411 -6.770 6.673 1.00 0.00 O ATOM 284 CB HIS A 18 -2.706 -5.964 8.400 1.00 0.00 C ATOM 285 CG HIS A 18 -2.469 -7.355 7.878 1.00 0.00 C ATOM 286 ND1 HIS A 18 -2.083 -8.399 8.704 1.00 0.00 N ATOM 287 CD2 HIS A 18 -2.560 -7.889 6.617 1.00 0.00 C ATOM 288 CE1 HIS A 18 -1.959 -9.498 7.937 1.00 0.00 C ATOM 289 NE2 HIS A 18 -2.239 -9.243 6.657 1.00 0.00 N ATOM 0 H HIS A 18 -3.327 -3.726 8.948 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.447 -5.215 6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.775 -5.398 8.392 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.045 -6.005 9.435 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.838 -7.342 5.728 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.668 -10.468 8.312 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.222 -9.899 5.876 1.00 0.00 H new ATOM 297 N PHE A 19 -5.832 -5.857 8.627 1.00 0.00 N ATOM 298 CA PHE A 19 -7.133 -6.574 8.738 1.00 0.00 C ATOM 299 C PHE A 19 -8.074 -6.153 7.603 1.00 0.00 C ATOM 300 O PHE A 19 -8.347 -6.914 6.696 1.00 0.00 O ATOM 301 CB PHE A 19 -7.695 -6.158 10.106 1.00 0.00 C ATOM 302 CG PHE A 19 -9.206 -6.227 10.085 1.00 0.00 C ATOM 303 CD1 PHE A 19 -9.846 -7.448 9.852 1.00 0.00 C ATOM 304 CD2 PHE A 19 -9.960 -5.066 10.284 1.00 0.00 C ATOM 305 CE1 PHE A 19 -11.243 -7.510 9.820 1.00 0.00 C ATOM 306 CE2 PHE A 19 -11.357 -5.126 10.251 1.00 0.00 C ATOM 307 CZ PHE A 19 -11.999 -6.348 10.021 1.00 0.00 C ATOM 0 H PHE A 19 -5.603 -5.250 9.414 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.021 -7.655 8.658 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.303 -6.813 10.884 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.372 -5.146 10.349 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.262 -8.343 9.697 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.464 -4.124 10.463 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.738 -8.453 9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.940 -4.230 10.403 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.078 -6.395 9.998 1.00 0.00 H new ATOM 317 N PHE A 20 -8.582 -4.951 7.656 1.00 0.00 N ATOM 318 CA PHE A 20 -9.518 -4.489 6.588 1.00 0.00 C ATOM 319 C PHE A 20 -9.023 -4.934 5.210 1.00 0.00 C ATOM 320 O PHE A 20 -9.795 -5.098 4.287 1.00 0.00 O ATOM 321 CB PHE A 20 -9.521 -2.964 6.691 1.00 0.00 C ATOM 322 CG PHE A 20 -10.939 -2.482 6.890 1.00 0.00 C ATOM 323 CD1 PHE A 20 -11.837 -2.487 5.817 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.356 -2.034 8.150 1.00 0.00 C ATOM 325 CE1 PHE A 20 -13.151 -2.043 6.002 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.670 -1.590 8.335 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.568 -1.595 7.260 1.00 0.00 C ATOM 0 H PHE A 20 -8.391 -4.270 8.390 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.517 -4.908 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.895 -2.643 7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.099 -2.526 5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.516 -2.834 4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.663 -2.031 8.979 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.844 -2.046 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.992 -1.244 9.306 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.582 -1.253 7.402 1.00 0.00 H new ATOM 337 N LEU A 21 -7.743 -5.126 5.063 1.00 0.00 N ATOM 338 CA LEU A 21 -7.202 -5.554 3.740 1.00 0.00 C ATOM 339 C LEU A 21 -7.386 -7.063 3.545 1.00 0.00 C ATOM 340 O LEU A 21 -7.518 -7.543 2.436 1.00 0.00 O ATOM 341 CB LEU A 21 -5.714 -5.200 3.789 1.00 0.00 C ATOM 342 CG LEU A 21 -5.475 -3.875 3.060 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.065 -3.952 1.651 1.00 0.00 C ATOM 344 CD2 LEU A 21 -6.149 -2.739 3.831 1.00 0.00 C ATOM 0 H LEU A 21 -7.047 -5.006 5.799 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.715 -5.066 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.383 -5.121 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.126 -5.992 3.326 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.403 -3.686 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.894 -3.008 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.585 -4.761 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.136 -4.142 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.979 -1.796 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.220 -2.929 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.729 -2.681 4.835 1.00 0.00 H new ATOM 356 N SER A 22 -7.393 -7.816 4.611 1.00 0.00 N ATOM 357 CA SER A 22 -7.566 -9.293 4.479 1.00 0.00 C ATOM 358 C SER A 22 -8.840 -9.612 3.692 1.00 0.00 C ATOM 359 O SER A 22 -9.016 -10.709 3.200 1.00 0.00 O ATOM 360 CB SER A 22 -7.677 -9.809 5.912 1.00 0.00 C ATOM 361 OG SER A 22 -8.985 -9.548 6.404 1.00 0.00 O ATOM 0 H SER A 22 -7.287 -7.474 5.566 1.00 0.00 H new ATOM 0 HA SER A 22 -6.739 -9.757 3.942 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.471 -10.879 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.934 -9.323 6.545 1.00 0.00 H new ATOM 0 HG SER A 22 -9.070 -8.595 6.618 1.00 0.00 H new ATOM 367 N LYS A 23 -9.730 -8.666 3.570 1.00 0.00 N ATOM 368 CA LYS A 23 -10.989 -8.924 2.816 1.00 0.00 C ATOM 369 C LYS A 23 -10.854 -8.437 1.370 1.00 0.00 C ATOM 370 O LYS A 23 -11.742 -7.806 0.833 1.00 0.00 O ATOM 371 CB LYS A 23 -12.063 -8.123 3.551 1.00 0.00 C ATOM 372 CG LYS A 23 -12.441 -8.846 4.844 1.00 0.00 C ATOM 373 CD LYS A 23 -12.441 -7.850 6.004 1.00 0.00 C ATOM 374 CE LYS A 23 -13.568 -8.199 6.978 1.00 0.00 C ATOM 375 NZ LYS A 23 -13.922 -6.910 7.634 1.00 0.00 N ATOM 0 H LYS A 23 -9.640 -7.727 3.959 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.230 -9.986 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.695 -7.122 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.942 -8.005 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.425 -9.303 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.734 -9.652 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.481 -7.875 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.574 -6.836 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.425 -8.624 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.243 -8.938 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.765 -7.043 8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.128 -6.592 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.120 -6.193 6.907 1.00 0.00 H new ATOM 389 N LYS A 24 -9.752 -8.729 0.734 1.00 0.00 N ATOM 390 CA LYS A 24 -9.570 -8.282 -0.677 1.00 0.00 C ATOM 391 C LYS A 24 -10.653 -8.897 -1.567 1.00 0.00 C ATOM 392 O LYS A 24 -11.175 -9.957 -1.283 1.00 0.00 O ATOM 393 CB LYS A 24 -8.188 -8.797 -1.081 1.00 0.00 C ATOM 394 CG LYS A 24 -7.288 -7.613 -1.443 1.00 0.00 C ATOM 395 CD LYS A 24 -7.243 -6.627 -0.274 1.00 0.00 C ATOM 396 CE LYS A 24 -7.275 -5.195 -0.811 1.00 0.00 C ATOM 397 NZ LYS A 24 -8.402 -4.538 -0.092 1.00 0.00 N ATOM 0 H LYS A 24 -8.973 -9.256 1.128 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.647 -7.200 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.747 -9.366 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.275 -9.475 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.283 -7.965 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.665 -7.116 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.090 -6.796 0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.339 -6.786 0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.333 -4.681 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.434 -5.181 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.180 -3.533 0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.270 -4.621 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.544 -5.001 0.828 1.00 0.00 H new ATOM 411 N LYS A 25 -10.999 -8.239 -2.640 1.00 0.00 N ATOM 412 CA LYS A 25 -12.051 -8.787 -3.544 1.00 0.00 C ATOM 413 C LYS A 25 -11.510 -8.928 -4.969 1.00 0.00 C ATOM 414 O LYS A 25 -10.598 -8.232 -5.369 1.00 0.00 O ATOM 415 CB LYS A 25 -13.182 -7.759 -3.502 1.00 0.00 C ATOM 416 CG LYS A 25 -14.493 -8.419 -3.936 1.00 0.00 C ATOM 417 CD LYS A 25 -15.508 -7.337 -4.310 1.00 0.00 C ATOM 418 CE LYS A 25 -16.722 -7.430 -3.382 1.00 0.00 C ATOM 419 NZ LYS A 25 -16.433 -6.476 -2.275 1.00 0.00 N ATOM 0 H LYS A 25 -10.599 -7.346 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.384 -9.777 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.283 -7.355 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.950 -6.921 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.317 -9.078 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.886 -9.038 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.050 -6.351 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.820 -7.460 -5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.640 -7.162 -3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.854 -8.444 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.221 -6.483 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.557 -6.760 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.319 -5.518 -2.663 1.00 0.00 H new ATOM 433 N THR A 26 -12.069 -9.822 -5.737 1.00 0.00 N ATOM 434 CA THR A 26 -11.594 -10.008 -7.138 1.00 0.00 C ATOM 435 C THR A 26 -11.489 -8.651 -7.839 1.00 0.00 C ATOM 436 O THR A 26 -10.431 -8.254 -8.287 1.00 0.00 O ATOM 437 CB THR A 26 -12.662 -10.875 -7.806 1.00 0.00 C ATOM 438 OG1 THR A 26 -12.659 -12.166 -7.213 1.00 0.00 O ATOM 439 CG2 THR A 26 -12.361 -10.997 -9.300 1.00 0.00 C ATOM 0 H THR A 26 -12.835 -10.433 -5.455 1.00 0.00 H new ATOM 0 HA THR A 26 -10.608 -10.470 -7.185 1.00 0.00 H new ATOM 0 HB THR A 26 -13.641 -10.415 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.344 -12.723 -7.638 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.123 -11.615 -9.775 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.363 -10.006 -9.754 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.383 -11.457 -9.438 1.00 0.00 H new ATOM 447 N ASP A 27 -12.576 -7.935 -7.934 1.00 0.00 N ATOM 448 CA ASP A 27 -12.533 -6.603 -8.601 1.00 0.00 C ATOM 449 C ASP A 27 -11.482 -5.718 -7.927 1.00 0.00 C ATOM 450 O ASP A 27 -10.618 -5.156 -8.574 1.00 0.00 O ATOM 451 CB ASP A 27 -13.931 -6.017 -8.410 1.00 0.00 C ATOM 452 CG ASP A 27 -14.408 -5.393 -9.722 1.00 0.00 C ATOM 453 OD1 ASP A 27 -13.598 -4.765 -10.385 1.00 0.00 O ATOM 454 OD2 ASP A 27 -15.574 -5.554 -10.044 1.00 0.00 O ATOM 0 H ASP A 27 -13.491 -8.214 -7.579 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.265 -6.674 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.623 -6.797 -8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.917 -5.265 -7.622 1.00 0.00 H new ATOM 459 N GLU A 28 -11.542 -5.599 -6.629 1.00 0.00 N ATOM 460 CA GLU A 28 -10.543 -4.760 -5.912 1.00 0.00 C ATOM 461 C GLU A 28 -9.130 -5.198 -6.301 1.00 0.00 C ATOM 462 O GLU A 28 -8.317 -4.405 -6.734 1.00 0.00 O ATOM 463 CB GLU A 28 -10.798 -5.021 -4.428 1.00 0.00 C ATOM 464 CG GLU A 28 -9.882 -4.130 -3.588 1.00 0.00 C ATOM 465 CD GLU A 28 -10.391 -2.688 -3.630 1.00 0.00 C ATOM 466 OE1 GLU A 28 -11.341 -2.396 -2.923 1.00 0.00 O ATOM 467 OE2 GLU A 28 -9.823 -1.903 -4.370 1.00 0.00 O ATOM 0 H GLU A 28 -12.240 -6.047 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.632 -3.701 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.841 -4.818 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.615 -6.070 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.855 -4.487 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.862 -4.178 -3.969 1.00 0.00 H new ATOM 474 N LEU A 29 -8.835 -6.461 -6.158 1.00 0.00 N ATOM 475 CA LEU A 29 -7.481 -6.960 -6.526 1.00 0.00 C ATOM 476 C LEU A 29 -7.150 -6.553 -7.963 1.00 0.00 C ATOM 477 O LEU A 29 -6.011 -6.303 -8.305 1.00 0.00 O ATOM 478 CB LEU A 29 -7.583 -8.483 -6.421 1.00 0.00 C ATOM 479 CG LEU A 29 -6.510 -9.013 -5.470 1.00 0.00 C ATOM 480 CD1 LEU A 29 -5.136 -8.492 -5.897 1.00 0.00 C ATOM 481 CD2 LEU A 29 -6.817 -8.543 -4.047 1.00 0.00 C ATOM 0 H LEU A 29 -9.475 -7.170 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.699 -6.554 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.572 -8.766 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.462 -8.933 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.505 -10.103 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.375 -8.873 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.918 -8.829 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.135 -7.402 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.053 -8.920 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.824 -7.453 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.793 -8.921 -3.742 1.00 0.00 H new ATOM 493 N ARG A 30 -8.143 -6.497 -8.805 1.00 0.00 N ATOM 494 CA ARG A 30 -7.902 -6.119 -10.226 1.00 0.00 C ATOM 495 C ARG A 30 -7.243 -4.740 -10.320 1.00 0.00 C ATOM 496 O ARG A 30 -6.226 -4.577 -10.960 1.00 0.00 O ATOM 497 CB ARG A 30 -9.291 -6.089 -10.863 1.00 0.00 C ATOM 498 CG ARG A 30 -9.254 -6.816 -12.208 1.00 0.00 C ATOM 499 CD ARG A 30 -10.663 -6.851 -12.806 1.00 0.00 C ATOM 500 NE ARG A 30 -10.545 -7.708 -14.018 1.00 0.00 N ATOM 501 CZ ARG A 30 -11.342 -7.513 -15.033 1.00 0.00 C ATOM 502 NH1 ARG A 30 -11.297 -6.385 -15.690 1.00 0.00 N ATOM 503 NH2 ARG A 30 -12.181 -8.444 -15.391 1.00 0.00 N ATOM 0 H ARG A 30 -9.115 -6.697 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.231 -6.818 -10.725 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.016 -6.563 -10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.615 -5.058 -11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.570 -6.309 -12.889 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.878 -7.830 -12.075 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.382 -7.264 -12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.008 -5.849 -13.063 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.842 -8.446 -14.055 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.639 -5.657 -15.410 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.919 -6.232 -16.483 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.215 -9.325 -14.878 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.804 -8.292 -16.184 1.00 0.00 H new ATOM 517 N ASN A 31 -7.818 -3.745 -9.704 1.00 0.00 N ATOM 518 CA ASN A 31 -7.224 -2.375 -9.783 1.00 0.00 C ATOM 519 C ASN A 31 -6.041 -2.227 -8.818 1.00 0.00 C ATOM 520 O ASN A 31 -5.039 -1.620 -9.140 1.00 0.00 O ATOM 521 CB ASN A 31 -8.363 -1.431 -9.389 1.00 0.00 C ATOM 522 CG ASN A 31 -8.545 -1.445 -7.869 1.00 0.00 C ATOM 523 OD1 ASN A 31 -9.399 -2.272 -7.332 1.00 0.00 O flip ATOM 524 ND2 ASN A 31 -7.901 -0.695 -7.161 1.00 0.00 N flip ATOM 0 H ASN A 31 -8.671 -3.818 -9.150 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.832 -2.160 -10.777 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.143 -0.419 -9.729 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.288 -1.738 -9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.233 -0.048 -7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.029 -0.713 -6.149 1.00 0.00 H new ATOM 531 N LEU A 32 -6.155 -2.760 -7.634 1.00 0.00 N ATOM 532 CA LEU A 32 -5.045 -2.633 -6.642 1.00 0.00 C ATOM 533 C LEU A 32 -3.763 -3.298 -7.154 1.00 0.00 C ATOM 534 O LEU A 32 -2.711 -2.690 -7.195 1.00 0.00 O ATOM 535 CB LEU A 32 -5.553 -3.355 -5.395 1.00 0.00 C ATOM 536 CG LEU A 32 -5.610 -2.373 -4.224 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.188 -3.076 -2.995 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.197 -1.875 -3.909 1.00 0.00 C ATOM 0 H LEU A 32 -6.970 -3.280 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.794 -1.590 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.542 -3.773 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.895 -4.190 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.244 -1.527 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.228 -2.376 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.194 -3.432 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.555 -3.922 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.236 -1.175 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.564 -2.721 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.784 -1.374 -4.784 1.00 0.00 H new ATOM 550 N HIS A 33 -3.834 -4.545 -7.524 1.00 0.00 N ATOM 551 CA HIS A 33 -2.613 -5.253 -8.009 1.00 0.00 C ATOM 552 C HIS A 33 -2.255 -4.821 -9.438 1.00 0.00 C ATOM 553 O HIS A 33 -1.123 -4.944 -9.862 1.00 0.00 O ATOM 554 CB HIS A 33 -2.981 -6.737 -7.966 1.00 0.00 C ATOM 555 CG HIS A 33 -2.167 -7.418 -6.899 1.00 0.00 C ATOM 556 ND1 HIS A 33 -2.191 -7.005 -5.575 1.00 0.00 N ATOM 557 CD2 HIS A 33 -1.299 -8.481 -6.942 1.00 0.00 C ATOM 558 CE1 HIS A 33 -1.361 -7.808 -4.884 1.00 0.00 C ATOM 559 NE2 HIS A 33 -0.791 -8.725 -5.670 1.00 0.00 N ATOM 0 H HIS A 33 -4.685 -5.107 -7.512 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.740 -5.026 -7.398 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.045 -6.854 -7.759 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.792 -7.199 -8.935 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.738 -6.233 -5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.048 -9.043 -7.830 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.178 -7.721 -3.823 1.00 0.00 H new ATOM 567 N LYS A 34 -3.202 -4.326 -10.189 1.00 0.00 N ATOM 568 CA LYS A 34 -2.893 -3.905 -11.589 1.00 0.00 C ATOM 569 C LYS A 34 -1.985 -2.673 -11.598 1.00 0.00 C ATOM 570 O LYS A 34 -1.148 -2.518 -12.465 1.00 0.00 O ATOM 571 CB LYS A 34 -4.248 -3.575 -12.218 1.00 0.00 C ATOM 572 CG LYS A 34 -4.039 -2.756 -13.494 1.00 0.00 C ATOM 573 CD LYS A 34 -4.552 -1.332 -13.274 1.00 0.00 C ATOM 574 CE LYS A 34 -6.081 -1.338 -13.236 1.00 0.00 C ATOM 575 NZ LYS A 34 -6.495 -0.379 -14.298 1.00 0.00 N ATOM 0 H LYS A 34 -4.171 -4.195 -9.897 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.366 -4.685 -12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.786 -4.494 -12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.861 -3.015 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.982 -2.737 -13.758 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.567 -3.220 -14.327 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.156 -0.932 -12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.201 -0.680 -14.074 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.477 -2.335 -13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.453 -1.030 -12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.533 -0.328 -14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.109 0.563 -14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.132 -0.702 -15.218 1.00 0.00 H new ATOM 589 N LEU A 35 -2.140 -1.792 -10.651 1.00 0.00 N ATOM 590 CA LEU A 35 -1.278 -0.576 -10.625 1.00 0.00 C ATOM 591 C LEU A 35 -0.276 -0.667 -9.473 1.00 0.00 C ATOM 592 O LEU A 35 0.905 -0.438 -9.641 1.00 0.00 O ATOM 593 CB LEU A 35 -2.240 0.592 -10.408 1.00 0.00 C ATOM 594 CG LEU A 35 -1.441 1.849 -10.057 1.00 0.00 C ATOM 595 CD1 LEU A 35 -1.678 2.921 -11.123 1.00 0.00 C ATOM 596 CD2 LEU A 35 -1.894 2.379 -8.695 1.00 0.00 C ATOM 0 H LEU A 35 -2.823 -1.859 -9.896 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.701 -0.460 -11.542 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.831 0.763 -11.308 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.940 0.357 -9.606 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.380 1.603 -10.018 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.108 3.816 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.355 2.546 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.739 3.166 -11.163 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.325 3.274 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.956 2.623 -8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.725 1.617 -7.934 1.00 0.00 H new ATOM 608 N LEU A 36 -0.741 -1.002 -8.304 1.00 0.00 N ATOM 609 CA LEU A 36 0.178 -1.112 -7.137 1.00 0.00 C ATOM 610 C LEU A 36 1.300 -2.110 -7.437 1.00 0.00 C ATOM 611 O LEU A 36 2.469 -1.792 -7.336 1.00 0.00 O ATOM 612 CB LEU A 36 -0.695 -1.618 -5.988 1.00 0.00 C ATOM 613 CG LEU A 36 0.043 -1.420 -4.663 1.00 0.00 C ATOM 614 CD1 LEU A 36 -0.420 -0.118 -4.007 1.00 0.00 C ATOM 615 CD2 LEU A 36 -0.260 -2.595 -3.729 1.00 0.00 C ATOM 0 H LEU A 36 -1.720 -1.205 -8.105 1.00 0.00 H new ATOM 0 HA LEU A 36 0.654 -0.161 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.643 -1.080 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.929 -2.673 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 36 1.115 -1.370 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.107 0.021 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.205 0.720 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.493 -0.166 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.266 -2.454 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.333 -2.645 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.071 -3.524 -4.194 1.00 0.00 H new ATOM 627 N TYR A 37 0.956 -3.317 -7.791 1.00 0.00 N ATOM 628 CA TYR A 37 2.006 -4.337 -8.079 1.00 0.00 C ATOM 629 C TYR A 37 2.138 -4.570 -9.586 1.00 0.00 C ATOM 630 O TYR A 37 2.964 -5.342 -10.030 1.00 0.00 O ATOM 631 CB TYR A 37 1.517 -5.607 -7.384 1.00 0.00 C ATOM 632 CG TYR A 37 2.443 -5.942 -6.242 1.00 0.00 C ATOM 633 CD1 TYR A 37 3.828 -5.927 -6.438 1.00 0.00 C ATOM 634 CD2 TYR A 37 1.917 -6.269 -4.988 1.00 0.00 C ATOM 635 CE1 TYR A 37 4.688 -6.238 -5.379 1.00 0.00 C ATOM 636 CE2 TYR A 37 2.775 -6.580 -3.929 1.00 0.00 C ATOM 637 CZ TYR A 37 4.162 -6.566 -4.124 1.00 0.00 C ATOM 638 OH TYR A 37 5.011 -6.873 -3.080 1.00 0.00 O ATOM 0 H TYR A 37 -0.005 -3.642 -7.894 1.00 0.00 H new ATOM 0 HA TYR A 37 2.988 -4.023 -7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.502 -5.464 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.484 -6.433 -8.094 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.234 -5.675 -7.407 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.848 -6.281 -4.838 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.757 -6.225 -5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.368 -6.831 -2.960 1.00 0.00 H new ATOM 0 HH TYR A 37 4.638 -6.527 -2.242 1.00 0.00 H new ATOM 648 N ASN A 38 1.330 -3.920 -10.377 1.00 0.00 N ATOM 649 CA ASN A 38 1.422 -4.125 -11.852 1.00 0.00 C ATOM 650 C ASN A 38 1.388 -5.620 -12.174 1.00 0.00 C ATOM 651 O ASN A 38 2.031 -6.083 -13.095 1.00 0.00 O ATOM 652 CB ASN A 38 2.766 -3.522 -12.257 1.00 0.00 C ATOM 653 CG ASN A 38 2.917 -3.587 -13.778 1.00 0.00 C ATOM 654 OD1 ASN A 38 2.210 -2.910 -14.499 1.00 0.00 O ATOM 655 ND2 ASN A 38 3.812 -4.380 -14.300 1.00 0.00 N ATOM 0 H ASN A 38 0.615 -3.260 -10.070 1.00 0.00 H new ATOM 0 HA ASN A 38 0.593 -3.661 -12.386 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.829 -2.488 -11.919 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.580 -4.065 -11.777 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.919 -4.432 -15.313 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.405 -4.948 -13.695 1.00 0.00 H new ATOM 662 N ARG A 39 0.645 -6.381 -11.417 1.00 0.00 N ATOM 663 CA ARG A 39 0.574 -7.849 -11.673 1.00 0.00 C ATOM 664 C ARG A 39 -0.794 -8.391 -11.249 1.00 0.00 C ATOM 665 O ARG A 39 -1.360 -7.948 -10.270 1.00 0.00 O ATOM 666 CB ARG A 39 1.682 -8.449 -10.805 1.00 0.00 C ATOM 667 CG ARG A 39 2.233 -9.712 -11.468 1.00 0.00 C ATOM 668 CD ARG A 39 3.414 -10.241 -10.649 1.00 0.00 C ATOM 669 NE ARG A 39 3.851 -11.477 -11.354 1.00 0.00 N ATOM 670 CZ ARG A 39 5.069 -11.572 -11.813 1.00 0.00 C ATOM 671 NH1 ARG A 39 5.345 -11.159 -13.020 1.00 0.00 N ATOM 672 NH2 ARG A 39 6.012 -12.075 -11.064 1.00 0.00 N ATOM 0 H ARG A 39 0.084 -6.050 -10.632 1.00 0.00 H new ATOM 0 HA ARG A 39 0.700 -8.096 -12.727 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.482 -7.722 -10.666 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.292 -8.687 -9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.453 -10.471 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.552 -9.492 -12.487 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.220 -9.509 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.117 -10.456 -9.623 1.00 0.00 H new ATOM 0 HE ARG A 39 3.198 -12.250 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.609 -10.762 -13.604 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.297 -11.233 -13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.797 -12.394 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.964 -12.149 -11.423 1.00 0.00 H new ATOM 686 N PRO A 40 -1.278 -9.338 -12.005 1.00 0.00 N ATOM 687 CA PRO A 40 -2.596 -9.954 -11.706 1.00 0.00 C ATOM 688 C PRO A 40 -2.513 -10.801 -10.432 1.00 0.00 C ATOM 689 O PRO A 40 -2.407 -12.010 -10.482 1.00 0.00 O ATOM 690 CB PRO A 40 -2.870 -10.824 -12.932 1.00 0.00 C ATOM 691 CG PRO A 40 -1.520 -11.116 -13.502 1.00 0.00 C ATOM 692 CD PRO A 40 -0.654 -9.924 -13.197 1.00 0.00 C ATOM 0 HA PRO A 40 -3.384 -9.222 -11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.390 -11.742 -12.658 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.500 -10.304 -13.653 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.102 -12.021 -13.062 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.582 -11.284 -14.577 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.378 -10.217 -13.006 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.636 -9.219 -14.028 1.00 0.00 H new ATOM 700 N GLY A 41 -2.559 -10.169 -9.290 1.00 0.00 N ATOM 701 CA GLY A 41 -2.482 -10.928 -8.011 1.00 0.00 C ATOM 702 C GLY A 41 -3.359 -12.177 -8.096 1.00 0.00 C ATOM 703 O GLY A 41 -4.463 -12.142 -8.602 1.00 0.00 O ATOM 0 H GLY A 41 -2.647 -9.158 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.449 -11.211 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.809 -10.298 -7.184 1.00 0.00 H new ATOM 707 N THR A 42 -2.878 -13.281 -7.593 1.00 0.00 N ATOM 708 CA THR A 42 -3.684 -14.536 -7.634 1.00 0.00 C ATOM 709 C THR A 42 -4.251 -14.834 -6.238 1.00 0.00 C ATOM 710 O THR A 42 -5.105 -14.122 -5.749 1.00 0.00 O ATOM 711 CB THR A 42 -2.709 -15.630 -8.083 1.00 0.00 C ATOM 712 OG1 THR A 42 -3.294 -16.904 -7.850 1.00 0.00 O ATOM 713 CG2 THR A 42 -1.401 -15.517 -7.297 1.00 0.00 C ATOM 0 H THR A 42 -1.961 -13.369 -7.155 1.00 0.00 H new ATOM 0 HA THR A 42 -4.535 -14.466 -8.312 1.00 0.00 H new ATOM 0 HB THR A 42 -2.498 -15.511 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.674 -17.606 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.713 -16.298 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.952 -14.540 -7.476 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.605 -15.633 -6.233 1.00 0.00 H new ATOM 721 N VAL A 43 -3.787 -15.869 -5.587 1.00 0.00 N ATOM 722 CA VAL A 43 -4.308 -16.182 -4.226 1.00 0.00 C ATOM 723 C VAL A 43 -3.221 -15.915 -3.182 1.00 0.00 C ATOM 724 O VAL A 43 -3.396 -15.127 -2.273 1.00 0.00 O ATOM 725 CB VAL A 43 -4.659 -17.670 -4.269 1.00 0.00 C ATOM 726 CG1 VAL A 43 -5.322 -18.077 -2.952 1.00 0.00 C ATOM 727 CG2 VAL A 43 -5.625 -17.935 -5.427 1.00 0.00 C ATOM 0 H VAL A 43 -3.073 -16.507 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.170 -15.571 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.749 -18.252 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.572 -19.137 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.636 -17.890 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.231 -17.494 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.875 -18.996 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.535 -17.352 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.154 -17.646 -6.367 1.00 0.00 H new ATOM 737 N SER A 44 -2.095 -16.564 -3.313 1.00 0.00 N ATOM 738 CA SER A 44 -0.990 -16.352 -2.335 1.00 0.00 C ATOM 739 C SER A 44 -0.337 -14.986 -2.563 1.00 0.00 C ATOM 740 O SER A 44 0.358 -14.470 -1.708 1.00 0.00 O ATOM 741 CB SER A 44 0.007 -17.474 -2.618 1.00 0.00 C ATOM 742 OG SER A 44 1.315 -17.044 -2.263 1.00 0.00 O ATOM 0 H SER A 44 -1.893 -17.233 -4.056 1.00 0.00 H new ATOM 0 HA SER A 44 -1.342 -16.368 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.261 -18.365 -2.051 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.025 -17.746 -3.673 1.00 0.00 H new ATOM 0 HG SER A 44 1.956 -17.763 -2.443 1.00 0.00 H new ATOM 748 N SER A 45 -0.559 -14.393 -3.705 1.00 0.00 N ATOM 749 CA SER A 45 0.048 -13.061 -3.978 1.00 0.00 C ATOM 750 C SER A 45 -0.888 -11.965 -3.482 1.00 0.00 C ATOM 751 O SER A 45 -0.564 -11.209 -2.588 1.00 0.00 O ATOM 752 CB SER A 45 0.194 -12.994 -5.497 1.00 0.00 C ATOM 753 OG SER A 45 1.410 -12.335 -5.823 1.00 0.00 O ATOM 0 H SER A 45 -1.133 -14.773 -4.458 1.00 0.00 H new ATOM 0 HA SER A 45 1.006 -12.925 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.187 -13.999 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.651 -12.460 -5.932 1.00 0.00 H new ATOM 0 HG SER A 45 1.507 -12.291 -6.797 1.00 0.00 H new ATOM 759 N LEU A 46 -2.055 -11.882 -4.050 1.00 0.00 N ATOM 760 CA LEU A 46 -3.025 -10.848 -3.610 1.00 0.00 C ATOM 761 C LEU A 46 -3.062 -10.795 -2.077 1.00 0.00 C ATOM 762 O LEU A 46 -3.192 -9.743 -1.483 1.00 0.00 O ATOM 763 CB LEU A 46 -4.364 -11.308 -4.216 1.00 0.00 C ATOM 764 CG LEU A 46 -5.251 -11.987 -3.161 1.00 0.00 C ATOM 765 CD1 LEU A 46 -5.858 -10.927 -2.241 1.00 0.00 C ATOM 766 CD2 LEU A 46 -6.374 -12.754 -3.861 1.00 0.00 C ATOM 0 H LEU A 46 -2.380 -12.489 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.773 -9.839 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.888 -10.450 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.175 -12.001 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.648 -12.677 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.487 -11.411 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.059 -10.377 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.461 -10.236 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.005 -13.237 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.975 -12.062 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.944 -13.511 -4.517 1.00 0.00 H new ATOM 778 N LYS A 47 -2.945 -11.927 -1.438 1.00 0.00 N ATOM 779 CA LYS A 47 -2.971 -11.950 0.053 1.00 0.00 C ATOM 780 C LYS A 47 -1.673 -11.365 0.613 1.00 0.00 C ATOM 781 O LYS A 47 -1.678 -10.358 1.293 1.00 0.00 O ATOM 782 CB LYS A 47 -3.096 -13.427 0.424 1.00 0.00 C ATOM 783 CG LYS A 47 -4.000 -13.571 1.649 1.00 0.00 C ATOM 784 CD LYS A 47 -5.437 -13.209 1.269 1.00 0.00 C ATOM 785 CE LYS A 47 -5.976 -14.239 0.275 1.00 0.00 C ATOM 786 NZ LYS A 47 -7.265 -14.699 0.861 1.00 0.00 N ATOM 0 H LYS A 47 -2.832 -12.837 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.789 -11.356 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.508 -13.990 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.111 -13.845 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.959 -14.593 2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.650 -12.921 2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.065 -13.184 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.468 -12.212 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.125 -13.797 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.280 -15.069 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.697 -15.409 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.091 -15.121 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.909 -13.889 0.962 1.00 0.00 H new ATOM 800 N LYS A 48 -0.560 -11.987 0.335 1.00 0.00 N ATOM 801 CA LYS A 48 0.734 -11.461 0.857 1.00 0.00 C ATOM 802 C LYS A 48 1.030 -10.085 0.249 1.00 0.00 C ATOM 803 O LYS A 48 1.249 -9.120 0.955 1.00 0.00 O ATOM 804 CB LYS A 48 1.782 -12.483 0.417 1.00 0.00 C ATOM 805 CG LYS A 48 1.700 -13.718 1.319 1.00 0.00 C ATOM 806 CD LYS A 48 2.732 -14.752 0.864 1.00 0.00 C ATOM 807 CE LYS A 48 2.792 -15.893 1.882 1.00 0.00 C ATOM 808 NZ LYS A 48 3.385 -17.041 1.142 1.00 0.00 N ATOM 0 H LYS A 48 -0.490 -12.834 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 48 0.723 -11.331 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.615 -12.767 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.779 -12.045 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.884 -13.437 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.698 -14.146 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.465 -15.141 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.712 -14.285 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.402 -15.621 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.799 -16.138 2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.458 -17.862 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.779 -17.282 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.333 -16.782 0.801 1.00 0.00 H new ATOM 822 N ASN A 49 1.038 -9.988 -1.052 1.00 0.00 N ATOM 823 CA ASN A 49 1.320 -8.674 -1.702 1.00 0.00 C ATOM 824 C ASN A 49 0.570 -7.550 -0.983 1.00 0.00 C ATOM 825 O ASN A 49 1.167 -6.696 -0.361 1.00 0.00 O ATOM 826 CB ASN A 49 0.813 -8.823 -3.137 1.00 0.00 C ATOM 827 CG ASN A 49 1.724 -9.782 -3.904 1.00 0.00 C ATOM 828 OD1 ASN A 49 2.441 -10.563 -3.310 1.00 0.00 O ATOM 829 ND2 ASN A 49 1.726 -9.757 -5.209 1.00 0.00 N ATOM 0 H ASN A 49 0.862 -10.761 -1.694 1.00 0.00 H new ATOM 0 HA ASN A 49 2.379 -8.419 -1.667 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.210 -9.200 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.794 -7.851 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.329 -10.393 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.124 -9.101 -5.707 1.00 0.00 H new ATOM 836 N VAL A 50 -0.734 -7.541 -1.065 1.00 0.00 N ATOM 837 CA VAL A 50 -1.512 -6.466 -0.384 1.00 0.00 C ATOM 838 C VAL A 50 -0.940 -6.208 1.013 1.00 0.00 C ATOM 839 O VAL A 50 -0.507 -5.116 1.325 1.00 0.00 O ATOM 840 CB VAL A 50 -2.941 -7.007 -0.296 1.00 0.00 C ATOM 841 CG1 VAL A 50 -3.789 -6.090 0.590 1.00 0.00 C ATOM 842 CG2 VAL A 50 -3.550 -7.057 -1.700 1.00 0.00 C ATOM 0 H VAL A 50 -1.292 -8.228 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.472 -5.518 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.922 -8.008 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.805 -6.480 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.357 -6.049 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.809 -5.088 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.568 -7.442 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.565 -6.054 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.951 -7.711 -2.333 1.00 0.00 H new ATOM 852 N GLY A 51 -0.927 -7.204 1.854 1.00 0.00 N ATOM 853 CA GLY A 51 -0.378 -7.016 3.227 1.00 0.00 C ATOM 854 C GLY A 51 1.100 -6.627 3.140 1.00 0.00 C ATOM 855 O GLY A 51 1.654 -6.051 4.054 1.00 0.00 O ATOM 0 H GLY A 51 -1.273 -8.142 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.938 -6.241 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.489 -7.935 3.803 1.00 0.00 H new ATOM 859 N GLN A 52 1.747 -6.942 2.048 1.00 0.00 N ATOM 860 CA GLN A 52 3.191 -6.589 1.908 1.00 0.00 C ATOM 861 C GLN A 52 3.451 -5.951 0.539 1.00 0.00 C ATOM 862 O GLN A 52 4.074 -6.540 -0.322 1.00 0.00 O ATOM 863 CB GLN A 52 3.948 -7.917 2.027 1.00 0.00 C ATOM 864 CG GLN A 52 3.561 -8.629 3.327 1.00 0.00 C ATOM 865 CD GLN A 52 4.544 -8.254 4.439 1.00 0.00 C ATOM 866 OE1 GLN A 52 4.637 -7.009 4.826 1.00 0.00 O flip ATOM 867 NE2 GLN A 52 5.233 -9.105 4.966 1.00 0.00 N flip ATOM 0 H GLN A 52 1.339 -7.427 1.249 1.00 0.00 H new ATOM 0 HA GLN A 52 3.509 -5.871 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.718 -8.553 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.023 -7.735 2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.548 -8.351 3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.564 -9.708 3.176 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.162 -10.077 4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.883 -8.847 5.709 1.00 0.00 H new ATOM 876 N PHE A 53 2.980 -4.751 0.331 1.00 0.00 N ATOM 877 CA PHE A 53 3.202 -4.078 -0.984 1.00 0.00 C ATOM 878 C PHE A 53 4.623 -3.507 -1.049 1.00 0.00 C ATOM 879 O PHE A 53 5.519 -4.107 -1.612 1.00 0.00 O ATOM 880 CB PHE A 53 2.151 -2.960 -1.032 1.00 0.00 C ATOM 881 CG PHE A 53 2.616 -1.844 -1.943 1.00 0.00 C ATOM 882 CD1 PHE A 53 2.897 -2.108 -3.289 1.00 0.00 C ATOM 883 CD2 PHE A 53 2.770 -0.549 -1.436 1.00 0.00 C ATOM 884 CE1 PHE A 53 3.330 -1.075 -4.129 1.00 0.00 C ATOM 885 CE2 PHE A 53 3.204 0.484 -2.276 1.00 0.00 C ATOM 886 CZ PHE A 53 3.484 0.221 -3.622 1.00 0.00 C ATOM 0 H PHE A 53 2.452 -4.207 1.013 1.00 0.00 H new ATOM 0 HA PHE A 53 3.104 -4.759 -1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.201 -3.359 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.977 -2.571 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.780 -3.108 -3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.554 -0.346 -0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.545 -1.278 -5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.323 1.484 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.819 1.018 -4.270 1.00 0.00 H new ATOM 896 N SER A 54 4.834 -2.353 -0.480 1.00 0.00 N ATOM 897 CA SER A 54 6.193 -1.742 -0.511 1.00 0.00 C ATOM 898 C SER A 54 6.569 -1.220 0.878 1.00 0.00 C ATOM 899 O SER A 54 7.677 -1.402 1.341 1.00 0.00 O ATOM 900 CB SER A 54 6.084 -0.588 -1.506 1.00 0.00 C ATOM 901 OG SER A 54 5.862 0.624 -0.796 1.00 0.00 O ATOM 0 H SER A 54 4.124 -1.806 0.006 1.00 0.00 H new ATOM 0 HA SER A 54 6.962 -2.458 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.997 -0.515 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.266 -0.770 -2.203 1.00 0.00 H new ATOM 0 HG SER A 54 4.975 0.976 -1.019 1.00 0.00 H new ATOM 907 N GLY A 55 5.654 -0.574 1.546 1.00 0.00 N ATOM 908 CA GLY A 55 5.960 -0.043 2.903 1.00 0.00 C ATOM 909 C GLY A 55 5.153 1.233 3.151 1.00 0.00 C ATOM 910 O GLY A 55 5.705 2.285 3.401 1.00 0.00 O ATOM 0 H GLY A 55 4.708 -0.391 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.719 -0.790 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.026 0.167 2.990 1.00 0.00 H new ATOM 914 N PHE A 56 3.850 1.143 3.081 1.00 0.00 N ATOM 915 CA PHE A 56 3.000 2.348 3.316 1.00 0.00 C ATOM 916 C PHE A 56 3.571 3.207 4.449 1.00 0.00 C ATOM 917 O PHE A 56 3.778 4.391 4.277 1.00 0.00 O ATOM 918 CB PHE A 56 1.628 1.794 3.704 1.00 0.00 C ATOM 919 CG PHE A 56 0.810 1.518 2.459 1.00 0.00 C ATOM 920 CD1 PHE A 56 1.433 1.443 1.205 1.00 0.00 C ATOM 921 CD2 PHE A 56 -0.574 1.340 2.560 1.00 0.00 C ATOM 922 CE1 PHE A 56 0.672 1.190 0.058 1.00 0.00 C ATOM 923 CE2 PHE A 56 -1.335 1.088 1.414 1.00 0.00 C ATOM 924 CZ PHE A 56 -0.713 1.013 0.162 1.00 0.00 C ATOM 0 H PHE A 56 3.338 0.286 2.871 1.00 0.00 H new ATOM 0 HA PHE A 56 2.953 2.989 2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.747 0.877 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.106 2.507 4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.501 1.581 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.056 1.397 3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.153 1.131 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.403 0.951 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.301 0.819 -0.723 1.00 0.00 H new ATOM 934 N PRO A 57 3.814 2.584 5.575 1.00 0.00 N ATOM 935 CA PRO A 57 4.370 3.320 6.738 1.00 0.00 C ATOM 936 C PRO A 57 5.819 3.739 6.470 1.00 0.00 C ATOM 937 O PRO A 57 6.722 3.407 7.214 1.00 0.00 O ATOM 938 CB PRO A 57 4.282 2.310 7.880 1.00 0.00 C ATOM 939 CG PRO A 57 4.277 0.976 7.210 1.00 0.00 C ATOM 940 CD PRO A 57 3.600 1.162 5.877 1.00 0.00 C ATOM 0 HA PRO A 57 3.834 4.243 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.128 2.408 8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.378 2.459 8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.294 0.605 7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.745 0.241 7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.037 0.520 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.539 0.919 5.929 1.00 0.00 H new ATOM 948 N PHE A 58 6.045 4.467 5.410 1.00 0.00 N ATOM 949 CA PHE A 58 7.431 4.915 5.085 1.00 0.00 C ATOM 950 C PHE A 58 7.690 6.315 5.655 1.00 0.00 C ATOM 951 O PHE A 58 7.231 6.651 6.729 1.00 0.00 O ATOM 952 CB PHE A 58 7.498 4.910 3.552 1.00 0.00 C ATOM 953 CG PHE A 58 6.880 6.169 2.970 1.00 0.00 C ATOM 954 CD1 PHE A 58 5.864 6.855 3.651 1.00 0.00 C ATOM 955 CD2 PHE A 58 7.329 6.644 1.731 1.00 0.00 C ATOM 956 CE1 PHE A 58 5.303 8.011 3.094 1.00 0.00 C ATOM 957 CE2 PHE A 58 6.767 7.800 1.175 1.00 0.00 C ATOM 958 CZ PHE A 58 5.755 8.483 1.855 1.00 0.00 C ATOM 0 H PHE A 58 5.327 4.772 4.753 1.00 0.00 H new ATOM 0 HA PHE A 58 8.192 4.267 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.537 4.830 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.977 4.034 3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.514 6.492 4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.110 6.117 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.521 8.539 3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.116 8.164 0.220 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.322 9.374 1.426 1.00 0.00 H new ATOM 968 N GLU A 59 8.419 7.135 4.946 1.00 0.00 N ATOM 969 CA GLU A 59 8.701 8.509 5.452 1.00 0.00 C ATOM 970 C GLU A 59 8.018 9.555 4.566 1.00 0.00 C ATOM 971 O GLU A 59 7.811 9.345 3.388 1.00 0.00 O ATOM 972 CB GLU A 59 10.220 8.655 5.371 1.00 0.00 C ATOM 973 CG GLU A 59 10.802 8.720 6.785 1.00 0.00 C ATOM 974 CD GLU A 59 11.644 9.989 6.933 1.00 0.00 C ATOM 975 OE1 GLU A 59 12.418 10.270 6.033 1.00 0.00 O ATOM 976 OE2 GLU A 59 11.499 10.658 7.943 1.00 0.00 O ATOM 0 H GLU A 59 8.831 6.913 4.040 1.00 0.00 H new ATOM 0 HA GLU A 59 8.327 8.658 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.649 7.813 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.480 9.557 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.998 8.716 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.415 7.840 6.978 1.00 0.00 H new ATOM 983 N LYS A 60 7.665 10.680 5.126 1.00 0.00 N ATOM 984 CA LYS A 60 6.993 11.739 4.318 1.00 0.00 C ATOM 985 C LYS A 60 7.880 12.984 4.231 1.00 0.00 C ATOM 986 O LYS A 60 9.048 12.951 4.567 1.00 0.00 O ATOM 987 CB LYS A 60 5.701 12.055 5.074 1.00 0.00 C ATOM 988 CG LYS A 60 6.044 12.660 6.435 1.00 0.00 C ATOM 989 CD LYS A 60 4.760 13.123 7.128 1.00 0.00 C ATOM 990 CE LYS A 60 4.801 14.642 7.312 1.00 0.00 C ATOM 991 NZ LYS A 60 3.379 15.078 7.245 1.00 0.00 N ATOM 0 H LYS A 60 7.813 10.912 6.108 1.00 0.00 H new ATOM 0 HA LYS A 60 6.799 11.415 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.091 12.750 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.112 11.147 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.558 11.923 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.725 13.501 6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.891 12.841 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.658 12.631 8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.252 14.912 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.397 15.118 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.326 16.110 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.978 14.814 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.838 14.615 8.003 1.00 0.00 H new ATOM 1005 N GLY A 61 7.333 14.083 3.786 1.00 0.00 N ATOM 1006 CA GLY A 61 8.143 15.331 3.679 1.00 0.00 C ATOM 1007 C GLY A 61 9.277 15.123 2.675 1.00 0.00 C ATOM 1008 O GLY A 61 10.193 15.916 2.586 1.00 0.00 O ATOM 0 H GLY A 61 6.360 14.171 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.511 16.161 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.551 15.596 4.654 1.00 0.00 H new ATOM 1012 N SER A 62 9.223 14.062 1.916 1.00 0.00 N ATOM 1013 CA SER A 62 10.302 13.804 0.918 1.00 0.00 C ATOM 1014 C SER A 62 9.791 14.075 -0.501 1.00 0.00 C ATOM 1015 O SER A 62 8.607 14.205 -0.733 1.00 0.00 O ATOM 1016 CB SER A 62 10.649 12.326 1.089 1.00 0.00 C ATOM 1017 OG SER A 62 11.920 12.213 1.718 1.00 0.00 O ATOM 0 H SER A 62 8.480 13.364 1.943 1.00 0.00 H new ATOM 0 HA SER A 62 11.168 14.449 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.887 11.829 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.665 11.829 0.119 1.00 0.00 H new ATOM 0 HG SER A 62 12.146 11.266 1.831 1.00 0.00 H new ATOM 1023 N VAL A 63 10.677 14.163 -1.455 1.00 0.00 N ATOM 1024 CA VAL A 63 10.237 14.423 -2.855 1.00 0.00 C ATOM 1025 C VAL A 63 9.109 13.462 -3.243 1.00 0.00 C ATOM 1026 O VAL A 63 8.115 13.856 -3.823 1.00 0.00 O ATOM 1027 CB VAL A 63 11.476 14.174 -3.718 1.00 0.00 C ATOM 1028 CG1 VAL A 63 12.568 15.179 -3.349 1.00 0.00 C ATOM 1029 CG2 VAL A 63 11.991 12.753 -3.479 1.00 0.00 C ATOM 0 H VAL A 63 11.684 14.066 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 63 9.851 15.434 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 63 11.213 14.293 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.450 15.000 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.204 16.192 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.830 15.062 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 63 12.873 12.577 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.252 12.633 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.215 12.035 -3.745 1.00 0.00 H new ATOM 1039 N GLN A 64 9.254 12.203 -2.927 1.00 0.00 N ATOM 1040 CA GLN A 64 8.190 11.220 -3.280 1.00 0.00 C ATOM 1041 C GLN A 64 6.919 11.502 -2.474 1.00 0.00 C ATOM 1042 O GLN A 64 5.822 11.449 -2.993 1.00 0.00 O ATOM 1043 CB GLN A 64 8.774 9.851 -2.919 1.00 0.00 C ATOM 1044 CG GLN A 64 8.720 9.645 -1.404 1.00 0.00 C ATOM 1045 CD GLN A 64 9.383 8.313 -1.046 1.00 0.00 C ATOM 1046 OE1 GLN A 64 10.360 8.282 -0.326 1.00 0.00 O ATOM 1047 NE2 GLN A 64 8.888 7.203 -1.523 1.00 0.00 N ATOM 0 H GLN A 64 10.062 11.814 -2.441 1.00 0.00 H new ATOM 0 HA GLN A 64 7.911 11.273 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.214 9.063 -3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.804 9.782 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.229 10.465 -0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.685 9.652 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.067 7.229 -2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.322 6.310 -1.291 1.00 0.00 H new ATOM 1056 N TYR A 65 7.058 11.808 -1.212 1.00 0.00 N ATOM 1057 CA TYR A 65 5.851 12.099 -0.386 1.00 0.00 C ATOM 1058 C TYR A 65 4.903 13.010 -1.173 1.00 0.00 C ATOM 1059 O TYR A 65 3.798 12.630 -1.506 1.00 0.00 O ATOM 1060 CB TYR A 65 6.387 12.803 0.864 1.00 0.00 C ATOM 1061 CG TYR A 65 5.283 13.592 1.524 1.00 0.00 C ATOM 1062 CD1 TYR A 65 4.177 12.930 2.071 1.00 0.00 C ATOM 1063 CD2 TYR A 65 5.366 14.987 1.588 1.00 0.00 C ATOM 1064 CE1 TYR A 65 3.155 13.664 2.684 1.00 0.00 C ATOM 1065 CE2 TYR A 65 4.345 15.722 2.202 1.00 0.00 C ATOM 1066 CZ TYR A 65 3.239 15.059 2.749 1.00 0.00 C ATOM 1067 OH TYR A 65 2.231 15.782 3.355 1.00 0.00 O ATOM 0 H TYR A 65 7.949 11.869 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 65 5.287 11.204 -0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.788 12.068 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.208 13.467 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.113 11.853 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.218 15.497 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.302 13.154 3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.410 16.799 2.254 1.00 0.00 H new ATOM 0 HH TYR A 65 2.445 16.738 3.316 1.00 0.00 H new ATOM 1077 N LYS A 66 5.334 14.200 -1.488 1.00 0.00 N ATOM 1078 CA LYS A 66 4.461 15.118 -2.272 1.00 0.00 C ATOM 1079 C LYS A 66 3.949 14.380 -3.511 1.00 0.00 C ATOM 1080 O LYS A 66 2.778 14.427 -3.845 1.00 0.00 O ATOM 1081 CB LYS A 66 5.370 16.282 -2.672 1.00 0.00 C ATOM 1082 CG LYS A 66 5.867 16.998 -1.415 1.00 0.00 C ATOM 1083 CD LYS A 66 7.319 16.599 -1.140 1.00 0.00 C ATOM 1084 CE LYS A 66 8.161 17.857 -0.911 1.00 0.00 C ATOM 1085 NZ LYS A 66 8.350 17.930 0.565 1.00 0.00 N ATOM 0 H LYS A 66 6.249 14.575 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 66 3.592 15.465 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.216 15.914 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.826 16.979 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.794 18.078 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.239 16.737 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.369 15.951 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.716 16.031 -1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.118 17.791 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.655 18.745 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.860 18.803 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.422 17.930 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.900 17.108 0.886 1.00 0.00 H new ATOM 1099 N LYS A 67 4.824 13.686 -4.187 1.00 0.00 N ATOM 1100 CA LYS A 67 4.402 12.928 -5.397 1.00 0.00 C ATOM 1101 C LYS A 67 3.102 12.178 -5.108 1.00 0.00 C ATOM 1102 O LYS A 67 2.088 12.403 -5.741 1.00 0.00 O ATOM 1103 CB LYS A 67 5.541 11.945 -5.669 1.00 0.00 C ATOM 1104 CG LYS A 67 5.803 11.870 -7.174 1.00 0.00 C ATOM 1105 CD LYS A 67 6.705 13.032 -7.593 1.00 0.00 C ATOM 1106 CE LYS A 67 8.170 12.598 -7.505 1.00 0.00 C ATOM 1107 NZ LYS A 67 8.914 13.833 -7.129 1.00 0.00 N ATOM 0 H LYS A 67 5.814 13.612 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 67 4.217 13.577 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.443 12.265 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.283 10.958 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.275 10.920 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.861 11.912 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.467 13.343 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.530 13.893 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.305 11.813 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.522 12.199 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.927 13.702 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.555 14.637 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.780 14.024 -6.115 1.00 0.00 H new ATOM 1121 N LYS A 68 3.122 11.289 -4.152 1.00 0.00 N ATOM 1122 CA LYS A 68 1.889 10.531 -3.820 1.00 0.00 C ATOM 1123 C LYS A 68 0.701 11.489 -3.723 1.00 0.00 C ATOM 1124 O LYS A 68 -0.330 11.270 -4.317 1.00 0.00 O ATOM 1125 CB LYS A 68 2.178 9.881 -2.466 1.00 0.00 C ATOM 1126 CG LYS A 68 2.412 8.381 -2.659 1.00 0.00 C ATOM 1127 CD LYS A 68 3.819 8.018 -2.184 1.00 0.00 C ATOM 1128 CE LYS A 68 4.645 7.511 -3.368 1.00 0.00 C ATOM 1129 NZ LYS A 68 5.425 6.363 -2.830 1.00 0.00 N ATOM 0 H LYS A 68 3.940 11.057 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 68 1.636 9.788 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.055 10.341 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.342 10.045 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.670 7.812 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.292 8.116 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.300 8.889 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.766 7.252 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.003 7.200 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.303 8.290 -3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.017 5.962 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.032 6.690 -2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.772 5.634 -2.478 1.00 0.00 H new ATOM 1143 N GLU A 69 0.839 12.551 -2.979 1.00 0.00 N ATOM 1144 CA GLU A 69 -0.286 13.523 -2.843 1.00 0.00 C ATOM 1145 C GLU A 69 -0.992 13.737 -4.188 1.00 0.00 C ATOM 1146 O GLU A 69 -2.204 13.772 -4.263 1.00 0.00 O ATOM 1147 CB GLU A 69 0.372 14.823 -2.378 1.00 0.00 C ATOM 1148 CG GLU A 69 -0.709 15.823 -1.962 1.00 0.00 C ATOM 1149 CD GLU A 69 -0.054 17.152 -1.579 1.00 0.00 C ATOM 1150 OE1 GLU A 69 0.323 17.885 -2.478 1.00 0.00 O ATOM 1151 OE2 GLU A 69 0.058 17.414 -0.393 1.00 0.00 O ATOM 0 H GLU A 69 1.683 12.790 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.045 13.168 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.041 14.625 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.981 15.242 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.413 15.975 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.278 15.430 -1.120 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.247 13.893 -5.249 1.00 0.00 N ATOM 1159 CA GLU A 70 -0.887 14.118 -6.583 1.00 0.00 C ATOM 1160 C GLU A 70 -1.527 12.832 -7.120 1.00 0.00 C ATOM 1161 O GLU A 70 -2.731 12.753 -7.300 1.00 0.00 O ATOM 1162 CB GLU A 70 0.255 14.567 -7.496 1.00 0.00 C ATOM 1163 CG GLU A 70 0.658 15.998 -7.139 1.00 0.00 C ATOM 1164 CD GLU A 70 0.551 16.884 -8.381 1.00 0.00 C ATOM 1165 OE1 GLU A 70 0.659 16.355 -9.475 1.00 0.00 O ATOM 1166 OE2 GLU A 70 0.361 18.078 -8.217 1.00 0.00 O ATOM 0 H GLU A 70 0.773 13.875 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.689 14.854 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.109 13.899 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.057 14.515 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.013 16.382 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.678 16.015 -6.754 1.00 0.00 H new ATOM 1173 N MET A 71 -0.737 11.827 -7.390 1.00 0.00 N ATOM 1174 CA MET A 71 -1.308 10.557 -7.925 1.00 0.00 C ATOM 1175 C MET A 71 -2.434 10.068 -7.015 1.00 0.00 C ATOM 1176 O MET A 71 -3.471 9.627 -7.470 1.00 0.00 O ATOM 1177 CB MET A 71 -0.145 9.565 -7.921 1.00 0.00 C ATOM 1178 CG MET A 71 0.998 10.109 -8.779 1.00 0.00 C ATOM 1179 SD MET A 71 1.251 9.026 -10.207 1.00 0.00 S ATOM 1180 CE MET A 71 2.570 9.985 -10.991 1.00 0.00 C ATOM 0 H MET A 71 0.275 11.830 -7.264 1.00 0.00 H new ATOM 0 HA MET A 71 -1.732 10.679 -8.922 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.200 9.399 -6.901 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.475 8.601 -8.307 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.766 11.120 -9.113 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.912 10.170 -8.189 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.884 9.489 -11.909 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.203 10.984 -11.226 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.418 10.061 -10.311 1.00 0.00 H new ATOM 1190 N LEU A 72 -2.241 10.157 -5.730 1.00 0.00 N ATOM 1191 CA LEU A 72 -3.298 9.712 -4.783 1.00 0.00 C ATOM 1192 C LEU A 72 -4.494 10.654 -4.873 1.00 0.00 C ATOM 1193 O LEU A 72 -5.595 10.297 -4.524 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.656 9.742 -3.398 1.00 0.00 C ATOM 1195 CG LEU A 72 -1.838 8.460 -3.210 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -0.423 8.809 -2.751 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -2.507 7.567 -2.162 1.00 0.00 C ATOM 0 H LEU A 72 -1.394 10.520 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.668 8.712 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.015 10.618 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.423 9.818 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.789 7.929 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.153 7.893 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.059 9.436 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.470 9.347 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.921 6.657 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.564 8.100 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.512 7.307 -2.494 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.294 11.853 -5.348 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.444 12.791 -5.477 1.00 0.00 C ATOM 1211 C LYS A 73 -6.421 12.234 -6.519 1.00 0.00 C ATOM 1212 O LYS A 73 -7.509 11.791 -6.199 1.00 0.00 O ATOM 1213 CB LYS A 73 -4.837 14.112 -5.952 1.00 0.00 C ATOM 1214 CG LYS A 73 -5.877 15.227 -5.812 1.00 0.00 C ATOM 1215 CD LYS A 73 -5.262 16.558 -6.248 1.00 0.00 C ATOM 1216 CE LYS A 73 -6.250 17.692 -5.966 1.00 0.00 C ATOM 1217 NZ LYS A 73 -6.037 18.671 -7.067 1.00 0.00 N ATOM 0 H LYS A 73 -3.392 12.221 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.993 12.924 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.951 14.350 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.517 14.026 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.752 15.001 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.218 15.293 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.329 16.733 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.019 16.528 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.277 17.327 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.063 18.146 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.680 19.479 -6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.053 19.006 -7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.229 18.213 -7.981 1.00 0.00 H new ATOM 1231 N LYS A 74 -6.036 12.219 -7.765 1.00 0.00 N ATOM 1232 CA LYS A 74 -6.951 11.654 -8.800 1.00 0.00 C ATOM 1233 C LYS A 74 -7.468 10.303 -8.296 1.00 0.00 C ATOM 1234 O LYS A 74 -8.651 9.996 -8.357 1.00 0.00 O ATOM 1235 CB LYS A 74 -6.084 11.477 -10.048 1.00 0.00 C ATOM 1236 CG LYS A 74 -5.656 12.848 -10.574 1.00 0.00 C ATOM 1237 CD LYS A 74 -6.682 13.351 -11.591 1.00 0.00 C ATOM 1238 CE LYS A 74 -6.219 12.992 -13.005 1.00 0.00 C ATOM 1239 NZ LYS A 74 -6.448 14.225 -13.808 1.00 0.00 N ATOM 0 H LYS A 74 -5.141 12.568 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.813 12.287 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.206 10.877 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.640 10.939 -10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.571 13.555 -9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.672 12.780 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.656 12.904 -11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.801 14.431 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.168 12.703 -13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.785 12.150 -13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.154 14.058 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.458 14.471 -13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.892 15.008 -13.409 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.582 9.506 -7.767 1.00 0.00 N ATOM 1254 CA PHE A 75 -6.999 8.191 -7.223 1.00 0.00 C ATOM 1255 C PHE A 75 -7.898 8.423 -6.013 1.00 0.00 C ATOM 1256 O PHE A 75 -8.758 7.628 -5.698 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.700 7.501 -6.807 1.00 0.00 C ATOM 1258 CG PHE A 75 -5.329 6.464 -7.839 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -6.320 5.646 -8.398 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -3.996 6.319 -8.241 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -5.977 4.686 -9.357 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -3.653 5.359 -9.200 1.00 0.00 C ATOM 1263 CZ PHE A 75 -4.644 4.542 -9.757 1.00 0.00 C ATOM 0 H PHE A 75 -5.586 9.712 -7.689 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.555 7.588 -7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.900 8.235 -6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.822 7.031 -5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.349 5.756 -8.089 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.231 6.949 -7.811 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.741 4.056 -9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.624 5.249 -9.510 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.379 3.800 -10.496 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.712 9.522 -5.336 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.567 9.813 -4.158 1.00 0.00 C ATOM 1275 C ARG A 76 -10.010 9.565 -4.555 1.00 0.00 C ATOM 1276 O ARG A 76 -10.741 8.865 -3.891 1.00 0.00 O ATOM 1277 CB ARG A 76 -8.344 11.295 -3.843 1.00 0.00 C ATOM 1278 CG ARG A 76 -8.984 11.636 -2.498 1.00 0.00 C ATOM 1279 CD ARG A 76 -9.492 13.079 -2.534 1.00 0.00 C ATOM 1280 NE ARG A 76 -10.934 12.969 -2.892 1.00 0.00 N ATOM 1281 CZ ARG A 76 -11.530 13.956 -3.500 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -10.982 15.139 -3.516 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -12.677 13.761 -4.092 1.00 0.00 N ATOM 0 H ARG A 76 -7.007 10.227 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.333 9.193 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.277 11.514 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.776 11.913 -4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.808 10.953 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.258 11.513 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.361 13.568 -1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.947 13.672 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.454 12.122 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.086 15.292 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.449 15.911 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.107 12.836 -4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.143 14.533 -4.568 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.418 10.121 -5.657 1.00 0.00 N ATOM 1298 CA ASN A 77 -11.815 9.907 -6.120 1.00 0.00 C ATOM 1299 C ASN A 77 -12.027 8.436 -6.495 1.00 0.00 C ATOM 1300 O ASN A 77 -12.828 7.739 -5.898 1.00 0.00 O ATOM 1301 CB ASN A 77 -11.969 10.797 -7.355 1.00 0.00 C ATOM 1302 CG ASN A 77 -11.350 12.171 -7.085 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -11.216 12.585 -5.855 1.00 0.00 O flip ATOM 1304 ND2 ASN A 77 -10.983 12.876 -8.005 1.00 0.00 N flip ATOM 0 H ASN A 77 -9.846 10.714 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.545 10.151 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.483 10.332 -8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.024 10.906 -7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.087 12.554 -8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.571 13.790 -7.815 1.00 0.00 H new ATOM 1311 N ALA A 78 -11.322 7.959 -7.487 1.00 0.00 N ATOM 1312 CA ALA A 78 -11.502 6.533 -7.909 1.00 0.00 C ATOM 1313 C ALA A 78 -10.908 5.565 -6.879 1.00 0.00 C ATOM 1314 O ALA A 78 -11.614 4.793 -6.250 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.750 6.421 -9.234 1.00 0.00 C ATOM 0 H ALA A 78 -10.633 8.488 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.556 6.272 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.832 5.403 -9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.181 7.114 -9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.700 6.667 -9.078 1.00 0.00 H new ATOM 1321 N MET A 79 -9.615 5.587 -6.719 1.00 0.00 N ATOM 1322 CA MET A 79 -8.961 4.662 -5.750 1.00 0.00 C ATOM 1323 C MET A 79 -9.786 4.533 -4.468 1.00 0.00 C ATOM 1324 O MET A 79 -10.163 3.446 -4.082 1.00 0.00 O ATOM 1325 CB MET A 79 -7.603 5.292 -5.452 1.00 0.00 C ATOM 1326 CG MET A 79 -6.515 4.221 -5.557 1.00 0.00 C ATOM 1327 SD MET A 79 -5.282 4.475 -4.257 1.00 0.00 S ATOM 1328 CE MET A 79 -4.022 3.358 -4.920 1.00 0.00 C ATOM 0 H MET A 79 -8.979 6.208 -7.219 1.00 0.00 H new ATOM 0 HA MET A 79 -8.867 3.655 -6.157 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.402 6.101 -6.155 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.603 5.730 -4.454 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.957 3.229 -5.463 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.039 4.267 -6.537 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.153 3.358 -4.262 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.428 2.349 -4.984 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.725 3.693 -5.914 1.00 0.00 H new ATOM 1338 N LEU A 80 -10.069 5.615 -3.795 1.00 0.00 N ATOM 1339 CA LEU A 80 -10.864 5.491 -2.540 1.00 0.00 C ATOM 1340 C LEU A 80 -12.142 4.708 -2.815 1.00 0.00 C ATOM 1341 O LEU A 80 -12.513 3.837 -2.055 1.00 0.00 O ATOM 1342 CB LEU A 80 -11.182 6.914 -2.101 1.00 0.00 C ATOM 1343 CG LEU A 80 -9.875 7.650 -1.811 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -10.184 8.994 -1.151 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -9.019 6.807 -0.863 1.00 0.00 C ATOM 0 H LEU A 80 -9.791 6.562 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.319 4.957 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.741 7.432 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.812 6.902 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.336 7.816 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.252 9.520 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.799 9.595 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.721 8.826 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.085 7.329 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.560 6.645 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.801 5.846 -1.328 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.815 4.990 -3.902 1.00 0.00 N ATOM 1358 CA LYS A 81 -14.058 4.227 -4.209 1.00 0.00 C ATOM 1359 C LYS A 81 -13.822 2.746 -3.898 1.00 0.00 C ATOM 1360 O LYS A 81 -14.428 2.181 -3.006 1.00 0.00 O ATOM 1361 CB LYS A 81 -14.301 4.438 -5.706 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.765 4.814 -5.936 1.00 0.00 C ATOM 1363 CD LYS A 81 -15.859 6.290 -6.330 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.535 7.164 -5.115 1.00 0.00 C ATOM 1365 NZ LYS A 81 -15.709 8.564 -5.592 1.00 0.00 N ATOM 0 H LYS A 81 -12.560 5.707 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.915 4.555 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.648 5.225 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.057 3.530 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.193 4.190 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.345 4.631 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.165 6.506 -7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.860 6.516 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.202 6.945 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.518 6.990 -4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.057 9.156 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.796 8.933 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.396 8.582 -6.373 1.00 0.00 H new ATOM 1379 N SER A 82 -12.918 2.124 -4.605 1.00 0.00 N ATOM 1380 CA SER A 82 -12.621 0.688 -4.327 1.00 0.00 C ATOM 1381 C SER A 82 -11.725 0.576 -3.087 1.00 0.00 C ATOM 1382 O SER A 82 -12.073 -0.056 -2.107 1.00 0.00 O ATOM 1383 CB SER A 82 -11.889 0.186 -5.571 1.00 0.00 C ATOM 1384 OG SER A 82 -12.216 -1.180 -5.788 1.00 0.00 O ATOM 0 H SER A 82 -12.375 2.544 -5.359 1.00 0.00 H new ATOM 0 HA SER A 82 -13.520 0.105 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.172 0.782 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.812 0.299 -5.444 1.00 0.00 H new ATOM 0 HG SER A 82 -11.749 -1.505 -6.586 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.574 1.193 -3.124 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.650 1.137 -1.953 1.00 0.00 C ATOM 1392 C ILE A 83 -10.422 1.415 -0.662 1.00 0.00 C ATOM 1393 O ILE A 83 -10.577 0.549 0.176 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.614 2.236 -2.204 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.852 1.939 -3.499 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -7.627 2.286 -1.037 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -7.241 0.539 -3.421 1.00 0.00 C ATOM 0 H ILE A 83 -10.233 1.735 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.183 0.158 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.123 3.196 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.525 2.007 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.069 2.681 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.890 3.069 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.166 2.500 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.121 1.325 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.699 0.327 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.555 0.488 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.034 -0.197 -3.289 1.00 0.00 H new ATOM 1409 N CYS A 84 -10.914 2.615 -0.493 1.00 0.00 N ATOM 1410 CA CYS A 84 -11.677 2.930 0.749 1.00 0.00 C ATOM 1411 C CYS A 84 -12.648 1.790 1.051 1.00 0.00 C ATOM 1412 O CYS A 84 -12.769 1.353 2.178 1.00 0.00 O ATOM 1413 CB CYS A 84 -12.435 4.223 0.451 1.00 0.00 C ATOM 1414 SG CYS A 84 -12.763 5.100 2.001 1.00 0.00 S ATOM 0 H CYS A 84 -10.821 3.384 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 84 -11.028 3.046 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -11.851 4.853 -0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.372 3.999 -0.058 1.00 0.00 H new ATOM 0 HG CYS A 84 -13.406 6.201 1.749 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.331 1.292 0.053 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.274 0.167 0.302 1.00 0.00 C ATOM 1422 C GLU A 85 -13.592 -0.867 1.200 1.00 0.00 C ATOM 1423 O GLU A 85 -14.217 -1.492 2.034 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.569 -0.423 -1.079 1.00 0.00 C ATOM 1425 CG GLU A 85 -16.079 -0.605 -1.245 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.356 -1.887 -2.033 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -15.404 -2.485 -2.507 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -17.515 -2.250 -2.148 1.00 0.00 O ATOM 0 H GLU A 85 -13.276 1.613 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.190 0.483 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.184 0.236 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.062 -1.381 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.559 -0.655 -0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.504 0.253 -1.765 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.305 -1.037 1.042 1.00 0.00 N ATOM 1436 CA VAL A 86 -11.568 -2.016 1.894 1.00 0.00 C ATOM 1437 C VAL A 86 -10.208 -1.442 2.297 1.00 0.00 C ATOM 1438 O VAL A 86 -9.175 -2.028 2.043 1.00 0.00 O ATOM 1439 CB VAL A 86 -11.384 -3.259 1.021 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -11.031 -4.456 1.904 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -12.682 -3.552 0.263 1.00 0.00 C ATOM 0 H VAL A 86 -11.733 -0.540 0.360 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.107 -2.245 2.813 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.579 -3.082 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.900 -5.341 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.106 -4.251 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.835 -4.631 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -12.549 -4.438 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.488 -3.727 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.935 -2.700 -0.369 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.203 -0.297 2.922 1.00 0.00 N ATOM 1452 CA LEU A 87 -8.911 0.317 3.341 1.00 0.00 C ATOM 1453 C LEU A 87 -9.045 0.908 4.744 1.00 0.00 C ATOM 1454 O LEU A 87 -8.517 1.963 5.038 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.651 1.420 2.315 1.00 0.00 C ATOM 1456 CG LEU A 87 -7.242 1.984 2.510 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.240 1.147 1.713 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -7.199 3.432 2.017 1.00 0.00 C ATOM 0 H LEU A 87 -11.037 0.240 3.161 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.096 -0.406 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.758 1.023 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.390 2.214 2.425 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.983 1.951 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.237 1.550 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.269 0.115 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.500 1.179 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.195 3.834 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.460 3.464 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.911 4.031 2.584 1.00 0.00 H new ATOM 1470 N ASP A 88 -9.752 0.240 5.613 1.00 0.00 N ATOM 1471 CA ASP A 88 -9.923 0.766 6.996 1.00 0.00 C ATOM 1472 C ASP A 88 -10.741 2.059 6.967 1.00 0.00 C ATOM 1473 O ASP A 88 -10.497 2.977 7.725 1.00 0.00 O ATOM 1474 CB ASP A 88 -8.504 1.036 7.497 1.00 0.00 C ATOM 1475 CG ASP A 88 -8.485 0.982 9.026 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -9.553 0.892 9.610 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -7.403 1.030 9.588 1.00 0.00 O ATOM 0 H ASP A 88 -10.219 -0.647 5.425 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.454 0.068 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.815 0.297 7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.165 2.013 7.153 1.00 0.00 H new ATOM 1482 N LEU A 89 -11.710 2.139 6.095 1.00 0.00 N ATOM 1483 CA LEU A 89 -12.543 3.375 6.019 1.00 0.00 C ATOM 1484 C LEU A 89 -13.994 3.014 5.688 1.00 0.00 C ATOM 1485 O LEU A 89 -14.309 1.878 5.390 1.00 0.00 O ATOM 1486 CB LEU A 89 -11.925 4.202 4.890 1.00 0.00 C ATOM 1487 CG LEU A 89 -10.637 4.862 5.385 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -9.839 5.385 4.189 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -10.985 6.029 6.312 1.00 0.00 C ATOM 0 H LEU A 89 -11.961 1.404 5.433 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.558 3.921 6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.712 3.564 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.630 4.963 4.555 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.041 4.130 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.921 5.855 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.590 4.556 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.436 6.117 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.067 6.499 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.582 6.761 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.554 5.659 7.165 1.00 0.00 H new ATOM 1501 N GLU A 90 -14.880 3.971 5.736 1.00 0.00 N ATOM 1502 CA GLU A 90 -16.308 3.680 5.424 1.00 0.00 C ATOM 1503 C GLU A 90 -16.845 4.697 4.414 1.00 0.00 C ATOM 1504 O GLU A 90 -18.036 4.896 4.290 1.00 0.00 O ATOM 1505 CB GLU A 90 -17.039 3.812 6.760 1.00 0.00 C ATOM 1506 CG GLU A 90 -18.334 2.997 6.715 1.00 0.00 C ATOM 1507 CD GLU A 90 -18.024 1.529 7.012 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -16.861 1.217 7.208 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -18.955 0.742 7.038 1.00 0.00 O ATOM 0 H GLU A 90 -14.677 4.941 5.978 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.443 2.693 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -16.403 3.459 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -17.263 4.859 6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.045 3.384 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -18.801 3.090 5.734 1.00 0.00 H new ATOM 1516 N ARG A 91 -15.971 5.341 3.689 1.00 0.00 N ATOM 1517 CA ARG A 91 -16.426 6.346 2.686 1.00 0.00 C ATOM 1518 C ARG A 91 -17.063 7.548 3.388 1.00 0.00 C ATOM 1519 O ARG A 91 -18.256 7.587 3.615 1.00 0.00 O ATOM 1520 CB ARG A 91 -17.457 5.613 1.828 1.00 0.00 C ATOM 1521 CG ARG A 91 -17.043 5.689 0.357 1.00 0.00 C ATOM 1522 CD ARG A 91 -17.568 4.458 -0.386 1.00 0.00 C ATOM 1523 NE ARG A 91 -17.986 4.969 -1.721 1.00 0.00 N ATOM 1524 CZ ARG A 91 -18.932 4.362 -2.384 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -18.640 3.358 -3.165 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -20.169 4.757 -2.264 1.00 0.00 N ATOM 0 H ARG A 91 -14.961 5.214 3.748 1.00 0.00 H new ATOM 0 HA ARG A 91 -15.601 6.733 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -17.533 4.572 2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -18.442 6.060 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -17.440 6.597 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -15.957 5.740 0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -16.797 3.693 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -18.405 4.004 0.144 1.00 0.00 H new ATOM 0 HE ARG A 91 -17.533 5.793 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -17.673 3.048 -3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -19.379 2.883 -3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -20.397 5.540 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -20.908 4.283 -2.782 1.00 0.00 H new ATOM 1540 N SER A 92 -16.275 8.530 3.733 1.00 0.00 N ATOM 1541 CA SER A 92 -16.832 9.731 4.419 1.00 0.00 C ATOM 1542 C SER A 92 -15.811 10.872 4.391 1.00 0.00 C ATOM 1543 O SER A 92 -14.709 10.718 3.903 1.00 0.00 O ATOM 1544 CB SER A 92 -17.097 9.282 5.855 1.00 0.00 C ATOM 1545 OG SER A 92 -17.949 10.226 6.491 1.00 0.00 O ATOM 0 H SER A 92 -15.268 8.552 3.569 1.00 0.00 H new ATOM 0 HA SER A 92 -17.737 10.101 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 92 -17.560 8.295 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.158 9.196 6.401 1.00 0.00 H new ATOM 0 HG SER A 92 -18.123 9.941 7.412 1.00 0.00 H new ATOM 1551 N GLY A 93 -16.169 12.014 4.907 1.00 0.00 N ATOM 1552 CA GLY A 93 -15.218 13.162 4.906 1.00 0.00 C ATOM 1553 C GLY A 93 -15.323 13.904 3.573 1.00 0.00 C ATOM 1554 O GLY A 93 -15.995 13.467 2.660 1.00 0.00 O ATOM 0 H GLY A 93 -17.078 12.203 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.445 13.838 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.199 12.805 5.058 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.669 15.026 3.454 1.00 0.00 N ATOM 1559 CA VAL A 94 -14.737 15.794 2.178 1.00 0.00 C ATOM 1560 C VAL A 94 -13.492 15.523 1.327 1.00 0.00 C ATOM 1561 O VAL A 94 -12.577 14.841 1.744 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.792 17.262 2.600 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -13.446 17.675 3.198 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -15.096 18.132 1.379 1.00 0.00 C ATOM 0 H VAL A 94 -14.091 15.444 4.183 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.599 15.513 1.573 1.00 0.00 H new ATOM 0 HB VAL A 94 -15.575 17.395 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.487 18.722 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.229 17.056 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.661 17.542 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.135 19.179 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -14.313 17.998 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -16.056 17.840 0.954 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.454 16.051 0.134 1.00 0.00 N ATOM 1575 CA ASN A 95 -12.273 15.826 -0.750 1.00 0.00 C ATOM 1576 C ASN A 95 -10.972 16.108 0.008 1.00 0.00 C ATOM 1577 O ASN A 95 -10.087 15.277 0.071 1.00 0.00 O ATOM 1578 CB ASN A 95 -12.441 16.815 -1.908 1.00 0.00 C ATOM 1579 CG ASN A 95 -12.929 18.163 -1.376 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -12.143 18.973 -0.927 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -14.203 18.440 -1.406 1.00 0.00 N ATOM 0 H ASN A 95 -14.191 16.630 -0.268 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.219 14.795 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.492 16.942 -2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -13.153 16.421 -2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.539 19.336 -1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -14.864 17.761 -1.783 1.00 0.00 H new ATOM 1588 N SER A 96 -10.846 17.274 0.578 1.00 0.00 N ATOM 1589 CA SER A 96 -9.598 17.610 1.325 1.00 0.00 C ATOM 1590 C SER A 96 -9.302 16.546 2.386 1.00 0.00 C ATOM 1591 O SER A 96 -8.161 16.218 2.646 1.00 0.00 O ATOM 1592 CB SER A 96 -9.883 18.958 1.984 1.00 0.00 C ATOM 1593 OG SER A 96 -8.768 19.818 1.793 1.00 0.00 O ATOM 0 H SER A 96 -11.552 18.010 0.560 1.00 0.00 H new ATOM 0 HA SER A 96 -8.727 17.649 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.779 19.404 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.074 18.822 3.048 1.00 0.00 H new ATOM 0 HG SER A 96 -8.948 20.685 2.213 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.316 16.005 3.005 1.00 0.00 N ATOM 1600 CA GLU A 97 -10.081 14.969 4.052 1.00 0.00 C ATOM 1601 C GLU A 97 -9.693 13.637 3.406 1.00 0.00 C ATOM 1602 O GLU A 97 -8.996 12.832 3.993 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.413 14.839 4.789 1.00 0.00 C ATOM 1604 CG GLU A 97 -11.156 14.813 6.296 1.00 0.00 C ATOM 1605 CD GLU A 97 -11.403 13.402 6.834 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -12.527 13.124 7.217 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -10.461 12.626 6.856 1.00 0.00 O ATOM 0 H GLU A 97 -11.295 16.235 2.832 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.268 15.242 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.066 15.674 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.925 13.928 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.131 15.119 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.810 15.525 6.799 1.00 0.00 H new ATOM 1614 N LEU A 98 -10.136 13.397 2.204 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.788 12.116 1.526 1.00 0.00 C ATOM 1616 C LEU A 98 -8.305 12.112 1.155 1.00 0.00 C ATOM 1617 O LEU A 98 -7.550 11.256 1.574 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.660 12.081 0.270 1.00 0.00 C ATOM 1619 CG LEU A 98 -12.114 11.813 0.662 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -12.939 11.544 -0.596 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -12.175 10.590 1.580 1.00 0.00 C ATOM 0 H LEU A 98 -10.723 14.031 1.662 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.961 11.247 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.585 13.029 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.307 11.305 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.517 12.682 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.975 11.353 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.894 12.412 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.537 10.674 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.210 10.397 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.773 9.722 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.585 10.779 2.477 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.876 13.070 0.379 1.00 0.00 N ATOM 1634 CA VAL A 99 -6.439 13.122 -0.003 1.00 0.00 C ATOM 1635 C VAL A 99 -5.585 13.222 1.262 1.00 0.00 C ATOM 1636 O VAL A 99 -4.664 12.457 1.465 1.00 0.00 O ATOM 1637 CB VAL A 99 -6.299 14.380 -0.862 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.832 14.815 -0.904 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.774 14.076 -2.285 1.00 0.00 C ATOM 0 H VAL A 99 -8.457 13.815 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.111 12.236 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.903 15.179 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.736 15.711 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.487 15.028 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.228 14.016 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.676 14.970 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.167 13.276 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.818 13.765 -2.261 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.895 14.151 2.125 1.00 0.00 N ATOM 1650 CA LYS A 100 -5.110 14.283 3.382 1.00 0.00 C ATOM 1651 C LYS A 100 -4.980 12.911 4.047 1.00 0.00 C ATOM 1652 O LYS A 100 -4.031 12.637 4.754 1.00 0.00 O ATOM 1653 CB LYS A 100 -5.923 15.234 4.263 1.00 0.00 C ATOM 1654 CG LYS A 100 -5.072 15.685 5.451 1.00 0.00 C ATOM 1655 CD LYS A 100 -5.943 15.757 6.708 1.00 0.00 C ATOM 1656 CE LYS A 100 -5.046 15.867 7.944 1.00 0.00 C ATOM 1657 NZ LYS A 100 -5.987 15.958 9.095 1.00 0.00 N ATOM 0 H LYS A 100 -6.656 14.821 2.013 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.102 14.660 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.243 16.099 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.825 14.736 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.248 14.988 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.630 16.660 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.611 16.617 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.572 14.869 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.392 15.000 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.404 16.746 7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.446 16.036 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.592 16.797 8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.581 15.105 9.126 1.00 0.00 H new ATOM 1671 N ARG A 101 -5.932 12.046 3.820 1.00 0.00 N ATOM 1672 CA ARG A 101 -5.873 10.688 4.431 1.00 0.00 C ATOM 1673 C ARG A 101 -4.811 9.836 3.731 1.00 0.00 C ATOM 1674 O ARG A 101 -4.179 8.996 4.339 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.265 10.093 4.216 1.00 0.00 C ATOM 1676 CG ARG A 101 -7.661 9.265 5.442 1.00 0.00 C ATOM 1677 CD ARG A 101 -8.051 10.200 6.588 1.00 0.00 C ATOM 1678 NE ARG A 101 -7.520 9.544 7.814 1.00 0.00 N ATOM 1679 CZ ARG A 101 -8.331 9.208 8.780 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -9.323 9.992 9.101 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -8.150 8.088 9.423 1.00 0.00 N ATOM 0 H ARG A 101 -6.750 12.223 3.236 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.605 10.724 5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.991 10.889 4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.271 9.467 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.495 8.608 5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.831 8.627 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.620 11.192 6.453 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.132 10.327 6.644 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.521 9.357 7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.465 10.867 8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.957 9.730 9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.375 7.475 9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.784 7.825 10.178 1.00 0.00 H new ATOM 1695 N ILE A 102 -4.605 10.045 2.459 1.00 0.00 N ATOM 1696 CA ILE A 102 -3.577 9.238 1.738 1.00 0.00 C ATOM 1697 C ILE A 102 -2.180 9.626 2.226 1.00 0.00 C ATOM 1698 O ILE A 102 -1.276 8.814 2.265 1.00 0.00 O ATOM 1699 CB ILE A 102 -3.749 9.553 0.243 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -3.030 10.859 -0.115 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -5.237 9.682 -0.095 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.620 10.540 -0.619 1.00 0.00 C ATOM 0 H ILE A 102 -5.099 10.733 1.891 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.697 8.170 1.920 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.313 8.738 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.589 11.397 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.978 11.510 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.351 9.905 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.745 8.746 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.676 10.487 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.106 11.467 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.064 10.020 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.684 9.906 -1.503 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.002 10.860 2.615 1.00 0.00 N ATOM 1715 CA LEU A 103 -0.670 11.300 3.114 1.00 0.00 C ATOM 1716 C LEU A 103 -0.495 10.841 4.560 1.00 0.00 C ATOM 1717 O LEU A 103 0.606 10.662 5.041 1.00 0.00 O ATOM 1718 CB LEU A 103 -0.698 12.828 3.030 1.00 0.00 C ATOM 1719 CG LEU A 103 -1.017 13.252 1.593 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -2.126 14.305 1.602 1.00 0.00 C ATOM 1721 CD2 LEU A 103 0.238 13.842 0.944 1.00 0.00 C ATOM 0 H LEU A 103 -2.723 11.582 2.608 1.00 0.00 H new ATOM 0 HA LEU A 103 0.156 10.884 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.447 13.227 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.264 13.238 3.337 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.347 12.382 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.351 14.605 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.021 13.887 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.797 15.175 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.011 14.144 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.568 14.710 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.029 13.092 0.934 1.00 0.00 H new ATOM 1733 N ASN A 104 -1.583 10.644 5.253 1.00 0.00 N ATOM 1734 CA ASN A 104 -1.501 10.187 6.666 1.00 0.00 C ATOM 1735 C ASN A 104 -1.746 8.679 6.736 1.00 0.00 C ATOM 1736 O ASN A 104 -1.495 8.046 7.740 1.00 0.00 O ATOM 1737 CB ASN A 104 -2.608 10.949 7.395 1.00 0.00 C ATOM 1738 CG ASN A 104 -2.147 12.382 7.670 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -1.717 12.695 8.762 1.00 0.00 O ATOM 1740 ND2 ASN A 104 -2.220 13.272 6.718 1.00 0.00 N ATOM 0 H ASN A 104 -2.529 10.781 4.898 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.524 10.375 7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.516 10.957 6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.852 10.448 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.916 14.230 6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.581 13.009 5.801 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.237 8.098 5.673 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.496 6.630 5.679 1.00 0.00 C ATOM 1749 C PHE A 105 -1.580 5.926 4.673 1.00 0.00 C ATOM 1750 O PHE A 105 -0.696 5.180 5.045 1.00 0.00 O ATOM 1751 CB PHE A 105 -3.960 6.476 5.268 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.501 5.182 5.827 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -3.762 4.000 5.696 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -5.737 5.165 6.484 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.260 2.802 6.222 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.236 3.967 7.008 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.497 2.785 6.877 1.00 0.00 C ATOM 0 H PHE A 105 -2.469 8.577 4.803 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.301 6.185 6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.544 7.318 5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.047 6.481 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.808 4.012 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.306 6.077 6.587 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.689 1.890 6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.191 3.954 7.513 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.881 1.860 7.281 1.00 0.00 H new ATOM 1767 N LEU A 106 -1.778 6.156 3.404 1.00 0.00 N ATOM 1768 CA LEU A 106 -0.909 5.496 2.387 1.00 0.00 C ATOM 1769 C LEU A 106 0.551 5.874 2.639 1.00 0.00 C ATOM 1770 O LEU A 106 1.464 5.232 2.157 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.394 6.034 1.041 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.623 5.241 0.593 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -2.197 3.835 0.167 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -3.618 5.141 1.752 1.00 0.00 C ATOM 0 H LEU A 106 -2.501 6.770 3.028 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.966 4.408 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.641 7.092 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.602 5.951 0.297 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.094 5.749 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.073 3.270 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.489 3.904 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.725 3.327 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.493 4.576 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.146 4.634 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.924 6.142 2.057 1.00 0.00 H new ATOM 1786 N MET A 107 0.773 6.904 3.405 1.00 0.00 N ATOM 1787 CA MET A 107 2.169 7.324 3.713 1.00 0.00 C ATOM 1788 C MET A 107 2.495 6.991 5.173 1.00 0.00 C ATOM 1789 O MET A 107 3.610 7.157 5.626 1.00 0.00 O ATOM 1790 CB MET A 107 2.187 8.836 3.486 1.00 0.00 C ATOM 1791 CG MET A 107 2.824 9.144 2.131 1.00 0.00 C ATOM 1792 SD MET A 107 1.530 9.533 0.929 1.00 0.00 S ATOM 1793 CE MET A 107 2.119 11.186 0.486 1.00 0.00 C ATOM 0 H MET A 107 0.045 7.476 3.833 1.00 0.00 H new ATOM 0 HA MET A 107 2.908 6.816 3.093 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.172 9.231 3.520 1.00 0.00 H new ATOM 0 HB3 MET A 107 2.747 9.327 4.282 1.00 0.00 H new ATOM 0 HG2 MET A 107 3.513 9.984 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.407 8.289 1.789 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.530 11.571 -0.346 1.00 0.00 H new ATOM 0 HE2 MET A 107 2.015 11.851 1.343 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.168 11.132 0.193 1.00 0.00 H new ATOM 1803 N HIS A 108 1.523 6.520 5.911 1.00 0.00 N ATOM 1804 CA HIS A 108 1.759 6.170 7.341 1.00 0.00 C ATOM 1805 C HIS A 108 0.453 5.686 7.977 1.00 0.00 C ATOM 1806 O HIS A 108 -0.182 6.409 8.717 1.00 0.00 O ATOM 1807 CB HIS A 108 2.236 7.464 7.999 1.00 0.00 C ATOM 1808 CG HIS A 108 3.606 7.251 8.581 1.00 0.00 C ATOM 1809 ND1 HIS A 108 4.726 6.630 8.085 1.00 0.00 N flip ATOM 1810 CD2 HIS A 108 3.952 7.705 9.843 1.00 0.00 C flip ATOM 1811 CE1 HIS A 108 5.753 6.698 9.022 1.00 0.00 C flip ATOM 1812 NE2 HIS A 108 5.233 7.356 10.063 1.00 0.00 N flip ATOM 0 H HIS A 108 0.571 6.362 5.581 1.00 0.00 H new ATOM 0 HA HIS A 108 2.490 5.370 7.459 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.261 8.270 7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 108 1.539 7.766 8.781 1.00 0.00 H new ATOM 0 HD1 HIS A 108 4.795 6.186 7.169 1.00 0.00 H new ATOM 0 HD2 HIS A 108 3.310 8.242 10.526 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.754 6.304 8.928 1.00 0.00 H new ATOM 1820 N PRO A 109 0.095 4.472 7.659 1.00 0.00 N ATOM 1821 CA PRO A 109 -1.156 3.880 8.193 1.00 0.00 C ATOM 1822 C PRO A 109 -1.014 3.587 9.689 1.00 0.00 C ATOM 1823 O PRO A 109 -1.253 4.441 10.521 1.00 0.00 O ATOM 1824 CB PRO A 109 -1.313 2.591 7.389 1.00 0.00 C ATOM 1825 CG PRO A 109 0.072 2.242 6.947 1.00 0.00 C ATOM 1826 CD PRO A 109 0.817 3.541 6.784 1.00 0.00 C ATOM 0 HA PRO A 109 -2.019 4.539 8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.746 1.796 7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.975 2.736 6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.563 1.604 7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.050 1.688 6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 109 1.861 3.443 7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.810 3.879 5.748 1.00 0.00 H new ATOM 1834 N LYS A 110 -0.628 2.392 10.043 1.00 0.00 N ATOM 1835 CA LYS A 110 -0.475 2.059 11.490 1.00 0.00 C ATOM 1836 C LYS A 110 -1.832 2.123 12.196 1.00 0.00 C ATOM 1837 O LYS A 110 -2.119 1.223 12.967 1.00 0.00 O ATOM 1838 CB LYS A 110 0.468 3.130 12.044 1.00 0.00 C ATOM 1839 CG LYS A 110 1.776 2.476 12.490 1.00 0.00 C ATOM 1840 CD LYS A 110 2.945 3.416 12.184 1.00 0.00 C ATOM 1841 CE LYS A 110 3.196 3.443 10.675 1.00 0.00 C ATOM 1842 NZ LYS A 110 4.323 4.400 10.490 1.00 0.00 N ATOM 0 H LYS A 110 -0.412 1.633 9.396 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.086 1.052 11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.667 3.884 11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.000 3.642 12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.741 2.257 13.557 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.915 1.526 11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.722 4.420 12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.841 3.081 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.453 2.453 10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.308 3.769 10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.532 4.499 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.059 5.327 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.166 4.043 10.984 1.00 0.00 H new