USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1119 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 91 TYR OH : rot 180:sc= 0.00799 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -152:sc= 0.765 (180deg=-0.441) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= 0.636 F(o=-0.53,f=1.4) USER MOD Set 2.2: A 74 TYR OH : rot -101:sc= 0.774 USER MOD Set 3.1: A 46 ASN : amide:sc= -9.88! C(o=-11!,f=-16!) USER MOD Set 3.2: A 49 HIS :FLIP no HD1:sc= -0.816 F(o=-18!,f=-11) USER MOD Set 4.1: A 32 THR OG1 : rot 91:sc= 1.34 USER MOD Set 4.2: A 33 HIS : no HD1:sc= 1.68 K(o=3,f=-9.4!) USER MOD Set 5.1: A 18 HIS : no HD1:sc= -0.594! C(o=0.63!,f=-9.9!) USER MOD Set 5.2: A 105 TYR OH : rot -162:sc= 1.22 USER MOD Set 5.3: A 119 HIS : no HD1:sc= 0 X(o=0.63,f=0.63) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.368 F(o=-2!,f=-0.37) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 36 MET CE :methyl 159:sc= -2.12 (180deg=-4.59!) USER MOD Single : A 44 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-2.4) USER MOD Single : A 45 SER OG : rot 76:sc= 0.0132 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0.917 K(o=0.92,f=-6.5!) USER MOD Single : A 59 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.029) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 3:sc= 0.00551 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= 0.398 (180deg=-0.00601) USER MOD Single : A 79 SER OG : rot 118:sc= 0.787 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.36 K(o=-1.4,f=-8.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.17) USER MOD Single : A 118 ASN : amide:sc= 0.558 K(o=0.56,f=-5.4!) USER MOD Single : A 122 CYS SG : rot -36:sc= 0.216 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.71) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0019 USER MOD Single : A 137 LYS NZ :NH3+ -178:sc= -1.36 (180deg=-1.4) USER MOD Single : A 140 LYS NZ :NH3+ 175:sc= -0.217 (180deg=-0.402) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 22.945 2.841 8.418 1.00 0.00 N ATOM 100 CA ALA A 9 21.621 2.369 8.107 1.00 0.00 C ATOM 101 C ALA A 9 20.979 3.285 7.079 1.00 0.00 C ATOM 102 O ALA A 9 20.895 4.496 7.286 1.00 0.00 O ATOM 103 CB ALA A 9 20.782 2.300 9.371 1.00 0.00 C ATOM 0 HA ALA A 9 21.684 1.366 7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.782 1.942 9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.248 1.616 10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.713 3.293 9.816 1.00 0.00 H new ATOM 109 N VAL A 10 20.558 2.717 5.959 1.00 0.00 N ATOM 110 CA VAL A 10 19.867 3.484 4.941 1.00 0.00 C ATOM 111 C VAL A 10 18.378 3.253 5.094 1.00 0.00 C ATOM 112 O VAL A 10 17.910 2.115 5.061 1.00 0.00 O ATOM 113 CB VAL A 10 20.312 3.109 3.510 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.677 4.044 2.493 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.828 3.127 3.379 1.00 0.00 C ATOM 0 H VAL A 10 20.684 1.730 5.735 1.00 0.00 H new ATOM 0 HA VAL A 10 20.116 4.536 5.081 1.00 0.00 H new ATOM 0 HB VAL A 10 19.972 2.093 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 10 20.001 3.765 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.592 3.968 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.982 5.069 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.108 2.859 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.201 4.125 3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.262 2.410 4.076 1.00 0.00 H new ATOM 125 N GLN A 11 17.642 4.329 5.307 1.00 0.00 N ATOM 126 CA GLN A 11 16.227 4.223 5.596 1.00 0.00 C ATOM 127 C GLN A 11 15.406 4.666 4.405 1.00 0.00 C ATOM 128 O GLN A 11 15.673 5.711 3.805 1.00 0.00 O ATOM 129 CB GLN A 11 15.856 5.062 6.823 1.00 0.00 C ATOM 130 CG GLN A 11 16.889 5.000 7.936 1.00 0.00 C ATOM 131 CD GLN A 11 17.723 6.265 8.030 1.00 0.00 C ATOM 132 OE1 GLN A 11 17.142 7.397 7.659 1.00 0.00 O flip ATOM 133 NE2 GLN A 11 18.886 6.226 8.433 1.00 0.00 N flip ATOM 0 H GLN A 11 18.001 5.283 5.285 1.00 0.00 H new ATOM 0 HA GLN A 11 16.007 3.177 5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.725 6.100 6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.896 4.720 7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.383 4.831 8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.547 4.147 7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 11 19.300 5.336 8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 11 19.435 7.084 8.490 1.00 0.00 H new ATOM 142 N VAL A 12 14.420 3.864 4.061 1.00 0.00 N ATOM 143 CA VAL A 12 13.533 4.170 2.968 1.00 0.00 C ATOM 144 C VAL A 12 12.132 4.431 3.504 1.00 0.00 C ATOM 145 O VAL A 12 11.723 3.826 4.500 1.00 0.00 O ATOM 146 CB VAL A 12 13.504 3.013 1.955 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.855 2.857 1.269 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.130 1.727 2.644 1.00 0.00 C ATOM 0 H VAL A 12 14.214 2.984 4.533 1.00 0.00 H new ATOM 0 HA VAL A 12 13.897 5.063 2.459 1.00 0.00 H new ATOM 0 HB VAL A 12 12.756 3.245 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.809 2.033 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.104 3.778 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.621 2.649 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.113 0.916 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.863 1.503 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.143 1.830 3.096 1.00 0.00 H new ATOM 158 N LYS A 13 11.408 5.347 2.881 1.00 0.00 N ATOM 159 CA LYS A 13 10.064 5.655 3.320 1.00 0.00 C ATOM 160 C LYS A 13 9.034 5.267 2.278 1.00 0.00 C ATOM 161 O LYS A 13 9.113 5.670 1.118 1.00 0.00 O ATOM 162 CB LYS A 13 9.940 7.131 3.684 1.00 0.00 C ATOM 163 CG LYS A 13 10.498 7.433 5.057 1.00 0.00 C ATOM 164 CD LYS A 13 10.319 8.894 5.433 1.00 0.00 C ATOM 165 CE LYS A 13 10.881 9.179 6.815 1.00 0.00 C ATOM 166 NZ LYS A 13 10.729 10.606 7.192 1.00 0.00 N ATOM 0 H LYS A 13 11.729 5.885 2.076 1.00 0.00 H new ATOM 0 HA LYS A 13 9.865 5.063 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.465 7.731 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.891 7.425 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.002 6.804 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.558 7.179 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.818 9.525 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.260 9.151 5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.373 8.554 7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.936 8.907 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.125 10.758 8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.235 11.202 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.720 10.859 7.193 1.00 0.00 H new ATOM 180 N LEU A 14 8.080 4.468 2.714 1.00 0.00 N ATOM 181 CA LEU A 14 6.957 4.078 1.882 1.00 0.00 C ATOM 182 C LEU A 14 5.682 4.629 2.489 1.00 0.00 C ATOM 183 O LEU A 14 5.557 4.717 3.699 1.00 0.00 O ATOM 184 CB LEU A 14 6.867 2.564 1.758 1.00 0.00 C ATOM 185 CG LEU A 14 8.079 1.889 1.118 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.911 0.389 1.161 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.261 2.350 -0.320 1.00 0.00 C ATOM 0 H LEU A 14 8.061 4.071 3.653 1.00 0.00 H new ATOM 0 HA LEU A 14 7.099 4.485 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.720 2.142 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.982 2.316 1.172 1.00 0.00 H new ATOM 0 HG LEU A 14 8.968 2.170 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.778 -0.087 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.822 0.062 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.011 0.108 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.130 1.855 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.373 2.096 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.411 3.430 -0.340 1.00 0.00 H new ATOM 199 N GLU A 15 4.742 4.989 1.658 1.00 0.00 N ATOM 200 CA GLU A 15 3.570 5.709 2.105 1.00 0.00 C ATOM 201 C GLU A 15 2.300 4.914 1.830 1.00 0.00 C ATOM 202 O GLU A 15 2.033 4.534 0.691 1.00 0.00 O ATOM 203 CB GLU A 15 3.546 7.069 1.400 1.00 0.00 C ATOM 204 CG GLU A 15 2.467 8.023 1.873 1.00 0.00 C ATOM 205 CD GLU A 15 2.726 9.441 1.410 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.414 9.763 0.243 1.00 0.00 O ATOM 207 OE2 GLU A 15 3.261 10.241 2.209 1.00 0.00 O ATOM 0 H GLU A 15 4.762 4.795 0.657 1.00 0.00 H new ATOM 0 HA GLU A 15 3.614 5.859 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.516 7.547 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.419 6.903 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.499 7.690 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.414 8.000 2.961 1.00 0.00 H new ATOM 214 N LEU A 16 1.539 4.647 2.889 1.00 0.00 N ATOM 215 CA LEU A 16 0.243 3.991 2.755 1.00 0.00 C ATOM 216 C LEU A 16 -0.827 5.050 2.698 1.00 0.00 C ATOM 217 O LEU A 16 -0.763 6.045 3.421 1.00 0.00 O ATOM 218 CB LEU A 16 -0.098 3.059 3.926 1.00 0.00 C ATOM 219 CG LEU A 16 0.687 1.755 4.044 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.627 0.971 2.752 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.123 2.015 4.440 1.00 0.00 C ATOM 0 H LEU A 16 1.798 4.875 3.849 1.00 0.00 H new ATOM 0 HA LEU A 16 0.292 3.386 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.039 3.618 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.157 2.809 3.859 1.00 0.00 H new ATOM 0 HG LEU A 16 0.223 1.159 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.194 0.046 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.411 0.735 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.055 1.566 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.657 1.068 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.601 2.641 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.148 2.524 5.404 1.00 0.00 H new ATOM 233 N GLY A 17 -1.807 4.832 1.865 1.00 0.00 N ATOM 234 CA GLY A 17 -2.876 5.781 1.736 1.00 0.00 C ATOM 235 C GLY A 17 -4.146 5.133 1.283 1.00 0.00 C ATOM 236 O GLY A 17 -4.142 3.969 0.884 1.00 0.00 O ATOM 0 H GLY A 17 -1.887 4.009 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.042 6.274 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.590 6.556 1.025 1.00 0.00 H new ATOM 240 N HIS A 18 -5.231 5.877 1.362 1.00 0.00 N ATOM 241 CA HIS A 18 -6.502 5.424 0.842 1.00 0.00 C ATOM 242 C HIS A 18 -7.537 6.532 0.968 1.00 0.00 C ATOM 243 O HIS A 18 -7.550 7.284 1.946 1.00 0.00 O ATOM 244 CB HIS A 18 -6.963 4.126 1.552 1.00 0.00 C ATOM 245 CG HIS A 18 -8.147 4.272 2.459 1.00 0.00 C ATOM 246 ND1 HIS A 18 -8.065 4.815 3.722 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.449 3.954 2.270 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.265 4.828 4.268 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.119 4.310 3.409 1.00 0.00 N ATOM 0 H HIS A 18 -5.256 6.805 1.785 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.386 5.185 -0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.199 3.381 0.792 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.128 3.734 2.133 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.878 3.504 1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.507 5.200 5.253 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.120 4.193 3.568 1.00 0.00 H new ATOM 258 N ARG A 19 -8.381 6.632 -0.035 1.00 0.00 N ATOM 259 CA ARG A 19 -9.499 7.549 -0.015 1.00 0.00 C ATOM 260 C ARG A 19 -10.772 6.748 -0.174 1.00 0.00 C ATOM 261 O ARG A 19 -10.746 5.670 -0.762 1.00 0.00 O ATOM 262 CB ARG A 19 -9.406 8.569 -1.148 1.00 0.00 C ATOM 263 CG ARG A 19 -8.144 9.413 -1.153 1.00 0.00 C ATOM 264 CD ARG A 19 -8.114 10.308 -2.379 1.00 0.00 C ATOM 265 NE ARG A 19 -9.017 11.448 -2.243 1.00 0.00 N ATOM 266 CZ ARG A 19 -10.129 11.627 -2.954 1.00 0.00 C ATOM 267 NH1 ARG A 19 -10.539 10.705 -3.816 1.00 0.00 N ATOM 268 NH2 ARG A 19 -10.845 12.727 -2.780 1.00 0.00 N ATOM 0 H ARG A 19 -8.311 6.079 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.491 8.093 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.475 8.040 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.268 9.233 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.101 10.021 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.266 8.767 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.098 10.667 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.392 9.728 -3.259 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.778 12.160 -1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.001 9.847 -3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.392 10.854 -4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.544 13.430 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.698 12.871 -3.321 1.00 0.00 H new ATOM 282 N ALA A 20 -11.869 7.246 0.359 1.00 0.00 N ATOM 283 CA ALA A 20 -13.149 6.575 0.199 1.00 0.00 C ATOM 284 C ALA A 20 -14.246 7.560 -0.168 1.00 0.00 C ATOM 285 O ALA A 20 -14.318 8.662 0.384 1.00 0.00 O ATOM 286 CB ALA A 20 -13.520 5.821 1.457 1.00 0.00 C ATOM 0 H ALA A 20 -11.904 8.107 0.904 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.047 5.861 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.481 5.327 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.756 5.074 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.591 6.518 2.292 1.00 0.00 H new ATOM 292 N GLN A 21 -15.083 7.162 -1.114 1.00 0.00 N ATOM 293 CA GLN A 21 -16.235 7.948 -1.515 1.00 0.00 C ATOM 294 C GLN A 21 -17.461 7.049 -1.567 1.00 0.00 C ATOM 295 O GLN A 21 -17.380 5.898 -1.994 1.00 0.00 O ATOM 296 CB GLN A 21 -16.002 8.594 -2.887 1.00 0.00 C ATOM 297 CG GLN A 21 -15.840 7.600 -4.023 1.00 0.00 C ATOM 298 CD GLN A 21 -16.334 8.134 -5.350 1.00 0.00 C ATOM 299 OE1 GLN A 21 -15.583 8.752 -6.108 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.603 7.896 -5.642 1.00 0.00 N ATOM 0 H GLN A 21 -14.981 6.285 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.391 8.743 -0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.840 9.253 -3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.110 9.218 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.788 7.330 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.383 6.687 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.189 7.380 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -17.994 8.228 -6.523 1.00 0.00 H new ATOM 309 N VAL A 22 -18.582 7.550 -1.103 1.00 0.00 N ATOM 310 CA VAL A 22 -19.813 6.787 -1.153 1.00 0.00 C ATOM 311 C VAL A 22 -20.715 7.295 -2.271 1.00 0.00 C ATOM 312 O VAL A 22 -20.840 8.501 -2.485 1.00 0.00 O ATOM 313 CB VAL A 22 -20.551 6.815 0.204 1.00 0.00 C ATOM 314 CG1 VAL A 22 -20.743 8.238 0.687 1.00 0.00 C ATOM 315 CG2 VAL A 22 -21.891 6.092 0.123 1.00 0.00 C ATOM 0 H VAL A 22 -18.670 8.478 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.553 5.750 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 22 -19.928 6.288 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.265 8.230 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -19.771 8.716 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -21.332 8.794 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -22.384 6.130 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.521 6.576 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -21.727 5.052 -0.160 1.00 0.00 H new ATOM 325 N ARG A 23 -21.305 6.366 -2.997 1.00 0.00 N ATOM 326 CA ARG A 23 -22.276 6.688 -4.026 1.00 0.00 C ATOM 327 C ARG A 23 -23.653 6.265 -3.545 1.00 0.00 C ATOM 328 O ARG A 23 -23.820 5.163 -3.022 1.00 0.00 O ATOM 329 CB ARG A 23 -21.917 5.983 -5.339 1.00 0.00 C ATOM 330 CG ARG A 23 -21.245 4.635 -5.128 1.00 0.00 C ATOM 331 CD ARG A 23 -21.643 3.622 -6.186 1.00 0.00 C ATOM 332 NE ARG A 23 -21.286 4.051 -7.533 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.578 3.308 -8.381 1.00 0.00 C ATOM 334 NH1 ARG A 23 -20.081 2.140 -7.994 1.00 0.00 N ATOM 335 NH2 ARG A 23 -20.338 3.753 -9.605 1.00 0.00 N ATOM 0 H ARG A 23 -21.126 5.368 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 23 -22.272 7.761 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.823 5.842 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.255 6.625 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.163 4.765 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.508 4.250 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.159 2.669 -5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.719 3.452 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.596 4.972 -7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -20.241 1.808 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.539 1.575 -8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.695 4.663 -9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.796 3.186 -10.257 1.00 0.00 H new ATOM 349 N LYS A 24 -24.631 7.148 -3.698 1.00 0.00 N ATOM 350 CA LYS A 24 -25.977 6.890 -3.198 1.00 0.00 C ATOM 351 C LYS A 24 -26.657 5.794 -4.015 1.00 0.00 C ATOM 352 O LYS A 24 -27.694 5.255 -3.619 1.00 0.00 O ATOM 353 CB LYS A 24 -26.810 8.183 -3.227 1.00 0.00 C ATOM 354 CG LYS A 24 -28.183 8.075 -2.571 1.00 0.00 C ATOM 355 CD LYS A 24 -28.135 8.385 -1.082 1.00 0.00 C ATOM 356 CE LYS A 24 -29.469 8.106 -0.414 1.00 0.00 C ATOM 357 NZ LYS A 24 -29.373 8.245 1.062 1.00 0.00 N ATOM 0 H LYS A 24 -24.519 8.049 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.903 6.545 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -26.247 8.973 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.942 8.490 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -28.873 8.762 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -28.576 7.069 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -27.357 7.785 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -27.865 9.431 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -30.222 8.795 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -29.801 7.099 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -30.300 8.048 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -28.672 7.570 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -29.080 9.214 1.301 1.00 0.00 H new ATOM 371 N LYS A 25 -26.061 5.460 -5.145 1.00 0.00 N ATOM 372 CA LYS A 25 -26.583 4.411 -5.999 1.00 0.00 C ATOM 373 C LYS A 25 -25.518 3.334 -6.202 1.00 0.00 C ATOM 374 O LYS A 25 -24.566 3.525 -6.960 1.00 0.00 O ATOM 375 CB LYS A 25 -27.047 5.004 -7.339 1.00 0.00 C ATOM 376 CG LYS A 25 -27.764 4.017 -8.246 1.00 0.00 C ATOM 377 CD LYS A 25 -26.820 3.353 -9.226 1.00 0.00 C ATOM 378 CE LYS A 25 -27.515 2.222 -9.951 1.00 0.00 C ATOM 379 NZ LYS A 25 -26.603 1.518 -10.888 1.00 0.00 N ATOM 0 H LYS A 25 -25.211 5.903 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.447 3.948 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.711 5.845 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -26.180 5.401 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -28.250 3.254 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -28.550 4.535 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.460 4.087 -9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.947 2.971 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -27.906 1.511 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -28.369 2.616 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -27.119 0.751 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -26.249 2.190 -11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -25.801 1.120 -10.359 1.00 0.00 H new ATOM 393 N PRO A 26 -25.652 2.205 -5.484 1.00 0.00 N ATOM 394 CA PRO A 26 -24.725 1.072 -5.587 1.00 0.00 C ATOM 395 C PRO A 26 -24.675 0.481 -6.989 1.00 0.00 C ATOM 396 O PRO A 26 -25.580 0.682 -7.802 1.00 0.00 O ATOM 397 CB PRO A 26 -25.294 0.038 -4.606 1.00 0.00 C ATOM 398 CG PRO A 26 -26.170 0.811 -3.687 1.00 0.00 C ATOM 399 CD PRO A 26 -26.716 1.951 -4.497 1.00 0.00 C ATOM 0 HA PRO A 26 -23.703 1.378 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -25.858 -0.734 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.497 -0.466 -4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -26.975 0.187 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.608 1.177 -2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.657 1.687 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.909 2.828 -3.879 1.00 0.00 H new ATOM 407 N THR A 27 -23.618 -0.265 -7.262 1.00 0.00 N ATOM 408 CA THR A 27 -23.464 -0.926 -8.547 1.00 0.00 C ATOM 409 C THR A 27 -24.379 -2.149 -8.612 1.00 0.00 C ATOM 410 O THR A 27 -25.088 -2.442 -7.648 1.00 0.00 O ATOM 411 CB THR A 27 -21.988 -1.338 -8.796 1.00 0.00 C ATOM 412 OG1 THR A 27 -21.836 -1.985 -10.066 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.481 -2.257 -7.699 1.00 0.00 C ATOM 0 H THR A 27 -22.852 -0.428 -6.609 1.00 0.00 H new ATOM 0 HA THR A 27 -23.747 -0.224 -9.331 1.00 0.00 H new ATOM 0 HB THR A 27 -21.397 -0.422 -8.792 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.897 -2.232 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.445 -2.528 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.541 -1.745 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.093 -3.159 -7.668 1.00 0.00 H new ATOM 421 N VAL A 28 -24.362 -2.844 -9.738 1.00 0.00 N ATOM 422 CA VAL A 28 -25.174 -4.042 -9.945 1.00 0.00 C ATOM 423 C VAL A 28 -25.097 -5.013 -8.760 1.00 0.00 C ATOM 424 O VAL A 28 -26.113 -5.535 -8.303 1.00 0.00 O ATOM 425 CB VAL A 28 -24.751 -4.758 -11.243 1.00 0.00 C ATOM 426 CG1 VAL A 28 -23.236 -4.884 -11.326 1.00 0.00 C ATOM 427 CG2 VAL A 28 -25.408 -6.126 -11.352 1.00 0.00 C ATOM 0 H VAL A 28 -23.783 -2.595 -10.540 1.00 0.00 H new ATOM 0 HA VAL A 28 -26.210 -3.715 -10.030 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.090 -4.151 -12.083 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -22.963 -5.393 -12.251 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -22.787 -3.891 -11.312 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -22.872 -5.459 -10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -25.092 -6.609 -12.277 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.111 -6.741 -10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -26.492 -6.010 -11.355 1.00 0.00 H new ATOM 437 N GLU A 29 -23.893 -5.220 -8.242 1.00 0.00 N ATOM 438 CA GLU A 29 -23.675 -6.185 -7.171 1.00 0.00 C ATOM 439 C GLU A 29 -23.887 -5.556 -5.792 1.00 0.00 C ATOM 440 O GLU A 29 -23.661 -6.196 -4.763 1.00 0.00 O ATOM 441 CB GLU A 29 -22.273 -6.763 -7.292 1.00 0.00 C ATOM 442 CG GLU A 29 -22.014 -7.415 -8.645 1.00 0.00 C ATOM 443 CD GLU A 29 -20.612 -7.963 -8.770 1.00 0.00 C ATOM 444 OE1 GLU A 29 -20.356 -9.081 -8.269 1.00 0.00 O ATOM 445 OE2 GLU A 29 -19.760 -7.279 -9.380 1.00 0.00 O ATOM 0 H GLU A 29 -23.051 -4.732 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.407 -6.986 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -21.543 -5.969 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.120 -7.500 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.730 -8.223 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.185 -6.684 -9.435 1.00 0.00 H new ATOM 452 N GLY A 30 -24.309 -4.299 -5.781 1.00 0.00 N ATOM 453 CA GLY A 30 -24.690 -3.647 -4.544 1.00 0.00 C ATOM 454 C GLY A 30 -23.513 -3.134 -3.749 1.00 0.00 C ATOM 455 O GLY A 30 -23.544 -3.125 -2.519 1.00 0.00 O ATOM 0 H GLY A 30 -24.395 -3.716 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.356 -2.815 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.255 -4.349 -3.931 1.00 0.00 H new ATOM 459 N PHE A 31 -22.474 -2.707 -4.442 1.00 0.00 N ATOM 460 CA PHE A 31 -21.335 -2.096 -3.786 1.00 0.00 C ATOM 461 C PHE A 31 -21.577 -0.590 -3.693 1.00 0.00 C ATOM 462 O PHE A 31 -21.857 0.065 -4.702 1.00 0.00 O ATOM 463 CB PHE A 31 -20.032 -2.389 -4.540 1.00 0.00 C ATOM 464 CG PHE A 31 -19.817 -3.841 -4.913 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.345 -4.873 -4.152 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.070 -4.168 -6.033 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.133 -6.193 -4.503 1.00 0.00 C ATOM 468 CE2 PHE A 31 -18.856 -5.484 -6.386 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.388 -6.497 -5.622 1.00 0.00 C ATOM 0 H PHE A 31 -22.396 -2.772 -5.457 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.228 -2.518 -2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.015 -1.790 -5.450 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.194 -2.060 -3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -20.929 -4.642 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -18.649 -3.380 -6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.551 -6.986 -3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.271 -5.719 -7.263 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.222 -7.528 -5.898 1.00 0.00 H new ATOM 479 N THR A 32 -21.497 -0.061 -2.483 1.00 0.00 N ATOM 480 CA THR A 32 -21.914 1.311 -2.202 1.00 0.00 C ATOM 481 C THR A 32 -20.734 2.280 -2.040 1.00 0.00 C ATOM 482 O THR A 32 -20.862 3.482 -2.280 1.00 0.00 O ATOM 483 CB THR A 32 -22.750 1.357 -0.912 1.00 0.00 C ATOM 484 OG1 THR A 32 -21.964 0.907 0.205 1.00 0.00 O ATOM 485 CG2 THR A 32 -23.982 0.501 -1.037 1.00 0.00 C ATOM 0 H THR A 32 -21.144 -0.564 -1.669 1.00 0.00 H new ATOM 0 HA THR A 32 -22.499 1.630 -3.065 1.00 0.00 H new ATOM 0 HB THR A 32 -23.058 2.390 -0.748 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.517 1.674 0.620 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.555 0.551 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.594 0.863 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.690 -0.532 -1.227 1.00 0.00 H new ATOM 493 N HIS A 33 -19.597 1.757 -1.616 1.00 0.00 N ATOM 494 CA HIS A 33 -18.453 2.586 -1.252 1.00 0.00 C ATOM 495 C HIS A 33 -17.262 2.324 -2.168 1.00 0.00 C ATOM 496 O HIS A 33 -16.752 1.211 -2.221 1.00 0.00 O ATOM 497 CB HIS A 33 -18.054 2.295 0.195 1.00 0.00 C ATOM 498 CG HIS A 33 -18.899 2.989 1.216 1.00 0.00 C ATOM 499 ND1 HIS A 33 -20.144 2.544 1.615 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.653 4.102 1.941 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.620 3.357 2.542 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.734 4.308 2.753 1.00 0.00 N ATOM 0 H HIS A 33 -19.437 0.755 -1.514 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.743 3.631 -1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.108 1.220 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -17.014 2.589 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.766 4.716 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.573 3.258 3.041 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.837 5.076 3.416 1.00 0.00 H new ATOM 511 N ASP A 34 -16.813 3.359 -2.859 1.00 0.00 N ATOM 512 CA ASP A 34 -15.657 3.257 -3.746 1.00 0.00 C ATOM 513 C ASP A 34 -14.438 3.818 -3.044 1.00 0.00 C ATOM 514 O ASP A 34 -14.485 4.921 -2.498 1.00 0.00 O ATOM 515 CB ASP A 34 -15.879 4.041 -5.046 1.00 0.00 C ATOM 516 CG ASP A 34 -16.866 3.391 -5.996 1.00 0.00 C ATOM 517 OD1 ASP A 34 -18.030 3.167 -5.607 1.00 0.00 O ATOM 518 OD2 ASP A 34 -16.477 3.115 -7.154 1.00 0.00 O ATOM 0 H ASP A 34 -17.233 4.288 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.512 2.205 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.233 5.042 -4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.923 4.158 -5.556 1.00 0.00 H new ATOM 523 N TRP A 35 -13.350 3.079 -3.047 1.00 0.00 N ATOM 524 CA TRP A 35 -12.142 3.552 -2.415 1.00 0.00 C ATOM 525 C TRP A 35 -10.930 3.372 -3.320 1.00 0.00 C ATOM 526 O TRP A 35 -10.993 2.704 -4.355 1.00 0.00 O ATOM 527 CB TRP A 35 -11.921 2.878 -1.052 1.00 0.00 C ATOM 528 CG TRP A 35 -11.977 1.374 -1.048 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.013 0.585 -0.621 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.930 0.479 -1.444 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.670 -0.745 -0.735 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.398 -0.833 -1.237 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.644 0.661 -1.957 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.617 -1.954 -1.519 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.873 -0.451 -2.231 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.360 -1.740 -2.011 1.00 0.00 C ATOM 0 H TRP A 35 -13.278 2.157 -3.476 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.266 4.621 -2.240 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.949 3.188 -0.668 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.672 3.253 -0.357 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -13.959 0.951 -0.250 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.266 -1.535 -0.486 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.259 1.654 -2.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.992 -2.954 -1.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.875 -0.321 -2.623 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.729 -2.588 -2.235 1.00 0.00 H new ATOM 547 N MET A 36 -9.843 4.009 -2.923 1.00 0.00 N ATOM 548 CA MET A 36 -8.571 3.919 -3.621 1.00 0.00 C ATOM 549 C MET A 36 -7.438 3.867 -2.609 1.00 0.00 C ATOM 550 O MET A 36 -7.394 4.683 -1.697 1.00 0.00 O ATOM 551 CB MET A 36 -8.367 5.122 -4.544 1.00 0.00 C ATOM 552 CG MET A 36 -6.941 5.257 -5.052 1.00 0.00 C ATOM 553 SD MET A 36 -6.646 6.830 -5.856 1.00 0.00 S ATOM 554 CE MET A 36 -6.887 7.888 -4.443 1.00 0.00 C ATOM 0 H MET A 36 -9.817 4.610 -2.099 1.00 0.00 H new ATOM 0 HA MET A 36 -8.575 3.012 -4.226 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.042 5.036 -5.396 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.642 6.031 -4.010 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.249 5.144 -4.217 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.730 4.449 -5.753 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.399 8.847 -4.619 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.954 8.047 -4.285 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.455 7.418 -3.559 1.00 0.00 H new ATOM 564 N VAL A 37 -6.536 2.915 -2.768 1.00 0.00 N ATOM 565 CA VAL A 37 -5.403 2.771 -1.856 1.00 0.00 C ATOM 566 C VAL A 37 -4.111 3.267 -2.477 1.00 0.00 C ATOM 567 O VAL A 37 -3.934 3.197 -3.689 1.00 0.00 O ATOM 568 CB VAL A 37 -5.204 1.318 -1.409 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.954 1.052 -0.133 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.661 0.365 -2.492 1.00 0.00 C ATOM 0 H VAL A 37 -6.562 2.226 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.645 3.383 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.141 1.157 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.801 0.016 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.588 1.716 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.017 1.231 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.513 -0.662 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.718 0.530 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.081 0.540 -3.399 1.00 0.00 H new ATOM 580 N PHE A 38 -3.218 3.731 -1.614 1.00 0.00 N ATOM 581 CA PHE A 38 -1.943 4.326 -2.001 1.00 0.00 C ATOM 582 C PHE A 38 -0.769 3.545 -1.427 1.00 0.00 C ATOM 583 O PHE A 38 -0.736 3.268 -0.228 1.00 0.00 O ATOM 584 CB PHE A 38 -1.847 5.754 -1.448 1.00 0.00 C ATOM 585 CG PHE A 38 -2.233 6.859 -2.385 1.00 0.00 C ATOM 586 CD1 PHE A 38 -1.279 7.419 -3.213 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.525 7.361 -2.413 1.00 0.00 C ATOM 588 CE1 PHE A 38 -1.600 8.459 -4.062 1.00 0.00 C ATOM 589 CE2 PHE A 38 -3.854 8.399 -3.262 1.00 0.00 C ATOM 590 CZ PHE A 38 -2.895 8.950 -4.089 1.00 0.00 C ATOM 0 H PHE A 38 -3.361 3.705 -0.604 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.900 4.315 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.479 5.821 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.821 5.926 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.269 7.038 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.279 6.937 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.844 8.888 -4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.864 8.781 -3.279 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.154 9.761 -4.754 1.00 0.00 H new ATOM 600 N VAL A 39 0.171 3.174 -2.285 1.00 0.00 N ATOM 601 CA VAL A 39 1.499 2.774 -1.850 1.00 0.00 C ATOM 602 C VAL A 39 2.552 3.423 -2.749 1.00 0.00 C ATOM 603 O VAL A 39 2.571 3.206 -3.958 1.00 0.00 O ATOM 604 CB VAL A 39 1.669 1.242 -1.819 1.00 0.00 C ATOM 605 CG1 VAL A 39 0.927 0.663 -0.636 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.174 0.604 -3.099 1.00 0.00 C ATOM 0 H VAL A 39 0.035 3.142 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 39 1.635 3.121 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 39 2.733 1.025 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.053 -0.420 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.325 1.086 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.133 0.904 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.309 -0.476 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.116 0.831 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.740 0.997 -3.944 1.00 0.00 H new ATOM 616 N ARG A 40 3.397 4.258 -2.161 1.00 0.00 N ATOM 617 CA ARG A 40 4.392 5.019 -2.920 1.00 0.00 C ATOM 618 C ARG A 40 5.441 5.574 -1.971 1.00 0.00 C ATOM 619 O ARG A 40 5.445 5.243 -0.795 1.00 0.00 O ATOM 620 CB ARG A 40 3.749 6.194 -3.673 1.00 0.00 C ATOM 621 CG ARG A 40 3.273 7.308 -2.745 1.00 0.00 C ATOM 622 CD ARG A 40 3.235 8.658 -3.445 1.00 0.00 C ATOM 623 NE ARG A 40 3.181 9.762 -2.488 1.00 0.00 N ATOM 624 CZ ARG A 40 3.333 11.039 -2.826 1.00 0.00 C ATOM 625 NH1 ARG A 40 3.345 11.390 -4.106 1.00 0.00 N ATOM 626 NH2 ARG A 40 3.434 11.968 -1.885 1.00 0.00 N ATOM 0 H ARG A 40 3.417 4.429 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 40 4.844 4.342 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.470 6.602 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.903 5.827 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.279 7.067 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.934 7.367 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.117 8.766 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.366 8.703 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 40 3.018 9.540 -1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.238 10.680 -4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.462 12.370 -4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.395 11.703 -0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.551 12.947 -2.146 1.00 0.00 H new ATOM 640 N GLY A 41 6.342 6.390 -2.493 1.00 0.00 N ATOM 641 CA GLY A 41 7.278 7.092 -1.644 1.00 0.00 C ATOM 642 C GLY A 41 6.920 8.558 -1.521 1.00 0.00 C ATOM 643 O GLY A 41 6.492 9.169 -2.503 1.00 0.00 O ATOM 0 H GLY A 41 6.442 6.579 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.288 6.634 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.284 6.995 -2.051 1.00 0.00 H new ATOM 647 N PRO A 42 7.061 9.138 -0.318 1.00 0.00 N ATOM 648 CA PRO A 42 6.719 10.541 -0.050 1.00 0.00 C ATOM 649 C PRO A 42 7.435 11.538 -0.947 1.00 0.00 C ATOM 650 O PRO A 42 8.310 11.173 -1.737 1.00 0.00 O ATOM 651 CB PRO A 42 7.139 10.753 1.408 1.00 0.00 C ATOM 652 CG PRO A 42 7.173 9.391 2.005 1.00 0.00 C ATOM 653 CD PRO A 42 7.543 8.454 0.894 1.00 0.00 C ATOM 0 HA PRO A 42 5.661 10.715 -0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.115 11.235 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.432 11.395 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.900 9.340 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.204 9.128 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.619 8.284 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.070 7.480 1.018 1.00 0.00 H new ATOM 661 N GLU A 43 7.045 12.800 -0.789 1.00 0.00 N ATOM 662 CA GLU A 43 7.522 13.902 -1.614 1.00 0.00 C ATOM 663 C GLU A 43 8.999 13.775 -1.976 1.00 0.00 C ATOM 664 O GLU A 43 9.844 13.498 -1.123 1.00 0.00 O ATOM 665 CB GLU A 43 7.270 15.226 -0.901 1.00 0.00 C ATOM 666 CG GLU A 43 5.797 15.499 -0.647 1.00 0.00 C ATOM 667 CD GLU A 43 4.984 15.535 -1.925 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.940 16.600 -2.576 1.00 0.00 O ATOM 669 OE2 GLU A 43 4.384 14.501 -2.289 1.00 0.00 O ATOM 0 H GLU A 43 6.378 13.088 -0.073 1.00 0.00 H new ATOM 0 HA GLU A 43 6.964 13.868 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.802 15.226 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.685 16.038 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.397 14.729 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.692 16.451 -0.127 1.00 0.00 H new ATOM 676 N HIS A 44 9.253 13.904 -3.274 1.00 0.00 N ATOM 677 CA HIS A 44 10.601 13.962 -3.875 1.00 0.00 C ATOM 678 C HIS A 44 11.372 12.644 -3.749 1.00 0.00 C ATOM 679 O HIS A 44 12.478 12.532 -4.273 1.00 0.00 O ATOM 680 CB HIS A 44 11.453 15.154 -3.321 1.00 0.00 C ATOM 681 CG HIS A 44 12.161 14.919 -2.005 1.00 0.00 C ATOM 682 ND1 HIS A 44 13.240 14.068 -1.858 1.00 0.00 N ATOM 683 CD2 HIS A 44 11.943 15.451 -0.773 1.00 0.00 C ATOM 684 CE1 HIS A 44 13.646 14.086 -0.602 1.00 0.00 C ATOM 685 NE2 HIS A 44 12.878 14.916 0.076 1.00 0.00 N ATOM 0 H HIS A 44 8.509 13.974 -3.968 1.00 0.00 H new ATOM 0 HA HIS A 44 10.431 14.137 -4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.201 15.416 -4.069 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.799 16.018 -3.208 1.00 0.00 H new ATOM 0 HD1 HIS A 44 13.658 13.512 -2.604 1.00 0.00 H new ATOM 0 HD2 HIS A 44 11.175 16.164 -0.511 1.00 0.00 H new ATOM 0 HE1 HIS A 44 14.469 13.516 -0.197 1.00 0.00 H new ATOM 694 N SER A 45 10.821 11.658 -3.056 1.00 0.00 N ATOM 695 CA SER A 45 11.490 10.370 -2.942 1.00 0.00 C ATOM 696 C SER A 45 10.882 9.363 -3.912 1.00 0.00 C ATOM 697 O SER A 45 9.717 8.977 -3.779 1.00 0.00 O ATOM 698 CB SER A 45 11.394 9.837 -1.511 1.00 0.00 C ATOM 699 OG SER A 45 11.396 10.904 -0.571 1.00 0.00 O ATOM 0 H SER A 45 9.926 11.722 -2.571 1.00 0.00 H new ATOM 0 HA SER A 45 12.541 10.512 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.483 9.249 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.232 9.169 -1.311 1.00 0.00 H new ATOM 0 HG SER A 45 10.518 11.339 -0.568 1.00 0.00 H new ATOM 705 N ASN A 46 11.662 8.956 -4.896 1.00 0.00 N ATOM 706 CA ASN A 46 11.269 7.859 -5.764 1.00 0.00 C ATOM 707 C ASN A 46 11.391 6.561 -4.974 1.00 0.00 C ATOM 708 O ASN A 46 12.325 6.398 -4.191 1.00 0.00 O ATOM 709 CB ASN A 46 12.187 7.775 -7.001 1.00 0.00 C ATOM 710 CG ASN A 46 13.552 7.273 -6.645 1.00 0.00 C ATOM 711 OD1 ASN A 46 13.759 6.074 -6.519 1.00 0.00 O ATOM 712 ND2 ASN A 46 14.496 8.185 -6.514 1.00 0.00 N ATOM 0 H ASN A 46 12.570 9.367 -5.115 1.00 0.00 H new ATOM 0 HA ASN A 46 10.246 8.022 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.738 7.114 -7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.270 8.760 -7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.452 7.902 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.270 9.173 -6.629 1.00 0.00 H new ATOM 719 N ILE A 47 10.434 5.667 -5.101 1.00 0.00 N ATOM 720 CA ILE A 47 10.640 4.325 -4.593 1.00 0.00 C ATOM 721 C ILE A 47 11.058 3.369 -5.697 1.00 0.00 C ATOM 722 O ILE A 47 11.675 2.359 -5.424 1.00 0.00 O ATOM 723 CB ILE A 47 9.421 3.749 -3.880 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.275 3.515 -4.846 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.007 4.662 -2.756 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.127 2.773 -4.208 1.00 0.00 C ATOM 0 H ILE A 47 9.528 5.836 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 47 11.441 4.423 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 47 9.691 2.779 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.919 4.474 -5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.637 2.950 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.136 4.245 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.827 4.759 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.758 5.644 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.333 2.631 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.473 1.801 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.744 3.350 -3.366 1.00 0.00 H new ATOM 738 N GLN A 48 10.741 3.713 -6.946 1.00 0.00 N ATOM 739 CA GLN A 48 10.947 2.825 -8.097 1.00 0.00 C ATOM 740 C GLN A 48 12.418 2.423 -8.256 1.00 0.00 C ATOM 741 O GLN A 48 12.759 1.536 -9.042 1.00 0.00 O ATOM 742 CB GLN A 48 10.452 3.542 -9.359 1.00 0.00 C ATOM 743 CG GLN A 48 10.337 2.664 -10.598 1.00 0.00 C ATOM 744 CD GLN A 48 9.310 1.547 -10.439 1.00 0.00 C ATOM 745 OE1 GLN A 48 8.023 1.841 -10.632 1.00 0.00 O flip ATOM 746 NE2 GLN A 48 9.670 0.422 -10.097 1.00 0.00 N flip ATOM 0 H GLN A 48 10.334 4.615 -7.191 1.00 0.00 H new ATOM 0 HA GLN A 48 10.384 1.906 -7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.475 3.979 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.130 4.367 -9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.064 3.283 -11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.311 2.227 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.661 0.224 -9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.978 -0.313 -9.954 1.00 0.00 H new ATOM 755 N HIS A 49 13.283 3.080 -7.507 1.00 0.00 N ATOM 756 CA HIS A 49 14.704 2.770 -7.532 1.00 0.00 C ATOM 757 C HIS A 49 15.033 1.631 -6.573 1.00 0.00 C ATOM 758 O HIS A 49 15.989 0.901 -6.786 1.00 0.00 O ATOM 759 CB HIS A 49 15.539 4.009 -7.198 1.00 0.00 C ATOM 760 CG HIS A 49 15.830 4.875 -8.392 1.00 0.00 C ATOM 761 ND1 HIS A 49 15.681 6.212 -8.582 1.00 0.00 N flip ATOM 762 CD2 HIS A 49 16.304 4.380 -9.584 1.00 0.00 C flip ATOM 763 CE1 HIS A 49 16.064 6.488 -9.865 1.00 0.00 C flip ATOM 764 NE2 HIS A 49 16.432 5.368 -10.450 1.00 0.00 N flip ATOM 0 H HIS A 49 13.027 3.835 -6.871 1.00 0.00 H new ATOM 0 HA HIS A 49 14.956 2.448 -8.542 1.00 0.00 H new ATOM 0 HB2 HIS A 49 15.013 4.601 -6.449 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.481 3.693 -6.750 1.00 0.00 H new ATOM 0 HD2 HIS A 49 16.536 3.344 -9.781 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.064 7.466 -10.324 1.00 0.00 H new ATOM 0 HE2 HIS A 49 16.761 5.278 -11.411 1.00 0.00 H new ATOM 773 N PHE A 50 14.239 1.479 -5.518 1.00 0.00 N ATOM 774 CA PHE A 50 14.454 0.402 -4.558 1.00 0.00 C ATOM 775 C PHE A 50 13.208 -0.459 -4.385 1.00 0.00 C ATOM 776 O PHE A 50 13.209 -1.424 -3.621 1.00 0.00 O ATOM 777 CB PHE A 50 14.928 0.982 -3.214 1.00 0.00 C ATOM 778 CG PHE A 50 13.949 1.898 -2.517 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.883 1.409 -1.767 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.120 3.267 -2.593 1.00 0.00 C ATOM 781 CE1 PHE A 50 12.019 2.272 -1.127 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.253 4.130 -1.954 1.00 0.00 C ATOM 783 CZ PHE A 50 12.201 3.632 -1.221 1.00 0.00 C ATOM 0 H PHE A 50 13.445 2.084 -5.307 1.00 0.00 H new ATOM 0 HA PHE A 50 15.234 -0.252 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.164 0.155 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.855 1.530 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.731 0.343 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.946 3.668 -3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.196 1.878 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.401 5.197 -2.030 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.521 4.306 -0.721 1.00 0.00 H new ATOM 793 N VAL A 51 12.168 -0.128 -5.124 1.00 0.00 N ATOM 794 CA VAL A 51 10.928 -0.867 -5.090 1.00 0.00 C ATOM 795 C VAL A 51 10.655 -1.421 -6.472 1.00 0.00 C ATOM 796 O VAL A 51 10.682 -0.695 -7.462 1.00 0.00 O ATOM 797 CB VAL A 51 9.771 0.018 -4.591 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.420 -0.654 -4.792 1.00 0.00 C ATOM 799 CG2 VAL A 51 9.984 0.329 -3.119 1.00 0.00 C ATOM 0 H VAL A 51 12.162 0.664 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 51 11.012 -1.695 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 51 9.766 0.940 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.630 0.002 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.267 -0.852 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.395 -1.594 -4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.169 0.956 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.007 -0.601 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.930 0.855 -2.992 1.00 0.00 H new ATOM 809 N GLU A 52 10.440 -2.720 -6.530 1.00 0.00 N ATOM 810 CA GLU A 52 10.413 -3.430 -7.797 1.00 0.00 C ATOM 811 C GLU A 52 8.991 -3.494 -8.352 1.00 0.00 C ATOM 812 O GLU A 52 8.742 -3.144 -9.505 1.00 0.00 O ATOM 813 CB GLU A 52 10.977 -4.842 -7.589 1.00 0.00 C ATOM 814 CG GLU A 52 11.489 -5.508 -8.853 1.00 0.00 C ATOM 815 CD GLU A 52 12.143 -6.844 -8.570 1.00 0.00 C ATOM 816 OE1 GLU A 52 13.308 -6.857 -8.111 1.00 0.00 O ATOM 817 OE2 GLU A 52 11.501 -7.888 -8.809 1.00 0.00 O ATOM 0 H GLU A 52 10.281 -3.309 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 52 11.027 -2.897 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.790 -4.792 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.200 -5.469 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.661 -5.650 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.207 -4.850 -9.343 1.00 0.00 H new ATOM 824 N LYS A 53 8.072 -3.956 -7.518 1.00 0.00 N ATOM 825 CA LYS A 53 6.669 -4.064 -7.870 1.00 0.00 C ATOM 826 C LYS A 53 5.821 -3.907 -6.616 1.00 0.00 C ATOM 827 O LYS A 53 6.353 -3.756 -5.521 1.00 0.00 O ATOM 828 CB LYS A 53 6.408 -5.419 -8.528 1.00 0.00 C ATOM 829 CG LYS A 53 6.795 -6.605 -7.657 1.00 0.00 C ATOM 830 CD LYS A 53 6.526 -7.935 -8.340 1.00 0.00 C ATOM 831 CE LYS A 53 5.045 -8.202 -8.515 1.00 0.00 C ATOM 832 NZ LYS A 53 4.808 -9.390 -9.376 1.00 0.00 N ATOM 0 H LYS A 53 8.283 -4.269 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 53 6.403 -3.277 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.350 -5.494 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.962 -5.471 -9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.853 -6.537 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.239 -6.561 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.013 -7.945 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.971 -8.739 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.584 -8.359 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.566 -7.329 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.785 -9.547 -9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.228 -9.228 -10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.245 -10.227 -8.941 1.00 0.00 H new ATOM 846 N VAL A 54 4.512 -3.947 -6.770 1.00 0.00 N ATOM 847 CA VAL A 54 3.604 -3.761 -5.649 1.00 0.00 C ATOM 848 C VAL A 54 2.390 -4.665 -5.787 1.00 0.00 C ATOM 849 O VAL A 54 2.006 -5.025 -6.899 1.00 0.00 O ATOM 850 CB VAL A 54 3.182 -2.282 -5.540 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.838 -2.107 -4.854 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.250 -1.520 -4.786 1.00 0.00 C ATOM 0 H VAL A 54 4.049 -4.107 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 54 4.124 -4.036 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 54 3.073 -1.890 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.590 -1.047 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.069 -2.633 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.889 -2.515 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.960 -0.472 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.364 -1.944 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.196 -1.594 -5.322 1.00 0.00 H new ATOM 862 N VAL A 55 1.800 -5.040 -4.659 1.00 0.00 N ATOM 863 CA VAL A 55 0.661 -5.937 -4.661 1.00 0.00 C ATOM 864 C VAL A 55 -0.324 -5.555 -3.557 1.00 0.00 C ATOM 865 O VAL A 55 0.066 -5.050 -2.501 1.00 0.00 O ATOM 866 CB VAL A 55 1.115 -7.409 -4.500 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.593 -8.025 -3.217 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.676 -8.233 -5.695 1.00 0.00 C ATOM 0 H VAL A 55 2.095 -4.734 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 55 0.157 -5.842 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 55 2.204 -7.410 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.935 -9.057 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.965 -7.458 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.497 -8.003 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.003 -9.265 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.411 -8.204 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.119 -7.823 -6.602 1.00 0.00 H new ATOM 878 N PHE A 56 -1.595 -5.788 -3.817 1.00 0.00 N ATOM 879 CA PHE A 56 -2.639 -5.564 -2.835 1.00 0.00 C ATOM 880 C PHE A 56 -3.420 -6.842 -2.636 1.00 0.00 C ATOM 881 O PHE A 56 -3.842 -7.458 -3.604 1.00 0.00 O ATOM 882 CB PHE A 56 -3.587 -4.445 -3.282 1.00 0.00 C ATOM 883 CG PHE A 56 -3.036 -3.068 -3.067 1.00 0.00 C ATOM 884 CD1 PHE A 56 -2.083 -2.545 -3.927 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.473 -2.298 -2.006 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.574 -1.281 -3.730 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.967 -1.028 -1.805 1.00 0.00 C ATOM 888 CZ PHE A 56 -2.017 -0.519 -2.668 1.00 0.00 C ATOM 0 H PHE A 56 -1.934 -6.137 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.173 -5.261 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.815 -4.575 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.528 -4.539 -2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.736 -3.136 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.216 -2.692 -1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.829 -0.886 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.315 -0.434 -0.973 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.621 0.474 -2.512 1.00 0.00 H new ATOM 898 N HIS A 57 -3.585 -7.261 -1.397 1.00 0.00 N ATOM 899 CA HIS A 57 -4.398 -8.430 -1.107 1.00 0.00 C ATOM 900 C HIS A 57 -5.717 -7.985 -0.512 1.00 0.00 C ATOM 901 O HIS A 57 -5.850 -7.866 0.704 1.00 0.00 O ATOM 902 CB HIS A 57 -3.697 -9.383 -0.132 1.00 0.00 C ATOM 903 CG HIS A 57 -2.379 -9.908 -0.614 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.212 -11.186 -1.103 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.150 -9.334 -0.652 1.00 0.00 C ATOM 906 CE1 HIS A 57 -0.944 -11.375 -1.411 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.278 -10.270 -1.148 1.00 0.00 N ATOM 0 H HIS A 57 -3.171 -6.815 -0.579 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.562 -8.967 -2.041 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.543 -8.865 0.815 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.358 -10.226 0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.904 -8.327 -0.348 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.522 -12.285 -1.812 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.723 -10.132 -1.290 1.00 0.00 H new ATOM 916 N LEU A 58 -6.677 -7.703 -1.375 1.00 0.00 N ATOM 917 CA LEU A 58 -8.022 -7.380 -0.918 1.00 0.00 C ATOM 918 C LEU A 58 -8.647 -8.633 -0.307 1.00 0.00 C ATOM 919 O LEU A 58 -8.003 -9.679 -0.216 1.00 0.00 O ATOM 920 CB LEU A 58 -8.919 -6.899 -2.063 1.00 0.00 C ATOM 921 CG LEU A 58 -8.295 -5.969 -3.089 1.00 0.00 C ATOM 922 CD1 LEU A 58 -9.229 -5.859 -4.250 1.00 0.00 C ATOM 923 CD2 LEU A 58 -8.022 -4.592 -2.519 1.00 0.00 C ATOM 0 H LEU A 58 -6.555 -7.690 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.943 -6.575 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.297 -7.776 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.780 -6.393 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.335 -6.384 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.800 -5.195 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.385 -6.846 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.184 -5.456 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.576 -3.962 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.958 -4.146 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.336 -4.677 -1.676 1.00 0.00 H new ATOM 935 N HIS A 59 -9.897 -8.546 0.102 1.00 0.00 N ATOM 936 CA HIS A 59 -10.567 -9.713 0.654 1.00 0.00 C ATOM 937 C HIS A 59 -11.245 -10.489 -0.454 1.00 0.00 C ATOM 938 O HIS A 59 -11.636 -9.925 -1.464 1.00 0.00 O ATOM 939 CB HIS A 59 -11.547 -9.321 1.758 1.00 0.00 C ATOM 940 CG HIS A 59 -10.886 -9.220 3.100 1.00 0.00 C ATOM 941 ND1 HIS A 59 -11.580 -9.183 4.291 1.00 0.00 N ATOM 942 CD2 HIS A 59 -9.574 -9.160 3.433 1.00 0.00 C ATOM 943 CE1 HIS A 59 -10.725 -9.104 5.295 1.00 0.00 C ATOM 944 NE2 HIS A 59 -9.504 -9.090 4.800 1.00 0.00 N ATOM 0 H HIS A 59 -10.463 -7.698 0.065 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.821 -10.360 1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.006 -8.364 1.509 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.350 -10.057 1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.739 -9.166 2.748 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.983 -9.059 6.343 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -8.644 -9.036 5.347 1.00 0.00 H new ATOM 953 N GLU A 60 -11.349 -11.795 -0.244 1.00 0.00 N ATOM 954 CA GLU A 60 -11.795 -12.745 -1.272 1.00 0.00 C ATOM 955 C GLU A 60 -13.166 -12.411 -1.851 1.00 0.00 C ATOM 956 O GLU A 60 -13.510 -12.879 -2.938 1.00 0.00 O ATOM 957 CB GLU A 60 -11.823 -14.152 -0.697 1.00 0.00 C ATOM 958 CG GLU A 60 -10.467 -14.640 -0.220 1.00 0.00 C ATOM 959 CD GLU A 60 -10.505 -16.074 0.251 1.00 0.00 C ATOM 960 OE1 GLU A 60 -10.923 -16.312 1.402 1.00 0.00 O ATOM 961 OE2 GLU A 60 -10.120 -16.971 -0.529 1.00 0.00 O ATOM 0 H GLU A 60 -11.126 -12.235 0.649 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.077 -12.675 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.524 -14.181 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.201 -14.838 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.744 -14.546 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.120 -14.002 0.593 1.00 0.00 H new ATOM 968 N SER A 61 -13.952 -11.634 -1.117 1.00 0.00 N ATOM 969 CA SER A 61 -15.223 -11.127 -1.625 1.00 0.00 C ATOM 970 C SER A 61 -14.983 -10.259 -2.865 1.00 0.00 C ATOM 971 O SER A 61 -15.891 -10.024 -3.662 1.00 0.00 O ATOM 972 CB SER A 61 -15.947 -10.327 -0.539 1.00 0.00 C ATOM 973 OG SER A 61 -17.253 -9.951 -0.951 1.00 0.00 O ATOM 0 H SER A 61 -13.732 -11.340 -0.165 1.00 0.00 H new ATOM 0 HA SER A 61 -15.853 -11.970 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.009 -10.922 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.370 -9.434 -0.298 1.00 0.00 H new ATOM 0 HG SER A 61 -17.688 -9.443 -0.235 1.00 0.00 H new ATOM 979 N PHE A 62 -13.754 -9.790 -3.007 1.00 0.00 N ATOM 980 CA PHE A 62 -13.327 -9.047 -4.173 1.00 0.00 C ATOM 981 C PHE A 62 -12.712 -10.017 -5.186 1.00 0.00 C ATOM 982 O PHE A 62 -11.804 -10.775 -4.845 1.00 0.00 O ATOM 983 CB PHE A 62 -12.292 -7.987 -3.767 1.00 0.00 C ATOM 984 CG PHE A 62 -12.799 -6.926 -2.818 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.153 -7.229 -1.512 1.00 0.00 C ATOM 986 CD2 PHE A 62 -12.902 -5.617 -3.240 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.606 -6.240 -0.655 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.353 -4.623 -2.398 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.708 -4.935 -1.101 1.00 0.00 C ATOM 0 H PHE A 62 -13.022 -9.917 -2.309 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.184 -8.545 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.442 -8.490 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.922 -7.499 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.075 -8.247 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.623 -5.365 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -13.879 -6.488 0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.428 -3.605 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.064 -4.162 -0.436 1.00 0.00 H new ATOM 999 N PRO A 63 -13.214 -10.029 -6.431 1.00 0.00 N ATOM 1000 CA PRO A 63 -12.726 -10.942 -7.477 1.00 0.00 C ATOM 1001 C PRO A 63 -11.270 -10.672 -7.843 1.00 0.00 C ATOM 1002 O PRO A 63 -10.934 -9.569 -8.267 1.00 0.00 O ATOM 1003 CB PRO A 63 -13.636 -10.650 -8.677 1.00 0.00 C ATOM 1004 CG PRO A 63 -14.803 -9.910 -8.118 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.289 -9.160 -6.925 1.00 0.00 C ATOM 0 HA PRO A 63 -12.757 -11.981 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.117 -10.055 -9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.952 -11.572 -9.164 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.221 -9.227 -8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.600 -10.597 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.917 -8.172 -7.198 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.066 -9.012 -6.175 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.422 -11.692 -7.687 1.00 0.00 N ATOM 1014 CA ARG A 64 -8.980 -11.560 -7.906 1.00 0.00 C ATOM 1015 C ARG A 64 -8.406 -10.453 -7.031 1.00 0.00 C ATOM 1016 O ARG A 64 -7.856 -9.475 -7.536 1.00 0.00 O ATOM 1017 CB ARG A 64 -8.661 -11.271 -9.375 1.00 0.00 C ATOM 1018 CG ARG A 64 -9.061 -12.380 -10.329 1.00 0.00 C ATOM 1019 CD ARG A 64 -8.505 -12.131 -11.714 1.00 0.00 C ATOM 1020 NE ARG A 64 -7.042 -12.126 -11.720 1.00 0.00 N ATOM 1021 CZ ARG A 64 -6.300 -11.457 -12.600 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -6.878 -10.782 -13.586 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -4.978 -11.484 -12.507 1.00 0.00 N ATOM 0 H ARG A 64 -10.714 -12.628 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.520 -12.510 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.168 -10.352 -9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.591 -11.091 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.697 -13.336 -9.954 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.148 -12.449 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.869 -12.900 -12.395 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.873 -11.175 -12.087 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.560 -12.670 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.894 -10.774 -13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.306 -10.271 -14.258 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.530 -12.017 -11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.409 -10.972 -13.181 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.473 -10.622 -5.702 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.223 -9.535 -4.754 1.00 0.00 C ATOM 1039 C PRO A 65 -6.783 -9.045 -4.774 1.00 0.00 C ATOM 1040 O PRO A 65 -6.482 -7.941 -4.328 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.571 -10.151 -3.399 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.403 -11.617 -3.587 1.00 0.00 C ATOM 1043 CD PRO A 65 -8.762 -11.896 -5.018 1.00 0.00 C ATOM 0 HA PRO A 65 -8.812 -8.650 -4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.914 -9.776 -2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.591 -9.905 -3.104 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.378 -11.922 -3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.048 -12.174 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.170 -12.714 -5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.810 -12.178 -5.121 1.00 0.00 H new ATOM 1051 N LYS A 66 -5.901 -9.875 -5.283 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.517 -9.505 -5.449 1.00 0.00 C ATOM 1053 C LYS A 66 -4.361 -8.601 -6.662 1.00 0.00 C ATOM 1054 O LYS A 66 -4.375 -9.064 -7.804 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.637 -10.743 -5.587 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.170 -10.425 -5.835 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.330 -11.686 -5.802 1.00 0.00 C ATOM 1058 CE LYS A 66 0.010 -11.507 -6.492 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.810 -12.759 -6.453 1.00 0.00 N ATOM 0 H LYS A 66 -6.123 -10.821 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.195 -8.961 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.722 -11.341 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.011 -11.354 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.059 -9.934 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.813 -9.725 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.165 -11.983 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.878 -12.497 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.149 -11.207 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.565 -10.703 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.720 -12.605 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.982 -13.031 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.289 -13.519 -6.935 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.244 -7.312 -6.401 1.00 0.00 N ATOM 1074 CA ARG A 67 -4.051 -6.334 -7.453 1.00 0.00 C ATOM 1075 C ARG A 67 -2.590 -5.935 -7.485 1.00 0.00 C ATOM 1076 O ARG A 67 -2.081 -5.370 -6.518 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.912 -5.089 -7.218 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.338 -5.380 -6.776 1.00 0.00 C ATOM 1079 CD ARG A 67 -7.068 -6.292 -7.743 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.511 -6.220 -7.545 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.408 -6.869 -8.278 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -9.028 -7.604 -9.316 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.696 -6.758 -7.983 1.00 0.00 N ATOM 0 H ARG A 67 -4.280 -6.917 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.349 -6.778 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.431 -4.468 -6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.943 -4.505 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.323 -5.840 -5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.885 -4.442 -6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.824 -6.011 -8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.730 -7.319 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.856 -5.629 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.039 -7.674 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.725 -8.099 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.991 -6.177 -7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.392 -7.253 -8.541 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.907 -6.245 -8.569 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.491 -5.947 -8.659 1.00 0.00 C ATOM 1099 C VAL A 68 -0.270 -4.650 -9.437 1.00 0.00 C ATOM 1100 O VAL A 68 -1.016 -4.331 -10.365 1.00 0.00 O ATOM 1101 CB VAL A 68 0.306 -7.114 -9.301 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.301 -8.461 -8.929 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.402 -6.963 -10.808 1.00 0.00 C ATOM 0 H VAL A 68 -2.304 -6.698 -9.392 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.115 -5.819 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 68 1.319 -7.075 -8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.277 -9.261 -9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.284 -8.581 -7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.331 -8.506 -9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.967 -7.798 -11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.600 -6.954 -11.237 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.908 -6.028 -11.048 1.00 0.00 H new ATOM 1113 N CYS A 69 0.726 -3.887 -9.022 1.00 0.00 N ATOM 1114 CA CYS A 69 1.111 -2.676 -9.723 1.00 0.00 C ATOM 1115 C CYS A 69 2.622 -2.665 -9.927 1.00 0.00 C ATOM 1116 O CYS A 69 3.387 -2.597 -8.969 1.00 0.00 O ATOM 1117 CB CYS A 69 0.653 -1.436 -8.945 1.00 0.00 C ATOM 1118 SG CYS A 69 -1.143 -1.293 -8.784 1.00 0.00 S ATOM 0 H CYS A 69 1.287 -4.088 -8.194 1.00 0.00 H new ATOM 0 HA CYS A 69 0.625 -2.655 -10.698 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.096 -1.460 -7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.035 -0.545 -9.443 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.711 -2.332 -9.321 1.00 0.00 H new ATOM 1124 N LYS A 70 3.044 -2.782 -11.175 1.00 0.00 N ATOM 1125 CA LYS A 70 4.465 -2.804 -11.516 1.00 0.00 C ATOM 1126 C LYS A 70 4.869 -1.460 -12.121 1.00 0.00 C ATOM 1127 O LYS A 70 6.004 -1.265 -12.560 1.00 0.00 O ATOM 1128 CB LYS A 70 4.741 -3.931 -12.523 1.00 0.00 C ATOM 1129 CG LYS A 70 4.080 -5.262 -12.173 1.00 0.00 C ATOM 1130 CD LYS A 70 4.131 -6.230 -13.341 1.00 0.00 C ATOM 1131 CE LYS A 70 3.427 -7.534 -13.010 1.00 0.00 C ATOM 1132 NZ LYS A 70 3.410 -8.468 -14.166 1.00 0.00 N ATOM 0 H LYS A 70 2.420 -2.864 -11.978 1.00 0.00 H new ATOM 0 HA LYS A 70 5.048 -2.982 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.396 -3.615 -13.508 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.818 -4.082 -12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.581 -5.703 -11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.043 -5.090 -11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.664 -5.774 -14.214 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.170 -6.432 -13.603 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.926 -8.011 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.404 -7.324 -12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.920 -9.345 -13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.912 -8.024 -14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.386 -8.689 -14.448 1.00 0.00 H new ATOM 1146 N ASP A 71 3.920 -0.537 -12.125 1.00 0.00 N ATOM 1147 CA ASP A 71 4.092 0.768 -12.743 1.00 0.00 C ATOM 1148 C ASP A 71 4.225 1.844 -11.667 1.00 0.00 C ATOM 1149 O ASP A 71 4.097 1.533 -10.487 1.00 0.00 O ATOM 1150 CB ASP A 71 2.886 1.065 -13.651 1.00 0.00 C ATOM 1151 CG ASP A 71 2.882 0.232 -14.916 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.297 -0.870 -14.906 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.448 0.680 -15.935 1.00 0.00 O ATOM 0 H ASP A 71 3.004 -0.673 -11.697 1.00 0.00 H new ATOM 0 HA ASP A 71 5.001 0.768 -13.344 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.966 0.880 -13.097 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.890 2.122 -13.918 1.00 0.00 H new ATOM 1158 N PRO A 72 4.539 3.105 -12.048 1.00 0.00 N ATOM 1159 CA PRO A 72 4.455 4.282 -11.143 1.00 0.00 C ATOM 1160 C PRO A 72 3.140 4.329 -10.304 1.00 0.00 C ATOM 1161 O PRO A 72 2.344 3.394 -10.382 1.00 0.00 O ATOM 1162 CB PRO A 72 4.562 5.434 -12.141 1.00 0.00 C ATOM 1163 CG PRO A 72 5.495 4.918 -13.172 1.00 0.00 C ATOM 1164 CD PRO A 72 5.095 3.486 -13.369 1.00 0.00 C ATOM 0 HA PRO A 72 5.221 4.290 -10.368 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.591 5.685 -12.569 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.946 6.338 -11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.411 5.483 -14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.531 4.998 -12.843 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.356 3.380 -14.163 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.947 2.864 -13.642 1.00 0.00 H new ATOM 1172 N PRO A 73 2.838 5.456 -9.573 1.00 0.00 N ATOM 1173 CA PRO A 73 1.940 5.479 -8.408 1.00 0.00 C ATOM 1174 C PRO A 73 1.012 4.275 -8.276 1.00 0.00 C ATOM 1175 O PRO A 73 0.067 4.087 -9.047 1.00 0.00 O ATOM 1176 CB PRO A 73 1.153 6.750 -8.679 1.00 0.00 C ATOM 1177 CG PRO A 73 2.150 7.683 -9.302 1.00 0.00 C ATOM 1178 CD PRO A 73 3.285 6.832 -9.837 1.00 0.00 C ATOM 0 HA PRO A 73 2.489 5.445 -7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.313 6.562 -9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.741 7.166 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.689 8.259 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.519 8.399 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.448 7.004 -10.901 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.225 7.053 -9.331 1.00 0.00 H new ATOM 1186 N TYR A 74 1.301 3.485 -7.253 1.00 0.00 N ATOM 1187 CA TYR A 74 0.665 2.200 -7.033 1.00 0.00 C ATOM 1188 C TYR A 74 -0.621 2.391 -6.247 1.00 0.00 C ATOM 1189 O TYR A 74 -0.620 3.014 -5.181 1.00 0.00 O ATOM 1190 CB TYR A 74 1.616 1.285 -6.255 1.00 0.00 C ATOM 1191 CG TYR A 74 3.047 1.283 -6.762 1.00 0.00 C ATOM 1192 CD1 TYR A 74 3.903 2.342 -6.490 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.545 0.221 -7.500 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.205 2.342 -6.936 1.00 0.00 C ATOM 1195 CE2 TYR A 74 4.853 0.212 -7.947 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.676 1.274 -7.662 1.00 0.00 C ATOM 1197 OH TYR A 74 6.976 1.264 -8.101 1.00 0.00 O ATOM 0 H TYR A 74 1.994 3.724 -6.544 1.00 0.00 H new ATOM 0 HA TYR A 74 0.431 1.744 -7.995 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.616 1.589 -5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.230 0.266 -6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.540 3.182 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.900 -0.614 -7.730 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.854 3.177 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.226 -0.626 -8.517 1.00 0.00 H new ATOM 0 HH TYR A 74 7.003 1.515 -9.048 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.711 1.859 -6.769 1.00 0.00 N ATOM 1208 CA LYS A 75 -3.022 2.083 -6.183 1.00 0.00 C ATOM 1209 C LYS A 75 -4.010 1.005 -6.585 1.00 0.00 C ATOM 1210 O LYS A 75 -3.844 0.332 -7.603 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.566 3.447 -6.626 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.366 3.730 -8.103 1.00 0.00 C ATOM 1213 CD LYS A 75 -4.285 4.837 -8.596 1.00 0.00 C ATOM 1214 CE LYS A 75 -3.998 6.153 -7.894 1.00 0.00 C ATOM 1215 NZ LYS A 75 -4.714 7.293 -8.527 1.00 0.00 N ATOM 0 H LYS A 75 -1.715 1.267 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.904 2.055 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.630 3.496 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.078 4.230 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.329 4.013 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.552 2.821 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.161 4.963 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.323 4.552 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.293 6.077 -6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.925 6.345 -7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.073 8.109 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.032 7.018 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.538 7.550 -7.947 1.00 0.00 H new ATOM 1229 N VAL A 76 -5.027 0.846 -5.763 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.195 0.051 -6.123 1.00 0.00 C ATOM 1231 C VAL A 76 -7.425 0.933 -6.069 1.00 0.00 C ATOM 1232 O VAL A 76 -7.693 1.560 -5.048 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.425 -1.173 -5.212 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.831 -1.726 -5.421 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.400 -2.261 -5.492 1.00 0.00 C ATOM 0 H VAL A 76 -5.073 1.259 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.011 -0.333 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.313 -0.850 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.982 -2.589 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.564 -0.957 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.953 -2.027 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.585 -3.112 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.482 -2.579 -6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.398 -1.873 -5.309 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.147 0.999 -7.168 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.369 1.777 -7.225 1.00 0.00 C ATOM 1247 C GLU A 77 -10.538 0.855 -7.461 1.00 0.00 C ATOM 1248 O GLU A 77 -10.723 0.351 -8.572 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.306 2.815 -8.342 1.00 0.00 C ATOM 1250 CG GLU A 77 -7.988 3.548 -8.414 1.00 0.00 C ATOM 1251 CD GLU A 77 -7.262 3.301 -9.722 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -6.543 2.285 -9.833 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -7.419 4.118 -10.652 1.00 0.00 O ATOM 0 H GLU A 77 -7.909 0.522 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.490 2.300 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.490 2.321 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.108 3.540 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.163 4.617 -8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.354 3.234 -7.585 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.328 0.633 -6.428 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.473 -0.257 -6.561 1.00 0.00 C ATOM 1262 C GLU A 78 -13.428 -0.134 -5.376 1.00 0.00 C ATOM 1263 O GLU A 78 -13.154 0.590 -4.417 1.00 0.00 O ATOM 1264 CB GLU A 78 -12.039 -1.739 -6.852 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.470 -2.544 -5.696 1.00 0.00 C ATOM 1266 CD GLU A 78 -11.159 -3.951 -6.150 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -10.025 -4.187 -6.609 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -12.057 -4.815 -6.102 1.00 0.00 O ATOM 0 H GLU A 78 -11.205 1.046 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.034 0.066 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.907 -2.274 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.294 -1.721 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.565 -2.066 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.184 -2.568 -4.873 1.00 0.00 H new ATOM 1275 N SER A 79 -14.558 -0.827 -5.465 1.00 0.00 N ATOM 1276 CA SER A 79 -15.716 -0.516 -4.641 1.00 0.00 C ATOM 1277 C SER A 79 -16.162 -1.717 -3.793 1.00 0.00 C ATOM 1278 O SER A 79 -15.793 -2.862 -4.066 1.00 0.00 O ATOM 1279 CB SER A 79 -16.850 -0.033 -5.563 1.00 0.00 C ATOM 1280 OG SER A 79 -17.986 0.404 -4.834 1.00 0.00 O ATOM 0 H SER A 79 -14.695 -1.611 -6.103 1.00 0.00 H new ATOM 0 HA SER A 79 -15.450 0.270 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.485 0.783 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.140 -0.842 -6.233 1.00 0.00 H new ATOM 0 HG SER A 79 -18.143 1.355 -5.012 1.00 0.00 H new ATOM 1286 N GLY A 80 -16.957 -1.428 -2.766 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.445 -2.437 -1.842 1.00 0.00 C ATOM 1288 C GLY A 80 -18.506 -1.851 -0.925 1.00 0.00 C ATOM 1289 O GLY A 80 -19.142 -0.866 -1.285 1.00 0.00 O ATOM 0 H GLY A 80 -17.279 -0.484 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.861 -3.277 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.617 -2.826 -1.249 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.714 -2.427 0.255 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.688 -1.861 1.195 1.00 0.00 C ATOM 1295 C TYR A 81 -19.257 -2.002 2.654 1.00 0.00 C ATOM 1296 O TYR A 81 -20.092 -1.937 3.557 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.088 -2.467 0.997 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.142 -3.984 0.983 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.123 -4.717 2.162 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.233 -4.681 -0.216 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.188 -6.096 2.149 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.301 -6.061 -0.236 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.278 -6.762 0.948 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.345 -8.137 0.931 1.00 0.00 O ATOM 0 H TYR A 81 -18.236 -3.266 0.582 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.732 -0.796 0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.739 -2.104 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.497 -2.097 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.056 -4.199 3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.251 -4.135 -1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.168 -6.649 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.372 -6.587 -1.177 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.406 -8.450 0.004 1.00 0.00 H new ATOM 1314 N ALA A 82 -17.964 -2.174 2.892 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.445 -2.261 4.254 1.00 0.00 C ATOM 1316 C ALA A 82 -15.937 -2.089 4.273 1.00 0.00 C ATOM 1317 O ALA A 82 -15.283 -2.153 3.232 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.812 -3.592 4.889 1.00 0.00 C ATOM 0 H ALA A 82 -17.255 -2.256 2.163 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.900 -1.455 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.414 -3.633 5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.897 -3.693 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.388 -4.405 4.300 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.397 -1.871 5.465 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.964 -1.759 5.625 1.00 0.00 C ATOM 1326 C GLY A 83 -13.341 -3.068 6.063 1.00 0.00 C ATOM 1327 O GLY A 83 -14.060 -4.030 6.373 1.00 0.00 O ATOM 0 H GLY A 83 -15.932 -1.769 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.517 -1.442 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.740 -0.986 6.360 1.00 0.00 H new ATOM 1331 N PHE A 84 -12.009 -3.102 6.091 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.254 -4.304 6.444 1.00 0.00 C ATOM 1333 C PHE A 84 -9.753 -4.029 6.416 1.00 0.00 C ATOM 1334 O PHE A 84 -9.296 -3.122 5.721 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.581 -5.462 5.482 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.291 -5.188 4.025 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.141 -4.396 3.268 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.179 -5.741 3.410 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -11.887 -4.158 1.932 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.917 -5.508 2.076 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.770 -4.716 1.332 1.00 0.00 C ATOM 0 H PHE A 84 -11.423 -2.297 5.870 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.546 -4.590 7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.014 -6.340 5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.637 -5.712 5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.014 -3.959 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.508 -6.363 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.558 -3.538 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.045 -5.945 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.567 -4.533 0.287 1.00 0.00 H new ATOM 1351 N ILE A 85 -8.995 -4.795 7.196 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.540 -4.762 7.119 1.00 0.00 C ATOM 1353 C ILE A 85 -7.089 -5.254 5.753 1.00 0.00 C ATOM 1354 O ILE A 85 -7.425 -6.368 5.346 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.880 -5.638 8.213 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -7.000 -4.976 9.584 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.414 -5.911 7.888 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -6.261 -3.660 9.686 1.00 0.00 C ATOM 0 H ILE A 85 -9.366 -5.446 7.888 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.228 -3.730 7.277 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.410 -6.590 8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.054 -4.810 9.807 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.617 -5.658 10.343 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.976 -6.528 8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.344 -6.434 6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.873 -4.967 7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.390 -3.247 10.686 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.200 -3.823 9.494 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.660 -2.961 8.951 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.345 -4.424 5.047 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.850 -4.789 3.737 1.00 0.00 C ATOM 1372 C LEU A 86 -4.336 -4.946 3.784 1.00 0.00 C ATOM 1373 O LEU A 86 -3.605 -3.964 3.918 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.264 -3.735 2.707 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.495 -4.271 1.292 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.536 -3.443 0.564 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.214 -4.262 0.499 1.00 0.00 C ATOM 0 H LEU A 86 -6.071 -3.493 5.360 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.285 -5.743 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.179 -3.252 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.493 -2.965 2.667 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.853 -5.296 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.683 -3.843 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.478 -3.480 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.196 -2.409 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.404 -4.647 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.836 -3.242 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.474 -4.890 0.995 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.852 -6.194 3.715 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.425 -6.488 3.725 1.00 0.00 C ATOM 1391 C PRO A 87 -1.776 -6.101 2.402 1.00 0.00 C ATOM 1392 O PRO A 87 -1.909 -6.804 1.396 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.349 -8.007 3.944 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.749 -8.452 4.223 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.653 -7.418 3.618 1.00 0.00 C ATOM 0 HA PRO A 87 -1.895 -5.928 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.948 -8.509 3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.689 -8.249 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.938 -9.434 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.922 -8.539 5.296 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.906 -7.656 2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.592 -7.332 4.164 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.101 -4.967 2.401 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.496 -4.445 1.194 1.00 0.00 C ATOM 1405 C ILE A 88 0.983 -4.805 1.132 1.00 0.00 C ATOM 1406 O ILE A 88 1.666 -4.827 2.153 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.657 -2.914 1.117 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.117 -2.533 1.384 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.217 -2.421 -0.250 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.302 -1.118 1.884 1.00 0.00 C ATOM 0 H ILE A 88 -0.958 -4.388 3.229 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.008 -4.898 0.345 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.031 -2.443 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.689 -2.660 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.534 -3.224 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.332 -1.338 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.829 -2.683 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.831 -2.888 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.362 -0.926 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.760 -0.989 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.917 -0.417 1.143 1.00 0.00 H new ATOM 1422 N GLU A 89 1.466 -5.089 -0.064 1.00 0.00 N ATOM 1423 CA GLU A 89 2.864 -5.427 -0.260 1.00 0.00 C ATOM 1424 C GLU A 89 3.548 -4.426 -1.167 1.00 0.00 C ATOM 1425 O GLU A 89 3.033 -4.068 -2.227 1.00 0.00 O ATOM 1426 CB GLU A 89 3.023 -6.810 -0.873 1.00 0.00 C ATOM 1427 CG GLU A 89 2.824 -7.950 0.100 1.00 0.00 C ATOM 1428 CD GLU A 89 3.189 -9.290 -0.514 1.00 0.00 C ATOM 1429 OE1 GLU A 89 2.326 -9.905 -1.180 1.00 0.00 O ATOM 1430 OE2 GLU A 89 4.349 -9.733 -0.346 1.00 0.00 O ATOM 0 H GLU A 89 0.908 -5.092 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 89 3.327 -5.410 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.309 -6.917 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.019 -6.889 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.433 -7.780 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.784 -7.971 0.426 1.00 0.00 H new ATOM 1437 N VAL A 90 4.716 -3.990 -0.744 1.00 0.00 N ATOM 1438 CA VAL A 90 5.568 -3.165 -1.573 1.00 0.00 C ATOM 1439 C VAL A 90 6.874 -3.915 -1.782 1.00 0.00 C ATOM 1440 O VAL A 90 7.669 -4.070 -0.852 1.00 0.00 O ATOM 1441 CB VAL A 90 5.825 -1.781 -0.936 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.459 -0.821 -1.934 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.527 -1.202 -0.404 1.00 0.00 C ATOM 0 H VAL A 90 5.099 -4.196 0.178 1.00 0.00 H new ATOM 0 HA VAL A 90 5.077 -2.976 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 90 6.523 -1.915 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.627 0.144 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.411 -1.227 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.793 -0.691 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.720 -0.227 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.815 -1.092 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.112 -1.871 0.350 1.00 0.00 H new ATOM 1453 N TYR A 91 7.064 -4.430 -2.985 1.00 0.00 N ATOM 1454 CA TYR A 91 8.211 -5.290 -3.272 1.00 0.00 C ATOM 1455 C TYR A 91 9.486 -4.483 -3.358 1.00 0.00 C ATOM 1456 O TYR A 91 9.525 -3.425 -3.977 1.00 0.00 O ATOM 1457 CB TYR A 91 8.023 -6.059 -4.577 1.00 0.00 C ATOM 1458 CG TYR A 91 7.304 -7.380 -4.426 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.126 -7.480 -3.703 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.814 -8.533 -5.014 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.478 -8.689 -3.566 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.166 -9.746 -4.886 1.00 0.00 C ATOM 1463 CZ TYR A 91 5.999 -9.818 -4.159 1.00 0.00 C ATOM 1464 OH TYR A 91 5.352 -11.023 -4.011 1.00 0.00 O ATOM 0 H TYR A 91 6.444 -4.271 -3.779 1.00 0.00 H new ATOM 0 HA TYR A 91 8.285 -6.001 -2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.466 -5.434 -5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.001 -6.241 -5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.709 -6.598 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.732 -8.479 -5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.564 -8.751 -2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.572 -10.631 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 91 5.846 -11.721 -4.490 1.00 0.00 H new ATOM 1474 N PHE A 92 10.528 -5.011 -2.765 1.00 0.00 N ATOM 1475 CA PHE A 92 11.813 -4.349 -2.753 1.00 0.00 C ATOM 1476 C PHE A 92 12.721 -5.000 -3.781 1.00 0.00 C ATOM 1477 O PHE A 92 12.580 -6.190 -4.067 1.00 0.00 O ATOM 1478 CB PHE A 92 12.427 -4.437 -1.361 1.00 0.00 C ATOM 1479 CG PHE A 92 11.662 -3.658 -0.332 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.064 -2.456 -0.670 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.564 -4.107 0.973 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.387 -1.717 0.269 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.877 -3.369 1.918 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.294 -2.174 1.562 1.00 0.00 C ATOM 0 H PHE A 92 10.512 -5.907 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 92 11.688 -3.296 -3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.474 -5.482 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.452 -4.069 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.131 -2.095 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.028 -5.041 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.929 -0.779 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.798 -3.729 2.933 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.762 -1.594 2.301 1.00 0.00 H new ATOM 1494 N LYS A 93 13.637 -4.236 -4.349 1.00 0.00 N ATOM 1495 CA LYS A 93 14.495 -4.770 -5.383 1.00 0.00 C ATOM 1496 C LYS A 93 15.927 -4.949 -4.857 1.00 0.00 C ATOM 1497 O LYS A 93 16.754 -4.032 -4.888 1.00 0.00 O ATOM 1498 CB LYS A 93 14.409 -3.883 -6.646 1.00 0.00 C ATOM 1499 CG LYS A 93 15.032 -2.512 -6.543 1.00 0.00 C ATOM 1500 CD LYS A 93 15.170 -1.845 -7.916 1.00 0.00 C ATOM 1501 CE LYS A 93 13.838 -1.702 -8.662 1.00 0.00 C ATOM 1502 NZ LYS A 93 14.052 -1.337 -10.088 1.00 0.00 N ATOM 0 H LYS A 93 13.802 -3.257 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 93 14.154 -5.764 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.885 -4.414 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.358 -3.763 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.423 -1.884 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.014 -2.593 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.614 -0.858 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.859 -2.428 -8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.284 -2.639 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.228 -0.940 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.132 -1.248 -10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.559 -0.431 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.614 -2.077 -10.555 1.00 0.00 H new ATOM 1516 N ASN A 94 16.193 -6.143 -4.325 1.00 0.00 N ATOM 1517 CA ASN A 94 17.512 -6.506 -3.829 1.00 0.00 C ATOM 1518 C ASN A 94 17.677 -8.019 -3.803 1.00 0.00 C ATOM 1519 O ASN A 94 16.742 -8.762 -4.094 1.00 0.00 O ATOM 1520 CB ASN A 94 17.769 -5.939 -2.425 1.00 0.00 C ATOM 1521 CG ASN A 94 16.706 -6.308 -1.407 1.00 0.00 C ATOM 1522 OD1 ASN A 94 15.541 -6.512 -1.738 1.00 0.00 O ATOM 1523 ND2 ASN A 94 17.104 -6.374 -0.150 1.00 0.00 N ATOM 0 H ASN A 94 15.497 -6.882 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 94 18.242 -6.072 -4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.736 -6.296 -2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.835 -4.853 -2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.435 -6.601 0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.081 -6.198 0.086 1.00 0.00 H new ATOM 1530 N LYS A 95 18.881 -8.457 -3.463 1.00 0.00 N ATOM 1531 CA LYS A 95 19.186 -9.875 -3.308 1.00 0.00 C ATOM 1532 C LYS A 95 19.469 -10.180 -1.840 1.00 0.00 C ATOM 1533 O LYS A 95 19.786 -11.309 -1.465 1.00 0.00 O ATOM 1534 CB LYS A 95 20.404 -10.222 -4.146 1.00 0.00 C ATOM 1535 CG LYS A 95 20.241 -9.871 -5.609 1.00 0.00 C ATOM 1536 CD LYS A 95 21.520 -10.126 -6.390 1.00 0.00 C ATOM 1537 CE LYS A 95 21.345 -9.793 -7.862 1.00 0.00 C ATOM 1538 NZ LYS A 95 22.634 -9.829 -8.601 1.00 0.00 N ATOM 0 H LYS A 95 19.675 -7.841 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 95 18.335 -10.469 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.272 -9.697 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 95 20.607 -11.289 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.429 -10.459 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.959 -8.822 -5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.329 -9.526 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.811 -11.171 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 95 20.649 -10.501 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.900 -8.803 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 22.468 -9.596 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 23.290 -9.136 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 23.047 -10.781 -8.532 1.00 0.00 H new ATOM 1552 N GLU A 96 19.343 -9.143 -1.030 1.00 0.00 N ATOM 1553 CA GLU A 96 19.702 -9.177 0.383 1.00 0.00 C ATOM 1554 C GLU A 96 18.472 -9.352 1.282 1.00 0.00 C ATOM 1555 O GLU A 96 17.483 -9.964 0.874 1.00 0.00 O ATOM 1556 CB GLU A 96 20.410 -7.870 0.731 1.00 0.00 C ATOM 1557 CG GLU A 96 21.750 -7.694 0.045 1.00 0.00 C ATOM 1558 CD GLU A 96 22.748 -8.767 0.422 1.00 0.00 C ATOM 1559 OE1 GLU A 96 23.131 -8.833 1.609 1.00 0.00 O ATOM 1560 OE2 GLU A 96 23.161 -9.542 -0.463 1.00 0.00 O ATOM 0 H GLU A 96 18.983 -8.239 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 96 20.355 -10.032 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 96 19.763 -7.035 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 96 20.557 -7.824 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 96 21.604 -7.704 -1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 96 22.159 -6.717 0.303 1.00 0.00 H new ATOM 1567 N GLU A 97 18.601 -8.871 2.531 1.00 0.00 N ATOM 1568 CA GLU A 97 17.503 -8.777 3.515 1.00 0.00 C ATOM 1569 C GLU A 97 16.149 -8.369 2.890 1.00 0.00 C ATOM 1570 O GLU A 97 16.113 -7.957 1.737 1.00 0.00 O ATOM 1571 CB GLU A 97 17.905 -7.791 4.612 1.00 0.00 C ATOM 1572 CG GLU A 97 18.987 -8.320 5.540 1.00 0.00 C ATOM 1573 CD GLU A 97 18.580 -9.612 6.218 1.00 0.00 C ATOM 1574 OE1 GLU A 97 17.793 -9.554 7.185 1.00 0.00 O ATOM 1575 OE2 GLU A 97 19.032 -10.693 5.781 1.00 0.00 O ATOM 0 H GLU A 97 19.490 -8.529 2.895 1.00 0.00 H new ATOM 0 HA GLU A 97 17.349 -9.773 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.255 -6.868 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.024 -7.538 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.903 -8.483 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.212 -7.569 6.298 1.00 0.00 H new ATOM 1582 N PRO A 98 15.028 -8.405 3.670 1.00 0.00 N ATOM 1583 CA PRO A 98 13.650 -8.485 3.118 1.00 0.00 C ATOM 1584 C PRO A 98 13.443 -7.794 1.783 1.00 0.00 C ATOM 1585 O PRO A 98 13.674 -6.595 1.628 1.00 0.00 O ATOM 1586 CB PRO A 98 12.828 -7.806 4.200 1.00 0.00 C ATOM 1587 CG PRO A 98 13.498 -8.218 5.452 1.00 0.00 C ATOM 1588 CD PRO A 98 14.981 -8.198 5.145 1.00 0.00 C ATOM 0 HA PRO A 98 13.381 -9.518 2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.827 -6.722 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.787 -8.130 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.257 -7.537 6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 98 13.175 -9.212 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.439 -7.252 5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.513 -8.985 5.679 1.00 0.00 H new ATOM 1596 N ARG A 99 12.973 -8.579 0.830 1.00 0.00 N ATOM 1597 CA ARG A 99 12.741 -8.092 -0.523 1.00 0.00 C ATOM 1598 C ARG A 99 11.255 -7.822 -0.700 1.00 0.00 C ATOM 1599 O ARG A 99 10.735 -7.741 -1.816 1.00 0.00 O ATOM 1600 CB ARG A 99 13.278 -9.090 -1.569 1.00 0.00 C ATOM 1601 CG ARG A 99 14.743 -9.419 -1.305 1.00 0.00 C ATOM 1602 CD ARG A 99 15.163 -10.823 -1.755 1.00 0.00 C ATOM 1603 NE ARG A 99 15.109 -10.992 -3.206 1.00 0.00 N ATOM 1604 CZ ARG A 99 15.592 -12.058 -3.841 1.00 0.00 C ATOM 1605 NH1 ARG A 99 16.125 -13.060 -3.151 1.00 0.00 N ATOM 1606 NH2 ARG A 99 15.547 -12.127 -5.163 1.00 0.00 N ATOM 0 H ARG A 99 12.742 -9.563 0.967 1.00 0.00 H new ATOM 0 HA ARG A 99 13.285 -7.161 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.685 -10.004 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.170 -8.669 -2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.366 -8.685 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.940 -9.318 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 99 16.177 -11.023 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.513 -11.560 -1.283 1.00 0.00 H new ATOM 0 HE ARG A 99 14.678 -10.253 -3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 99 16.165 -13.014 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.494 -13.876 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.141 -11.361 -5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.919 -12.946 -5.644 1.00 0.00 H new ATOM 1620 N LYS A 100 10.575 -7.693 0.435 1.00 0.00 N ATOM 1621 CA LYS A 100 9.166 -7.342 0.467 1.00 0.00 C ATOM 1622 C LYS A 100 8.805 -6.800 1.835 1.00 0.00 C ATOM 1623 O LYS A 100 9.347 -7.241 2.851 1.00 0.00 O ATOM 1624 CB LYS A 100 8.276 -8.549 0.161 1.00 0.00 C ATOM 1625 CG LYS A 100 8.504 -9.725 1.101 1.00 0.00 C ATOM 1626 CD LYS A 100 7.308 -10.673 1.156 1.00 0.00 C ATOM 1627 CE LYS A 100 7.197 -11.576 -0.068 1.00 0.00 C ATOM 1628 NZ LYS A 100 6.663 -10.862 -1.256 1.00 0.00 N ATOM 0 H LYS A 100 10.989 -7.830 1.357 1.00 0.00 H new ATOM 0 HA LYS A 100 8.997 -6.585 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.231 -8.244 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.456 -8.873 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.386 -10.278 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.712 -9.350 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.385 -11.292 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.393 -10.088 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.180 -11.984 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.549 -12.421 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.171 -11.538 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.996 -10.126 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.447 -10.422 -1.778 1.00 0.00 H new ATOM 1642 N VAL A 101 7.911 -5.840 1.855 1.00 0.00 N ATOM 1643 CA VAL A 101 7.372 -5.335 3.096 1.00 0.00 C ATOM 1644 C VAL A 101 5.853 -5.434 3.066 1.00 0.00 C ATOM 1645 O VAL A 101 5.234 -5.240 2.015 1.00 0.00 O ATOM 1646 CB VAL A 101 7.815 -3.879 3.342 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.238 -2.943 2.288 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.444 -3.432 4.746 1.00 0.00 C ATOM 0 H VAL A 101 7.539 -5.390 1.019 1.00 0.00 H new ATOM 0 HA VAL A 101 7.757 -5.940 3.917 1.00 0.00 H new ATOM 0 HB VAL A 101 8.901 -3.836 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.567 -1.923 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.584 -3.250 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.149 -2.985 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.766 -2.402 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.364 -3.497 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.936 -4.076 5.475 1.00 0.00 H new ATOM 1658 N ARG A 102 5.256 -5.761 4.200 1.00 0.00 N ATOM 1659 CA ARG A 102 3.817 -5.881 4.270 1.00 0.00 C ATOM 1660 C ARG A 102 3.260 -4.799 5.159 1.00 0.00 C ATOM 1661 O ARG A 102 3.681 -4.643 6.306 1.00 0.00 O ATOM 1662 CB ARG A 102 3.382 -7.237 4.813 1.00 0.00 C ATOM 1663 CG ARG A 102 1.898 -7.512 4.559 1.00 0.00 C ATOM 1664 CD ARG A 102 1.424 -8.800 5.215 1.00 0.00 C ATOM 1665 NE ARG A 102 1.065 -8.581 6.616 1.00 0.00 N ATOM 1666 CZ ARG A 102 1.327 -9.428 7.607 1.00 0.00 C ATOM 1667 NH1 ARG A 102 1.940 -10.579 7.368 1.00 0.00 N ATOM 1668 NH2 ARG A 102 0.961 -9.113 8.842 1.00 0.00 N ATOM 0 H ARG A 102 5.744 -5.946 5.076 1.00 0.00 H new ATOM 0 HA ARG A 102 3.432 -5.781 3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 102 3.980 -8.021 4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.579 -7.278 5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.307 -6.677 4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.721 -7.568 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.563 -9.191 4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.209 -9.553 5.152 1.00 0.00 H new ATOM 0 HE ARG A 102 0.578 -7.716 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.216 -10.822 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.136 -11.221 8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.484 -8.230 9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.156 -9.754 9.611 1.00 0.00 H new ATOM 1682 N PHE A 103 2.326 -4.048 4.633 1.00 0.00 N ATOM 1683 CA PHE A 103 1.686 -3.010 5.400 1.00 0.00 C ATOM 1684 C PHE A 103 0.218 -3.342 5.592 1.00 0.00 C ATOM 1685 O PHE A 103 -0.576 -3.250 4.655 1.00 0.00 O ATOM 1686 CB PHE A 103 1.855 -1.662 4.707 1.00 0.00 C ATOM 1687 CG PHE A 103 3.289 -1.224 4.566 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.168 -1.304 5.636 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.745 -0.701 3.368 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.475 -0.870 5.509 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.051 -0.273 3.235 1.00 0.00 C ATOM 1692 CZ PHE A 103 5.915 -0.354 4.307 1.00 0.00 C ATOM 0 H PHE A 103 1.991 -4.137 3.674 1.00 0.00 H new ATOM 0 HA PHE A 103 2.156 -2.947 6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.402 -1.714 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.308 -0.905 5.268 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.828 -1.709 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.071 -0.627 2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.150 -0.935 6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.396 0.125 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.935 -0.014 4.206 1.00 0.00 H new ATOM 1702 N ASP A 104 -0.134 -3.761 6.800 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.514 -4.086 7.121 1.00 0.00 C ATOM 1704 C ASP A 104 -2.283 -2.801 7.346 1.00 0.00 C ATOM 1705 O ASP A 104 -2.432 -2.334 8.478 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.603 -4.980 8.366 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.775 -6.245 8.247 1.00 0.00 C ATOM 1708 OD1 ASP A 104 -1.171 -7.154 7.495 1.00 0.00 O ATOM 1709 OD2 ASP A 104 0.279 -6.341 8.916 1.00 0.00 O ATOM 0 H ASP A 104 0.519 -3.883 7.574 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.947 -4.639 6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.270 -4.415 9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.645 -5.249 8.540 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.764 -2.225 6.261 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.405 -0.934 6.320 1.00 0.00 C ATOM 1716 C TYR A 105 -4.900 -1.098 6.556 1.00 0.00 C ATOM 1717 O TYR A 105 -5.582 -1.823 5.830 1.00 0.00 O ATOM 1718 CB TYR A 105 -3.127 -0.147 5.036 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.733 1.231 5.036 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.272 2.219 5.894 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.773 1.538 4.183 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.842 3.477 5.901 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.346 2.788 4.176 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.877 3.760 5.038 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.458 5.014 5.054 1.00 0.00 O ATOM 0 H TYR A 105 -2.721 -2.635 5.328 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.994 -0.369 7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -2.049 -0.062 4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.515 -0.706 4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.455 2.001 6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.144 0.782 3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.478 4.234 6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.159 3.009 3.500 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.332 4.975 4.613 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.394 -0.446 7.595 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.800 -0.533 7.951 1.00 0.00 C ATOM 1737 C ASP A 106 -7.649 0.296 6.993 1.00 0.00 C ATOM 1738 O ASP A 106 -7.669 1.528 7.067 1.00 0.00 O ATOM 1739 CB ASP A 106 -7.014 -0.057 9.388 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.433 -0.277 9.871 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -9.300 0.582 9.613 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -8.691 -1.315 10.519 1.00 0.00 O ATOM 0 H ASP A 106 -4.840 0.151 8.209 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.109 -1.576 7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.324 -0.584 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.772 1.004 9.455 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.327 -0.379 6.080 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.219 0.285 5.148 1.00 0.00 C ATOM 1749 C LEU A 107 -10.535 0.625 5.836 1.00 0.00 C ATOM 1750 O LEU A 107 -11.361 -0.254 6.072 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.501 -0.619 3.947 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.891 -0.186 2.615 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.383 -0.346 2.620 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.509 -0.987 1.491 1.00 0.00 C ATOM 0 H LEU A 107 -8.275 -1.391 5.965 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.738 1.201 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.138 -1.620 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.581 -0.693 3.821 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.106 0.872 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.980 -0.029 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.955 0.268 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.129 -1.392 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.073 -0.677 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.315 -2.048 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.585 -0.814 1.470 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.726 1.890 6.176 1.00 0.00 N ATOM 1767 CA PHE A 108 -11.990 2.322 6.758 1.00 0.00 C ATOM 1768 C PHE A 108 -12.740 3.214 5.780 1.00 0.00 C ATOM 1769 O PHE A 108 -12.133 3.939 4.996 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.780 3.054 8.095 1.00 0.00 C ATOM 1771 CG PHE A 108 -11.042 4.365 7.993 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -11.717 5.533 7.669 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -9.680 4.436 8.243 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -11.050 6.739 7.589 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -9.010 5.642 8.168 1.00 0.00 C ATOM 1776 CZ PHE A 108 -9.695 6.793 7.840 1.00 0.00 C ATOM 0 H PHE A 108 -10.032 2.629 6.062 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.585 1.431 6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.754 3.237 8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.232 2.397 8.770 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.779 5.498 7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.137 3.538 8.499 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.588 7.639 7.330 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.949 5.683 8.366 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.171 7.735 7.780 1.00 0.00 H new ATOM 1786 N LEU A 109 -14.055 3.157 5.820 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.879 3.974 4.944 1.00 0.00 C ATOM 1788 C LEU A 109 -15.822 4.820 5.800 1.00 0.00 C ATOM 1789 O LEU A 109 -16.119 4.455 6.938 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.674 3.076 3.984 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.846 2.011 3.246 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.713 1.217 2.284 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.688 2.645 2.493 1.00 0.00 C ATOM 0 H LEU A 109 -14.581 2.552 6.451 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.249 4.633 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.460 2.575 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.166 3.708 3.244 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.444 1.331 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.103 0.471 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.509 0.719 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.151 1.891 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.119 1.869 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.075 3.355 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.039 3.166 3.196 1.00 0.00 H new ATOM 1805 N HIS A 110 -16.271 5.956 5.283 1.00 0.00 N ATOM 1806 CA HIS A 110 -17.190 6.807 6.038 1.00 0.00 C ATOM 1807 C HIS A 110 -18.625 6.602 5.575 1.00 0.00 C ATOM 1808 O HIS A 110 -18.863 6.007 4.528 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.796 8.284 5.944 1.00 0.00 C ATOM 1810 CG HIS A 110 -15.599 8.628 6.777 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -14.838 9.761 6.579 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -15.028 7.974 7.818 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -13.852 9.785 7.458 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -13.948 8.713 8.220 1.00 0.00 N ATOM 0 H HIS A 110 -16.021 6.308 4.359 1.00 0.00 H new ATOM 0 HA HIS A 110 -17.122 6.513 7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.590 8.533 4.903 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.639 8.899 6.259 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -15.363 7.043 8.250 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -13.096 10.552 7.539 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.319 8.473 8.986 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.573 7.094 6.362 1.00 0.00 N ATOM 1824 CA LEU A 111 -20.993 6.860 6.108 1.00 0.00 C ATOM 1825 C LEU A 111 -21.473 7.501 4.809 1.00 0.00 C ATOM 1826 O LEU A 111 -20.818 8.380 4.241 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.839 7.374 7.273 1.00 0.00 C ATOM 1828 CG LEU A 111 -22.597 6.290 8.038 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -23.610 5.602 7.141 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -21.627 5.273 8.598 1.00 0.00 C ATOM 0 H LEU A 111 -19.384 7.662 7.188 1.00 0.00 H new ATOM 0 HA LEU A 111 -21.115 5.781 6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -21.190 7.905 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.557 8.099 6.891 1.00 0.00 H new ATOM 0 HG LEU A 111 -23.133 6.764 8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -24.137 4.835 7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.326 6.336 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.095 5.141 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -22.178 4.505 9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -21.072 4.812 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -20.931 5.768 9.276 1.00 0.00 H new ATOM 1910 N VAL A 117 -13.112 10.432 2.743 1.00 0.00 N ATOM 1911 CA VAL A 117 -11.915 9.847 3.314 1.00 0.00 C ATOM 1912 C VAL A 117 -10.693 10.181 2.470 1.00 0.00 C ATOM 1913 O VAL A 117 -10.685 9.932 1.267 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.054 8.313 3.412 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -10.710 7.660 3.658 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.038 7.926 4.500 1.00 0.00 C ATOM 0 HA VAL A 117 -11.787 10.265 4.312 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.439 7.953 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.837 6.579 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.034 7.897 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.290 8.033 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.118 6.840 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.688 8.308 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.016 8.352 4.275 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.685 10.767 3.098 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.412 11.026 2.438 1.00 0.00 C ATOM 1928 C ASN A 118 -7.272 10.891 3.449 1.00 0.00 C ATOM 1929 O ASN A 118 -7.002 11.823 4.209 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.416 12.429 1.828 1.00 0.00 C ATOM 1931 CG ASN A 118 -7.269 12.652 0.853 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -7.469 12.634 -0.359 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -6.058 12.836 1.358 1.00 0.00 N ATOM 0 H ASN A 118 -9.724 11.074 4.070 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.266 10.299 1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.362 12.593 1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.356 13.168 2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.261 12.968 0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.923 12.846 2.369 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.607 9.737 3.474 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.565 9.494 4.468 1.00 0.00 C ATOM 1942 C HIS A 119 -4.279 8.951 3.840 1.00 0.00 C ATOM 1943 O HIS A 119 -4.325 8.201 2.865 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.072 8.509 5.518 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.210 8.444 6.741 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -4.242 7.483 6.932 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -5.165 9.241 7.836 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -3.640 7.693 8.087 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -4.179 8.752 8.655 1.00 0.00 N ATOM 0 H HIS A 119 -6.768 8.966 2.826 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.329 10.452 4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.084 8.791 5.811 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.134 7.516 5.073 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.789 10.101 8.028 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.839 7.096 8.498 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.908 9.144 9.557 1.00 0.00 H new ATOM 1958 N LEU A 120 -3.145 9.334 4.432 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.822 8.869 4.026 1.00 0.00 C ATOM 1960 C LEU A 120 -0.867 8.877 5.223 1.00 0.00 C ATOM 1961 O LEU A 120 -0.999 9.709 6.124 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.270 9.756 2.902 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.708 9.374 1.488 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.573 10.557 0.549 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.857 8.227 0.980 1.00 0.00 C ATOM 0 H LEU A 120 -3.123 9.985 5.217 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.909 7.848 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.574 10.785 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.181 9.732 2.945 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.754 9.069 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.890 10.265 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.199 11.376 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.533 10.882 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.173 7.958 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.190 8.530 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.975 7.367 1.639 1.00 0.00 H new ATOM 1977 N ARG A 121 0.082 7.942 5.234 1.00 0.00 N ATOM 1978 CA ARG A 121 1.075 7.854 6.313 1.00 0.00 C ATOM 1979 C ARG A 121 2.413 7.362 5.753 1.00 0.00 C ATOM 1980 O ARG A 121 2.448 6.434 4.941 1.00 0.00 O ATOM 1981 CB ARG A 121 0.590 6.912 7.462 1.00 0.00 C ATOM 1982 CG ARG A 121 1.405 5.618 7.636 1.00 0.00 C ATOM 1983 CD ARG A 121 0.896 4.425 6.816 1.00 0.00 C ATOM 1984 NE ARG A 121 -0.226 3.760 7.470 1.00 0.00 N ATOM 1985 CZ ARG A 121 -0.183 2.505 7.911 1.00 0.00 C ATOM 1986 NH1 ARG A 121 0.914 1.778 7.739 1.00 0.00 N ATOM 1987 NH2 ARG A 121 -1.229 1.977 8.528 1.00 0.00 N ATOM 0 H ARG A 121 0.187 7.232 4.509 1.00 0.00 H new ATOM 0 HA ARG A 121 1.205 8.851 6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.615 7.467 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.450 6.645 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.440 5.817 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.404 5.343 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.590 4.767 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.707 3.711 6.670 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.091 4.286 7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.724 2.181 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.947 0.816 8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.073 2.533 8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.191 1.015 8.864 1.00 0.00 H new ATOM 2001 N CYS A 122 3.505 7.998 6.166 1.00 0.00 N ATOM 2002 CA CYS A 122 4.840 7.562 5.762 1.00 0.00 C ATOM 2003 C CYS A 122 5.399 6.505 6.722 1.00 0.00 C ATOM 2004 O CYS A 122 5.448 6.713 7.934 1.00 0.00 O ATOM 2005 CB CYS A 122 5.785 8.758 5.696 1.00 0.00 C ATOM 2006 SG CYS A 122 5.119 10.178 4.789 1.00 0.00 S ATOM 0 H CYS A 122 3.494 8.814 6.778 1.00 0.00 H new ATOM 0 HA CYS A 122 4.759 7.110 4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 122 6.029 9.071 6.711 1.00 0.00 H new ATOM 0 HB3 CYS A 122 6.717 8.445 5.226 1.00 0.00 H new ATOM 0 HG CYS A 122 4.405 9.757 3.788 1.00 0.00 H new ATOM 2012 N GLU A 123 5.801 5.371 6.161 1.00 0.00 N ATOM 2013 CA GLU A 123 6.428 4.290 6.914 1.00 0.00 C ATOM 2014 C GLU A 123 7.938 4.359 6.755 1.00 0.00 C ATOM 2015 O GLU A 123 8.438 4.931 5.788 1.00 0.00 O ATOM 2016 CB GLU A 123 5.925 2.936 6.413 1.00 0.00 C ATOM 2017 CG GLU A 123 4.457 2.700 6.690 1.00 0.00 C ATOM 2018 CD GLU A 123 4.200 2.179 8.086 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.288 0.952 8.293 1.00 0.00 O ATOM 2020 OE2 GLU A 123 3.891 2.989 8.980 1.00 0.00 O ATOM 0 H GLU A 123 5.701 5.174 5.165 1.00 0.00 H new ATOM 0 HA GLU A 123 6.167 4.400 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.100 2.866 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.508 2.144 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.911 3.633 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.065 1.988 5.964 1.00 0.00 H new ATOM 2027 N LYS A 124 8.656 3.762 7.686 1.00 0.00 N ATOM 2028 CA LYS A 124 10.102 3.851 7.708 1.00 0.00 C ATOM 2029 C LYS A 124 10.741 2.467 7.765 1.00 0.00 C ATOM 2030 O LYS A 124 10.394 1.650 8.622 1.00 0.00 O ATOM 2031 CB LYS A 124 10.506 4.650 8.933 1.00 0.00 C ATOM 2032 CG LYS A 124 11.954 5.096 8.944 1.00 0.00 C ATOM 2033 CD LYS A 124 12.273 5.848 10.201 1.00 0.00 C ATOM 2034 CE LYS A 124 11.339 7.024 10.338 1.00 0.00 C ATOM 2035 NZ LYS A 124 11.876 8.069 11.246 1.00 0.00 N ATOM 0 H LYS A 124 8.257 3.206 8.442 1.00 0.00 H new ATOM 0 HA LYS A 124 10.446 4.337 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.867 5.531 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.318 4.048 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.607 4.227 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.151 5.728 8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 124 12.175 5.190 11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.307 6.193 10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.159 7.458 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.376 6.678 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.199 8.856 11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.024 7.664 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.782 8.420 10.874 1.00 0.00 H new ATOM 2049 N LEU A 125 11.666 2.202 6.855 1.00 0.00 N ATOM 2050 CA LEU A 125 12.384 0.935 6.850 1.00 0.00 C ATOM 2051 C LEU A 125 13.886 1.187 6.932 1.00 0.00 C ATOM 2052 O LEU A 125 14.462 1.804 6.037 1.00 0.00 O ATOM 2053 CB LEU A 125 12.052 0.165 5.574 1.00 0.00 C ATOM 2054 CG LEU A 125 10.560 0.069 5.247 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.324 0.168 3.749 1.00 0.00 C ATOM 2056 CD2 LEU A 125 9.987 -1.234 5.782 1.00 0.00 C ATOM 0 H LEU A 125 11.937 2.845 6.112 1.00 0.00 H new ATOM 0 HA LEU A 125 12.079 0.345 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.562 0.641 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.455 -0.844 5.661 1.00 0.00 H new ATOM 0 HG LEU A 125 10.052 0.905 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.256 0.097 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.701 1.123 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.845 -0.645 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.925 -1.290 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.507 -2.075 5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.118 -1.272 6.863 1.00 0.00 H new ATOM 2068 N THR A 126 14.514 0.724 8.005 1.00 0.00 N ATOM 2069 CA THR A 126 15.937 0.950 8.212 1.00 0.00 C ATOM 2070 C THR A 126 16.742 -0.305 7.895 1.00 0.00 C ATOM 2071 O THR A 126 16.451 -1.391 8.405 1.00 0.00 O ATOM 2072 CB THR A 126 16.233 1.361 9.663 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.087 2.015 10.227 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.425 2.296 9.718 1.00 0.00 C ATOM 0 H THR A 126 14.059 0.189 8.745 1.00 0.00 H new ATOM 0 HA THR A 126 16.228 1.756 7.539 1.00 0.00 H new ATOM 0 HB THR A 126 16.462 0.463 10.237 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.280 2.273 11.152 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.620 2.577 10.753 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.301 1.794 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.213 3.191 9.133 1.00 0.00 H new ATOM 2082 N PHE A 127 17.746 -0.155 7.046 1.00 0.00 N ATOM 2083 CA PHE A 127 18.617 -1.265 6.690 1.00 0.00 C ATOM 2084 C PHE A 127 20.043 -0.975 7.121 1.00 0.00 C ATOM 2085 O PHE A 127 20.726 -0.136 6.533 1.00 0.00 O ATOM 2086 CB PHE A 127 18.550 -1.523 5.187 1.00 0.00 C ATOM 2087 CG PHE A 127 17.148 -1.746 4.712 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.571 -3.005 4.756 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.395 -0.683 4.246 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.271 -3.195 4.344 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.100 -0.866 3.829 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.533 -2.123 3.879 1.00 0.00 C ATOM 0 H PHE A 127 17.979 0.727 6.589 1.00 0.00 H new ATOM 0 HA PHE A 127 18.278 -2.161 7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 127 18.981 -0.675 4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.157 -2.395 4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.146 -3.845 5.117 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.832 0.304 4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.829 -4.180 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.526 -0.028 3.462 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.513 -2.269 3.555 1.00 0.00 H new ATOM 2102 N ASN A 128 20.474 -1.663 8.165 1.00 0.00 N ATOM 2103 CA ASN A 128 21.786 -1.434 8.747 1.00 0.00 C ATOM 2104 C ASN A 128 22.881 -2.107 7.926 1.00 0.00 C ATOM 2105 O ASN A 128 22.892 -3.331 7.775 1.00 0.00 O ATOM 2106 CB ASN A 128 21.823 -1.944 10.185 1.00 0.00 C ATOM 2107 CG ASN A 128 20.934 -1.137 11.114 1.00 0.00 C ATOM 2108 OD1 ASN A 128 21.381 -0.172 11.733 1.00 0.00 O ATOM 2109 ND2 ASN A 128 19.672 -1.523 11.220 1.00 0.00 N ATOM 0 H ASN A 128 19.930 -2.390 8.630 1.00 0.00 H new ATOM 0 HA ASN A 128 21.971 -0.360 8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.510 -2.988 10.204 1.00 0.00 H new ATOM 0 HB3 ASN A 128 22.849 -1.912 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.033 -1.015 11.831 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.339 -2.328 10.690 1.00 0.00 H new ATOM 2116 N ASN A 129 23.784 -1.286 7.397 1.00 0.00 N ATOM 2117 CA ASN A 129 24.950 -1.751 6.637 1.00 0.00 C ATOM 2118 C ASN A 129 24.552 -2.636 5.455 1.00 0.00 C ATOM 2119 O ASN A 129 24.817 -3.840 5.447 1.00 0.00 O ATOM 2120 CB ASN A 129 25.938 -2.494 7.547 1.00 0.00 C ATOM 2121 CG ASN A 129 26.470 -1.614 8.663 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.440 -0.875 8.479 1.00 0.00 O ATOM 2123 ND2 ASN A 129 25.855 -1.700 9.832 1.00 0.00 N ATOM 0 H ASN A 129 23.731 -0.271 7.482 1.00 0.00 H new ATOM 0 HA ASN A 129 25.439 -0.864 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.446 -3.365 7.978 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.772 -2.862 6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 129 26.180 -1.142 10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 129 25.056 -2.324 9.943 1.00 0.00 H new ATOM 2130 N PRO A 130 23.915 -2.047 4.431 1.00 0.00 N ATOM 2131 CA PRO A 130 23.504 -2.775 3.237 1.00 0.00 C ATOM 2132 C PRO A 130 24.621 -2.846 2.191 1.00 0.00 C ATOM 2133 O PRO A 130 25.491 -1.970 2.137 1.00 0.00 O ATOM 2134 CB PRO A 130 22.334 -1.934 2.732 1.00 0.00 C ATOM 2135 CG PRO A 130 22.680 -0.534 3.116 1.00 0.00 C ATOM 2136 CD PRO A 130 23.539 -0.622 4.356 1.00 0.00 C ATOM 0 HA PRO A 130 23.250 -3.816 3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.214 -2.030 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.395 -2.249 3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 130 23.215 -0.033 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.779 0.048 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.417 0.019 4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 130 22.991 -0.307 5.244 1.00 0.00 H new ATOM 2144 N THR A 131 24.593 -3.898 1.374 1.00 0.00 N ATOM 2145 CA THR A 131 25.589 -4.088 0.316 1.00 0.00 C ATOM 2146 C THR A 131 25.492 -2.952 -0.700 1.00 0.00 C ATOM 2147 O THR A 131 24.452 -2.289 -0.777 1.00 0.00 O ATOM 2148 CB THR A 131 25.419 -5.451 -0.418 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.510 -5.666 -1.325 1.00 0.00 O ATOM 2150 CG2 THR A 131 24.109 -5.497 -1.196 1.00 0.00 C ATOM 0 H THR A 131 23.890 -4.635 1.424 1.00 0.00 H new ATOM 0 HA THR A 131 26.569 -4.086 0.793 1.00 0.00 H new ATOM 0 HB THR A 131 25.408 -6.235 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 131 26.393 -6.526 -1.779 1.00 0.00 H new ATOM 0 HG21 THR A 131 24.018 -6.460 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.273 -5.365 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 131 24.098 -4.699 -1.938 1.00 0.00 H new ATOM 2158 N GLU A 132 26.558 -2.734 -1.476 1.00 0.00 N ATOM 2159 CA GLU A 132 26.613 -1.605 -2.412 1.00 0.00 C ATOM 2160 C GLU A 132 25.364 -1.561 -3.284 1.00 0.00 C ATOM 2161 O GLU A 132 24.741 -0.526 -3.390 1.00 0.00 O ATOM 2162 CB GLU A 132 27.849 -1.671 -3.312 1.00 0.00 C ATOM 2163 CG GLU A 132 28.094 -0.395 -4.109 1.00 0.00 C ATOM 2164 CD GLU A 132 28.566 0.755 -3.245 1.00 0.00 C ATOM 2165 OE1 GLU A 132 29.547 0.575 -2.495 1.00 0.00 O ATOM 2166 OE2 GLU A 132 27.967 1.848 -3.320 1.00 0.00 O ATOM 0 H GLU A 132 27.392 -3.321 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 132 26.670 -0.699 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.725 -1.879 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.740 -2.506 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.837 -0.592 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.174 -0.107 -4.618 1.00 0.00 H new ATOM 2173 N ASP A 133 24.985 -2.696 -3.872 1.00 0.00 N ATOM 2174 CA ASP A 133 23.838 -2.755 -4.791 1.00 0.00 C ATOM 2175 C ASP A 133 22.569 -2.166 -4.165 1.00 0.00 C ATOM 2176 O ASP A 133 21.908 -1.301 -4.755 1.00 0.00 O ATOM 2177 CB ASP A 133 23.561 -4.201 -5.215 1.00 0.00 C ATOM 2178 CG ASP A 133 24.649 -4.776 -6.099 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.639 -5.313 -5.558 1.00 0.00 O ATOM 2180 OD2 ASP A 133 24.515 -4.698 -7.341 1.00 0.00 O ATOM 0 H ASP A 133 25.454 -3.591 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 133 24.102 -2.156 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.458 -4.822 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.609 -4.243 -5.745 1.00 0.00 H new ATOM 2185 N PHE A 134 22.229 -2.635 -2.969 1.00 0.00 N ATOM 2186 CA PHE A 134 21.031 -2.166 -2.280 1.00 0.00 C ATOM 2187 C PHE A 134 21.210 -0.711 -1.871 1.00 0.00 C ATOM 2188 O PHE A 134 20.377 0.141 -2.182 1.00 0.00 O ATOM 2189 CB PHE A 134 20.741 -3.027 -1.048 1.00 0.00 C ATOM 2190 CG PHE A 134 19.337 -2.867 -0.531 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.279 -2.682 -1.411 1.00 0.00 C ATOM 2192 CD2 PHE A 134 19.067 -2.919 0.827 1.00 0.00 C ATOM 2193 CE1 PHE A 134 16.990 -2.551 -0.948 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.774 -2.784 1.295 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.734 -2.599 0.405 1.00 0.00 C ATOM 0 H PHE A 134 22.764 -3.337 -2.458 1.00 0.00 H new ATOM 0 HA PHE A 134 20.183 -2.248 -2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 134 20.913 -4.074 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.445 -2.767 -0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.470 -2.640 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.876 -3.067 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.178 -2.410 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.577 -2.823 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.723 -2.492 0.769 1.00 0.00 H new ATOM 2205 N ARG A 135 22.322 -0.460 -1.191 1.00 0.00 N ATOM 2206 CA ARG A 135 22.755 0.881 -0.799 1.00 0.00 C ATOM 2207 C ARG A 135 22.626 1.863 -1.961 1.00 0.00 C ATOM 2208 O ARG A 135 21.998 2.909 -1.846 1.00 0.00 O ATOM 2209 CB ARG A 135 24.196 0.767 -0.318 1.00 0.00 C ATOM 2210 CG ARG A 135 24.979 2.071 -0.315 1.00 0.00 C ATOM 2211 CD ARG A 135 25.491 2.390 1.079 1.00 0.00 C ATOM 2212 NE ARG A 135 25.952 1.183 1.772 1.00 0.00 N ATOM 2213 CZ ARG A 135 26.911 1.165 2.697 1.00 0.00 C ATOM 2214 NH1 ARG A 135 27.596 2.266 2.972 1.00 0.00 N ATOM 2215 NH2 ARG A 135 27.206 0.028 3.318 1.00 0.00 N ATOM 0 H ARG A 135 22.962 -1.195 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 135 22.123 1.271 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 135 24.194 0.360 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.718 0.049 -0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 135 25.818 1.998 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 135 24.343 2.883 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 135 26.309 3.107 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 135 24.699 2.864 1.659 1.00 0.00 H new ATOM 0 HE ARG A 135 25.509 0.297 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 135 27.390 3.132 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 135 28.329 2.247 3.681 1.00 0.00 H new ATOM 0 HH21 ARG A 135 26.699 -0.826 3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 135 27.939 0.009 4.027 1.00 0.00 H new ATOM 2229 N ARG A 136 23.174 1.457 -3.082 1.00 0.00 N ATOM 2230 CA ARG A 136 23.241 2.244 -4.303 1.00 0.00 C ATOM 2231 C ARG A 136 21.855 2.702 -4.763 1.00 0.00 C ATOM 2232 O ARG A 136 21.663 3.859 -5.149 1.00 0.00 O ATOM 2233 CB ARG A 136 23.916 1.357 -5.348 1.00 0.00 C ATOM 2234 CG ARG A 136 24.045 1.906 -6.743 1.00 0.00 C ATOM 2235 CD ARG A 136 24.369 0.767 -7.693 1.00 0.00 C ATOM 2236 NE ARG A 136 23.186 -0.009 -8.069 1.00 0.00 N ATOM 2237 CZ ARG A 136 23.185 -1.339 -8.185 1.00 0.00 C ATOM 2238 NH1 ARG A 136 24.284 -2.032 -7.917 1.00 0.00 N ATOM 2239 NH2 ARG A 136 22.089 -1.977 -8.569 1.00 0.00 N ATOM 0 H ARG A 136 23.603 0.537 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 136 23.809 3.160 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 136 24.916 1.114 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 136 23.361 0.421 -5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 136 23.118 2.394 -7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 136 24.830 2.662 -6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 136 24.835 1.171 -8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 136 25.099 0.106 -7.226 1.00 0.00 H new ATOM 0 HE ARG A 136 22.317 0.493 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 136 25.132 -1.549 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 136 24.281 -3.048 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 136 21.240 -1.452 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 136 22.094 -2.993 -8.656 1.00 0.00 H new ATOM 2253 N LYS A 137 20.886 1.804 -4.709 1.00 0.00 N ATOM 2254 CA LYS A 137 19.532 2.144 -5.123 1.00 0.00 C ATOM 2255 C LYS A 137 18.823 2.989 -4.066 1.00 0.00 C ATOM 2256 O LYS A 137 18.166 3.980 -4.393 1.00 0.00 O ATOM 2257 CB LYS A 137 18.728 0.884 -5.436 1.00 0.00 C ATOM 2258 CG LYS A 137 19.219 0.172 -6.694 1.00 0.00 C ATOM 2259 CD LYS A 137 18.371 -1.038 -7.052 1.00 0.00 C ATOM 2260 CE LYS A 137 18.972 -2.330 -6.528 1.00 0.00 C ATOM 2261 NZ LYS A 137 18.979 -2.390 -5.046 1.00 0.00 N ATOM 0 H LYS A 137 21.007 0.844 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 137 19.604 2.740 -6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.787 0.200 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.678 1.149 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.215 0.873 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.252 -0.144 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 137 17.369 -0.912 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 137 18.267 -1.100 -8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 137 18.407 -3.176 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.993 -2.429 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.429 -3.275 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 19.511 -1.580 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.001 -2.357 -4.693 1.00 0.00 H new ATOM 2275 N LEU A 138 18.969 2.596 -2.802 1.00 0.00 N ATOM 2276 CA LEU A 138 18.399 3.351 -1.682 1.00 0.00 C ATOM 2277 C LEU A 138 18.875 4.809 -1.698 1.00 0.00 C ATOM 2278 O LEU A 138 18.141 5.714 -1.297 1.00 0.00 O ATOM 2279 CB LEU A 138 18.777 2.710 -0.344 1.00 0.00 C ATOM 2280 CG LEU A 138 18.418 1.229 -0.179 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.582 0.802 1.271 1.00 0.00 C ATOM 2282 CD2 LEU A 138 17.007 0.946 -0.660 1.00 0.00 C ATOM 0 H LEU A 138 19.478 1.757 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 138 17.315 3.332 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.852 2.820 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.292 3.271 0.454 1.00 0.00 H new ATOM 0 HG LEU A 138 19.103 0.647 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.323 -0.252 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.616 0.953 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.924 1.399 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.784 -0.113 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.299 1.540 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.923 1.207 -1.715 1.00 0.00 H new ATOM 2294 N LEU A 139 20.105 5.027 -2.162 1.00 0.00 N ATOM 2295 CA LEU A 139 20.688 6.366 -2.232 1.00 0.00 C ATOM 2296 C LEU A 139 20.116 7.162 -3.402 1.00 0.00 C ATOM 2297 O LEU A 139 19.886 8.368 -3.287 1.00 0.00 O ATOM 2298 CB LEU A 139 22.207 6.270 -2.369 1.00 0.00 C ATOM 2299 CG LEU A 139 22.901 5.511 -1.245 1.00 0.00 C ATOM 2300 CD1 LEU A 139 24.369 5.290 -1.567 1.00 0.00 C ATOM 2301 CD2 LEU A 139 22.736 6.255 0.065 1.00 0.00 C ATOM 0 H LEU A 139 20.721 4.287 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 139 20.436 6.888 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.443 5.785 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.618 7.278 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 139 22.434 4.531 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.843 4.746 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.457 4.712 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.862 6.253 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 139 23.236 5.704 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 139 23.178 7.248 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.676 6.349 0.299 1.00 0.00 H new ATOM 2313 N LYS A 140 19.897 6.487 -4.527 1.00 0.00 N ATOM 2314 CA LYS A 140 19.333 7.130 -5.713 1.00 0.00 C ATOM 2315 C LYS A 140 17.913 7.601 -5.453 1.00 0.00 C ATOM 2316 O LYS A 140 17.394 8.471 -6.151 1.00 0.00 O ATOM 2317 CB LYS A 140 19.334 6.185 -6.905 1.00 0.00 C ATOM 2318 CG LYS A 140 20.097 6.719 -8.103 1.00 0.00 C ATOM 2319 CD LYS A 140 20.387 5.613 -9.099 1.00 0.00 C ATOM 2320 CE LYS A 140 21.799 5.071 -8.954 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.291 5.081 -7.546 1.00 0.00 N ATOM 0 H LYS A 140 20.101 5.494 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 140 19.962 7.991 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.769 5.233 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.304 5.985 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.518 7.506 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 140 21.033 7.169 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.672 4.803 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 140 20.246 5.991 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 140 21.830 4.050 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 140 22.474 5.663 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.224 4.623 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.371 6.063 -7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 21.622 4.564 -6.941 1.00 0.00 H new ATOM 2335 N ALA A 141 17.277 6.994 -4.473 1.00 0.00 N ATOM 2336 CA ALA A 141 15.932 7.372 -4.090 1.00 0.00 C ATOM 2337 C ALA A 141 15.939 8.610 -3.196 1.00 0.00 C ATOM 2338 O ALA A 141 15.819 9.733 -3.732 1.00 0.00 O ATOM 2339 CB ALA A 141 15.259 6.211 -3.397 1.00 0.00 C ATOM 2340 OXT ALA A 141 16.079 8.456 -1.964 1.00 0.00 O ATOM 0 H ALA A 141 17.673 6.231 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 141 15.370 7.624 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.247 6.496 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.217 5.358 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.827 5.940 -2.507 1.00 0.00 H new ATOM 2385 N ALA B 215 -18.396 3.806 8.560 1.00 0.00 N ATOM 2386 CA ALA B 215 -19.104 2.757 7.833 1.00 0.00 C ATOM 2387 C ALA B 215 -18.799 1.387 8.436 1.00 0.00 C ATOM 2388 O ALA B 215 -17.738 1.192 9.036 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.725 2.790 6.359 1.00 0.00 C ATOM 0 HA ALA B 215 -20.176 2.937 7.920 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.260 2.003 5.828 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -18.992 3.759 5.936 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.651 2.632 6.256 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.728 0.428 8.288 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.595 -0.917 8.871 1.00 0.00 C ATOM 2397 C PRO B 216 -18.418 -1.716 8.304 1.00 0.00 C ATOM 2398 O PRO B 216 -17.754 -1.299 7.352 1.00 0.00 O ATOM 2399 CB PRO B 216 -20.920 -1.597 8.512 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.442 -0.834 7.347 1.00 0.00 C ATOM 2401 CD PRO B 216 -20.994 0.581 7.550 1.00 0.00 C ATOM 0 HA PRO B 216 -19.395 -0.862 9.941 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.769 -2.647 8.260 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.618 -1.567 9.348 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -21.054 -1.236 6.411 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.529 -0.896 7.295 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -20.848 1.098 6.601 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.724 1.158 8.118 1.00 0.00 H new ATOM 2409 N ARG B 217 -18.176 -2.879 8.896 1.00 0.00 N ATOM 2410 CA ARG B 217 -17.056 -3.725 8.514 1.00 0.00 C ATOM 2411 C ARG B 217 -17.492 -5.186 8.499 1.00 0.00 C ATOM 2412 O ARG B 217 -18.343 -5.599 9.284 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.893 -3.507 9.493 1.00 0.00 C ATOM 2414 CG ARG B 217 -14.690 -4.408 9.255 1.00 0.00 C ATOM 2415 CD ARG B 217 -13.471 -3.931 10.030 1.00 0.00 C ATOM 2416 NE ARG B 217 -13.087 -2.570 9.653 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.840 -2.098 9.697 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -10.839 -2.871 10.098 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -11.601 -0.842 9.337 1.00 0.00 N ATOM 0 H ARG B 217 -18.748 -3.259 9.650 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.720 -3.461 7.511 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -15.571 -2.468 9.429 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -16.255 -3.666 10.509 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -14.934 -5.428 9.552 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -14.458 -4.433 8.190 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -13.683 -3.966 11.099 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -12.636 -4.608 9.848 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.823 -1.939 9.335 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -11.019 -3.836 10.376 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -9.889 -2.501 10.128 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -12.369 -0.245 9.029 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -10.650 -0.475 9.368 1.00 0.00 H new