USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS : no HD1:sc= -3.25! C(o=-6.7!,f=-8.3!) USER MOD Set 1.2: A 148 CYS SG : rot 111:sc= -3.49! USER MOD Set 2.1: A 86 ASN : amide:sc= -4.38! C(o=-4.9!,f=-17!) USER MOD Set 2.2: A 95 THR OG1 : rot -92:sc= -0.475! USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.264 K(o=-0.26,f=-1.1) USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 31:sc= -2.69 USER MOD Single : A 35 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.71) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 59 THR OG1 : rot 68:sc= -2.75! USER MOD Single : A 64 THR OG1 : rot 78:sc= -4.86! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.57! C(o=-1.6!,f=-7.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= -4.71! (180deg=-6.97!) USER MOD Single : A 98 TYR OH : rot 173:sc= -0.54 USER MOD Single : A 104 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0371) USER MOD Single : A 106 TYR OH : rot -17:sc= 0.0124 USER MOD Single : A 113 SER OG : rot -130:sc= 0.81 USER MOD Single : A 114 HIS : no HD1:sc= -0.0778 X(o=-0.078,f=-0.076) USER MOD Single : A 116 HIS : no HD1:sc= -3.65 K(o=-3.6,f=-6.1!) USER MOD Single : A 117 GLN : amide:sc= -5.27! C(o=-5.3!,f=-5.2!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -0.414 USER MOD Single : A 129 GLN :FLIP amide:sc= -11! C(o=-15!,f=-11!) USER MOD Single : A 132 GLN :FLIP amide:sc= -4.61! C(o=-6.6!,f=-4.6!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -156:sc= -1.48 (180deg=-3.59) USER MOD Single : A 137 LYS NZ :NH3+ 178:sc= -5.21! (180deg=-5.29!) USER MOD Single : A 141 GLN :FLIP amide:sc= -1.38 F(o=-6.4!,f=-1.4) USER MOD Single : A 145 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.16) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.839 -8.041 5.068 1.00 0.00 N ATOM 87 CA LEU A 8 6.523 -8.436 4.515 1.00 0.00 C ATOM 88 C LEU A 8 5.836 -7.214 3.897 1.00 0.00 C ATOM 89 O LEU A 8 5.881 -6.125 4.438 1.00 0.00 O ATOM 90 CB LEU A 8 5.654 -8.993 5.646 1.00 0.00 C ATOM 91 CG LEU A 8 6.532 -9.697 6.689 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.339 -8.664 7.469 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.640 -10.460 7.662 1.00 0.00 C ATOM 0 HA LEU A 8 6.661 -9.196 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.094 -8.185 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.923 -9.694 5.242 1.00 0.00 H new ATOM 0 HG LEU A 8 7.210 -10.383 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.960 -9.170 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.975 -8.105 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.660 -7.978 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.259 -10.962 8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.967 -9.763 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.056 -11.201 7.116 1.00 0.00 H new ATOM 105 N ARG A 9 5.198 -7.383 2.770 1.00 0.00 N ATOM 106 CA ARG A 9 4.506 -6.231 2.122 1.00 0.00 C ATOM 107 C ARG A 9 3.065 -6.157 2.635 1.00 0.00 C ATOM 108 O ARG A 9 2.394 -7.163 2.766 1.00 0.00 O ATOM 109 CB ARG A 9 4.496 -6.430 0.607 1.00 0.00 C ATOM 110 CG ARG A 9 4.057 -5.131 -0.073 1.00 0.00 C ATOM 111 CD ARG A 9 3.934 -5.364 -1.580 1.00 0.00 C ATOM 112 NE ARG A 9 3.773 -4.054 -2.268 1.00 0.00 N ATOM 113 CZ ARG A 9 4.793 -3.247 -2.368 1.00 0.00 C ATOM 114 NH1 ARG A 9 5.950 -3.597 -1.877 1.00 0.00 N ATOM 115 NH2 ARG A 9 4.658 -2.090 -2.960 1.00 0.00 N ATOM 0 H ARG A 9 5.126 -8.269 2.270 1.00 0.00 H new ATOM 0 HA ARG A 9 5.030 -5.306 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.489 -6.718 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.818 -7.241 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.102 -4.799 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.781 -4.341 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.820 -5.878 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.079 -6.007 -1.792 1.00 0.00 H new ATOM 0 HE ARG A 9 2.869 -3.789 -2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.056 -4.501 -1.416 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.749 -2.967 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.754 -1.816 -3.345 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.457 -1.460 -3.037 1.00 0.00 H new ATOM 129 N ALA A 10 2.577 -4.981 2.930 1.00 0.00 N ATOM 130 CA ALA A 10 1.178 -4.868 3.437 1.00 0.00 C ATOM 131 C ALA A 10 0.537 -3.576 2.940 1.00 0.00 C ATOM 132 O ALA A 10 1.208 -2.599 2.670 1.00 0.00 O ATOM 133 CB ALA A 10 1.189 -4.842 4.964 1.00 0.00 C ATOM 0 H ALA A 10 3.083 -4.099 2.843 1.00 0.00 H new ATOM 0 HA ALA A 10 0.609 -5.724 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.167 -4.759 5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.638 -5.761 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.770 -3.987 5.309 1.00 0.00 H new ATOM 139 N CYS A 11 -0.761 -3.564 2.835 1.00 0.00 N ATOM 140 CA CYS A 11 -1.452 -2.332 2.379 1.00 0.00 C ATOM 141 C CYS A 11 -2.801 -2.217 3.086 1.00 0.00 C ATOM 142 O CYS A 11 -3.633 -3.099 3.010 1.00 0.00 O ATOM 143 CB CYS A 11 -1.670 -2.401 0.867 1.00 0.00 C ATOM 144 SG CYS A 11 -0.311 -1.552 0.024 1.00 0.00 S ATOM 0 H CYS A 11 -1.371 -4.354 3.045 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.842 -1.461 2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.721 -3.440 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.621 -1.938 0.604 1.00 0.00 H new ATOM 0 HG CYS A 11 0.775 -1.664 0.730 1.00 0.00 H new ATOM 150 N GLY A 12 -3.026 -1.129 3.770 1.00 0.00 N ATOM 151 CA GLY A 12 -4.322 -0.942 4.482 1.00 0.00 C ATOM 152 C GLY A 12 -4.974 0.340 3.980 1.00 0.00 C ATOM 153 O GLY A 12 -4.412 1.042 3.163 1.00 0.00 O ATOM 0 H GLY A 12 -2.365 -0.358 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.978 -1.794 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.157 -0.886 5.558 1.00 0.00 H new ATOM 157 N LEU A 13 -6.154 0.653 4.444 1.00 0.00 N ATOM 158 CA LEU A 13 -6.817 1.893 3.957 1.00 0.00 C ATOM 159 C LEU A 13 -7.174 2.818 5.121 1.00 0.00 C ATOM 160 O LEU A 13 -8.000 2.492 5.951 1.00 0.00 O ATOM 161 CB LEU A 13 -8.121 1.527 3.229 1.00 0.00 C ATOM 162 CG LEU A 13 -8.054 1.952 1.755 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.443 1.861 1.116 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.561 3.397 1.648 1.00 0.00 C ATOM 0 H LEU A 13 -6.680 0.111 5.130 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.124 2.401 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.292 0.453 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.965 2.015 3.716 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.365 1.285 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.383 2.165 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.804 0.834 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.131 2.519 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.517 3.690 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.247 4.056 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.567 3.476 2.089 1.00 0.00 H new ATOM 176 N ILE A 14 -6.618 3.997 5.151 1.00 0.00 N ATOM 177 CA ILE A 14 -7.010 4.950 6.216 1.00 0.00 C ATOM 178 C ILE A 14 -8.271 5.628 5.707 1.00 0.00 C ATOM 179 O ILE A 14 -8.264 6.329 4.717 1.00 0.00 O ATOM 180 CB ILE A 14 -5.895 5.966 6.482 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.736 5.246 7.181 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.420 7.083 7.385 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.544 6.191 7.318 1.00 0.00 C ATOM 0 H ILE A 14 -5.918 4.336 4.491 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.186 4.446 7.167 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.555 6.400 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.052 4.900 8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.448 4.363 6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.624 7.804 7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.256 7.584 6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.755 6.659 8.331 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.724 5.673 7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.221 6.515 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.835 7.060 7.908 1.00 0.00 H new ATOM 195 N ILE A 15 -9.369 5.351 6.334 1.00 0.00 N ATOM 196 CA ILE A 15 -10.662 5.892 5.857 1.00 0.00 C ATOM 197 C ILE A 15 -11.100 7.086 6.687 1.00 0.00 C ATOM 198 O ILE A 15 -10.966 7.106 7.894 1.00 0.00 O ATOM 199 CB ILE A 15 -11.670 4.760 5.979 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.276 3.652 5.002 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.085 5.242 5.677 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.974 2.351 5.388 1.00 0.00 C ATOM 0 H ILE A 15 -9.428 4.766 7.167 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.577 6.243 4.828 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.662 4.385 7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.551 3.936 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.195 3.513 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.781 4.409 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.360 6.028 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.127 5.634 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.690 1.564 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.677 2.064 6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.054 2.494 5.354 1.00 0.00 H new ATOM 214 N PHE A 16 -11.628 8.083 6.038 1.00 0.00 N ATOM 215 CA PHE A 16 -12.083 9.288 6.769 1.00 0.00 C ATOM 216 C PHE A 16 -13.384 9.806 6.154 1.00 0.00 C ATOM 217 O PHE A 16 -13.431 10.151 4.993 1.00 0.00 O ATOM 218 CB PHE A 16 -11.010 10.366 6.654 1.00 0.00 C ATOM 219 CG PHE A 16 -10.932 10.853 5.224 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.135 10.173 4.294 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.660 11.985 4.827 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.063 10.625 2.971 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.585 12.435 3.504 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.787 11.755 2.575 1.00 0.00 C ATOM 0 H PHE A 16 -11.763 8.112 5.027 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.256 9.038 7.816 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.242 11.197 7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.045 9.968 6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.576 9.300 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.278 12.508 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.448 10.101 2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.143 13.308 3.199 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.731 12.103 1.554 1.00 0.00 H new ATOM 234 N ARG A 17 -14.431 9.897 6.926 1.00 0.00 N ATOM 235 CA ARG A 17 -15.708 10.427 6.373 1.00 0.00 C ATOM 236 C ARG A 17 -15.666 11.954 6.466 1.00 0.00 C ATOM 237 O ARG A 17 -15.607 12.512 7.543 1.00 0.00 O ATOM 238 CB ARG A 17 -16.890 9.894 7.193 1.00 0.00 C ATOM 239 CG ARG A 17 -18.205 10.461 6.637 1.00 0.00 C ATOM 240 CD ARG A 17 -18.570 9.751 5.333 1.00 0.00 C ATOM 241 NE ARG A 17 -19.509 10.599 4.547 1.00 0.00 N ATOM 242 CZ ARG A 17 -20.791 10.558 4.787 1.00 0.00 C ATOM 243 NH1 ARG A 17 -21.258 9.771 5.715 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.606 11.301 4.091 1.00 0.00 N ATOM 0 H ARG A 17 -14.458 9.629 7.910 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.831 10.111 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.908 8.805 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.775 10.176 8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -19.004 10.332 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.104 11.532 6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.670 9.552 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.029 8.786 5.549 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.148 11.214 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.621 9.186 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -22.260 9.741 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.241 11.913 3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.608 11.271 4.277 1.00 0.00 H new ATOM 258 N ARG A 18 -15.690 12.642 5.357 1.00 0.00 N ATOM 259 CA ARG A 18 -15.642 14.133 5.419 1.00 0.00 C ATOM 260 C ARG A 18 -17.061 14.688 5.570 1.00 0.00 C ATOM 261 O ARG A 18 -17.982 14.254 4.907 1.00 0.00 O ATOM 262 CB ARG A 18 -15.003 14.686 4.141 1.00 0.00 C ATOM 263 CG ARG A 18 -14.873 16.208 4.250 1.00 0.00 C ATOM 264 CD ARG A 18 -14.058 16.737 3.070 1.00 0.00 C ATOM 265 NE ARG A 18 -14.809 16.510 1.805 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.715 17.367 1.425 1.00 0.00 C ATOM 267 NH1 ARG A 18 -15.967 18.418 2.155 1.00 0.00 N ATOM 268 NH2 ARG A 18 -16.367 17.174 0.311 1.00 0.00 N ATOM 0 H ARG A 18 -15.740 12.243 4.420 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.043 14.437 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.022 14.237 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.611 14.424 3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.861 16.668 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.389 16.476 5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.858 17.800 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.092 16.234 3.027 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.615 15.686 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.455 18.570 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.676 19.088 1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.167 16.353 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.076 17.844 0.013 1.00 0.00 H new ATOM 434 N ILE A 29 -13.853 15.664 10.837 1.00 0.00 N ATOM 435 CA ILE A 29 -13.574 14.403 10.099 1.00 0.00 C ATOM 436 C ILE A 29 -13.408 13.239 11.068 1.00 0.00 C ATOM 437 O ILE A 29 -12.796 13.359 12.111 1.00 0.00 O ATOM 438 CB ILE A 29 -12.295 14.569 9.281 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.588 15.437 8.055 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.798 13.200 8.827 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.292 16.089 7.576 1.00 0.00 C ATOM 0 HA ILE A 29 -14.414 14.190 9.438 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.530 15.046 9.893 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.018 14.829 7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.323 16.202 8.304 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.885 13.319 8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.592 12.580 9.699 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.561 12.721 8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.497 16.708 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.881 16.710 8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.572 15.315 7.311 1.00 0.00 H new ATOM 453 N GLU A 30 -13.945 12.105 10.712 1.00 0.00 N ATOM 454 CA GLU A 30 -13.827 10.904 11.583 1.00 0.00 C ATOM 455 C GLU A 30 -13.140 9.797 10.780 1.00 0.00 C ATOM 456 O GLU A 30 -13.179 9.800 9.569 1.00 0.00 O ATOM 457 CB GLU A 30 -15.224 10.444 12.006 1.00 0.00 C ATOM 458 CG GLU A 30 -15.909 11.552 12.814 1.00 0.00 C ATOM 459 CD GLU A 30 -17.285 11.068 13.275 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.944 11.813 13.983 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.656 9.963 12.915 1.00 0.00 O ATOM 0 H GLU A 30 -14.465 11.959 9.847 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.246 11.136 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.820 10.201 11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.153 9.535 12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.298 11.820 13.676 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.012 12.450 12.205 1.00 0.00 H new ATOM 469 N PHE A 31 -12.501 8.858 11.434 1.00 0.00 N ATOM 470 CA PHE A 31 -11.806 7.770 10.675 1.00 0.00 C ATOM 471 C PHE A 31 -12.411 6.403 11.024 1.00 0.00 C ATOM 472 O PHE A 31 -12.929 6.199 12.104 1.00 0.00 O ATOM 473 CB PHE A 31 -10.316 7.757 11.037 1.00 0.00 C ATOM 474 CG PHE A 31 -9.664 9.065 10.641 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.231 9.269 9.324 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.483 10.070 11.598 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.622 10.481 8.968 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.874 11.277 11.239 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.442 11.479 9.927 1.00 0.00 C ATOM 0 H PHE A 31 -12.430 8.797 12.450 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.931 7.960 9.609 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.197 7.594 12.108 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.820 6.929 10.531 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.366 8.494 8.584 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.814 9.914 12.614 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.292 10.642 7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.738 12.053 11.977 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.967 12.410 9.653 1.00 0.00 H new ATOM 489 N LEU A 32 -12.328 5.455 10.119 1.00 0.00 N ATOM 490 CA LEU A 32 -12.875 4.096 10.410 1.00 0.00 C ATOM 491 C LEU A 32 -11.821 3.303 11.176 1.00 0.00 C ATOM 492 O LEU A 32 -10.687 3.197 10.755 1.00 0.00 O ATOM 493 CB LEU A 32 -13.203 3.366 9.099 1.00 0.00 C ATOM 494 CG LEU A 32 -13.562 1.906 9.397 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.706 1.850 10.409 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.003 1.210 8.108 1.00 0.00 C ATOM 0 H LEU A 32 -11.907 5.566 9.197 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.787 4.188 11.000 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.034 3.859 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.349 3.410 8.423 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.686 1.403 9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.957 0.810 10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.399 2.341 11.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.579 2.359 10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.257 0.172 8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.875 1.720 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.191 1.241 7.382 1.00 0.00 H new ATOM 508 N LEU A 33 -12.180 2.748 12.299 1.00 0.00 N ATOM 509 CA LEU A 33 -11.192 1.966 13.095 1.00 0.00 C ATOM 510 C LEU A 33 -11.772 0.597 13.445 1.00 0.00 C ATOM 511 O LEU A 33 -12.903 0.482 13.869 1.00 0.00 O ATOM 512 CB LEU A 33 -10.864 2.723 14.383 1.00 0.00 C ATOM 513 CG LEU A 33 -9.727 3.717 14.126 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.682 4.745 15.255 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.392 2.968 14.081 1.00 0.00 C ATOM 0 H LEU A 33 -13.116 2.802 12.701 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.285 1.831 12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.748 3.252 14.740 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.575 2.021 15.165 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.899 4.221 13.175 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.873 5.452 15.071 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.630 5.281 15.297 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.511 4.236 16.204 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.584 3.676 13.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.225 2.465 15.033 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.416 2.230 13.280 1.00 0.00 H new ATOM 527 N LEU A 34 -11.001 -0.441 13.277 1.00 0.00 N ATOM 528 CA LEU A 34 -11.503 -1.802 13.606 1.00 0.00 C ATOM 529 C LEU A 34 -10.855 -2.281 14.907 1.00 0.00 C ATOM 530 O LEU A 34 -9.687 -2.052 15.152 1.00 0.00 O ATOM 531 CB LEU A 34 -11.159 -2.757 12.460 1.00 0.00 C ATOM 532 CG LEU A 34 -11.712 -2.190 11.152 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.494 -3.194 10.021 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.209 -1.921 11.302 1.00 0.00 C ATOM 0 H LEU A 34 -10.044 -0.404 12.926 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.585 -1.778 13.737 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.079 -2.884 12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.583 -3.742 12.652 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.193 -1.260 10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.890 -2.786 9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.427 -3.388 9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.009 -4.125 10.257 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.601 -1.517 10.369 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.724 -2.852 11.539 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.371 -1.202 12.105 1.00 0.00 H new ATOM 546 N GLN A 35 -11.610 -2.932 15.749 1.00 0.00 N ATOM 547 CA GLN A 35 -11.049 -3.411 17.044 1.00 0.00 C ATOM 548 C GLN A 35 -10.710 -4.895 16.949 1.00 0.00 C ATOM 549 O GLN A 35 -11.512 -5.701 16.523 1.00 0.00 O ATOM 550 CB GLN A 35 -12.086 -3.203 18.151 1.00 0.00 C ATOM 551 CG GLN A 35 -11.477 -3.557 19.509 1.00 0.00 C ATOM 552 CD GLN A 35 -12.576 -3.553 20.575 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.560 -4.253 20.448 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.451 -2.787 21.628 1.00 0.00 N ATOM 0 H GLN A 35 -12.594 -3.153 15.595 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.143 -2.849 17.271 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.425 -2.167 18.154 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.962 -3.824 17.962 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.003 -4.537 19.463 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.699 -2.839 19.770 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.625 -2.199 21.735 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.180 -2.778 22.342 1.00 0.00 H new ATOM 641 N HIS A 42 -6.436 -3.548 20.419 1.00 0.00 N ATOM 642 CA HIS A 42 -5.879 -2.316 19.794 1.00 0.00 C ATOM 643 C HIS A 42 -6.739 -1.919 18.596 1.00 0.00 C ATOM 644 O HIS A 42 -7.389 -2.743 17.985 1.00 0.00 O ATOM 645 CB HIS A 42 -4.450 -2.595 19.324 1.00 0.00 C ATOM 646 CG HIS A 42 -4.457 -3.771 18.387 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.543 -5.081 18.843 1.00 0.00 N ATOM 648 CD2 HIS A 42 -4.398 -3.851 17.018 1.00 0.00 C ATOM 649 CE1 HIS A 42 -4.537 -5.884 17.762 1.00 0.00 C ATOM 650 NE2 HIS A 42 -4.448 -5.184 16.632 1.00 0.00 N ATOM 0 HA HIS A 42 -5.876 -1.504 20.522 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.042 -1.718 18.822 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.807 -2.801 20.180 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.324 -3.009 16.346 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.597 -6.961 17.806 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.422 -5.551 15.681 1.00 0.00 H new ATOM 659 N TRP A 43 -6.748 -0.660 18.257 1.00 0.00 N ATOM 660 CA TRP A 43 -7.567 -0.209 17.099 1.00 0.00 C ATOM 661 C TRP A 43 -6.655 0.038 15.895 1.00 0.00 C ATOM 662 O TRP A 43 -5.630 0.679 16.002 1.00 0.00 O ATOM 663 CB TRP A 43 -8.283 1.092 17.467 1.00 0.00 C ATOM 664 CG TRP A 43 -9.159 0.855 18.655 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.744 0.881 19.943 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.586 0.564 18.692 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.823 0.613 20.766 1.00 0.00 N ATOM 668 CE2 TRP A 43 -10.982 0.412 20.041 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.566 0.414 17.695 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.301 0.123 20.390 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.897 0.124 18.043 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.262 -0.021 19.386 1.00 0.00 C ATOM 0 H TRP A 43 -6.224 0.075 18.732 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.300 -0.975 16.848 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.554 1.872 17.688 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.880 1.443 16.625 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.735 1.079 20.274 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.770 0.569 21.784 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.295 0.522 16.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.577 0.011 21.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.642 0.012 17.269 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.286 -0.244 19.646 1.00 0.00 H new ATOM 683 N THR A 44 -7.023 -0.460 14.747 1.00 0.00 N ATOM 684 CA THR A 44 -6.177 -0.244 13.541 1.00 0.00 C ATOM 685 C THR A 44 -7.057 -0.261 12.290 1.00 0.00 C ATOM 686 O THR A 44 -8.095 -0.891 12.261 1.00 0.00 O ATOM 687 CB THR A 44 -5.123 -1.351 13.439 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.629 -2.546 14.019 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.856 -0.919 14.175 1.00 0.00 C ATOM 0 H THR A 44 -7.871 -1.006 14.592 1.00 0.00 H new ATOM 0 HA THR A 44 -5.677 0.721 13.623 1.00 0.00 H new ATOM 0 HB THR A 44 -4.888 -1.532 12.390 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.954 -3.254 13.952 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.106 -1.707 14.102 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.467 -0.006 13.725 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.089 -0.736 15.224 1.00 0.00 H new ATOM 697 N PRO A 45 -6.637 0.421 11.262 1.00 0.00 N ATOM 698 CA PRO A 45 -7.390 0.486 9.979 1.00 0.00 C ATOM 699 C PRO A 45 -7.341 -0.840 9.213 1.00 0.00 C ATOM 700 O PRO A 45 -6.395 -1.597 9.328 1.00 0.00 O ATOM 701 CB PRO A 45 -6.675 1.584 9.187 1.00 0.00 C ATOM 702 CG PRO A 45 -5.294 1.648 9.753 1.00 0.00 C ATOM 703 CD PRO A 45 -5.396 1.206 11.211 1.00 0.00 C ATOM 0 HA PRO A 45 -8.448 0.688 10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.653 1.349 8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.187 2.541 9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.618 0.998 9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.893 2.659 9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.534 0.608 11.508 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.438 2.062 11.885 1.00 0.00 H new ATOM 711 N PRO A 46 -8.348 -1.116 8.428 1.00 0.00 N ATOM 712 CA PRO A 46 -8.412 -2.367 7.622 1.00 0.00 C ATOM 713 C PRO A 46 -7.081 -2.670 6.927 1.00 0.00 C ATOM 714 O PRO A 46 -6.820 -2.194 5.841 1.00 0.00 O ATOM 715 CB PRO A 46 -9.494 -2.067 6.589 1.00 0.00 C ATOM 716 CG PRO A 46 -10.399 -1.080 7.247 1.00 0.00 C ATOM 717 CD PRO A 46 -9.537 -0.271 8.218 1.00 0.00 C ATOM 0 HA PRO A 46 -8.623 -3.242 8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.063 -1.658 5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.034 -2.972 6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.864 -0.428 6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.205 -1.588 7.776 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.268 0.699 7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.062 -0.081 9.154 1.00 0.00 H new ATOM 725 N LYS A 47 -6.239 -3.457 7.540 1.00 0.00 N ATOM 726 CA LYS A 47 -4.932 -3.782 6.902 1.00 0.00 C ATOM 727 C LYS A 47 -4.792 -5.291 6.734 1.00 0.00 C ATOM 728 O LYS A 47 -5.364 -6.068 7.474 1.00 0.00 O ATOM 729 CB LYS A 47 -3.781 -3.253 7.759 1.00 0.00 C ATOM 730 CG LYS A 47 -3.810 -3.920 9.133 1.00 0.00 C ATOM 731 CD LYS A 47 -2.706 -3.329 10.007 1.00 0.00 C ATOM 732 CE LYS A 47 -2.604 -4.125 11.308 1.00 0.00 C ATOM 733 NZ LYS A 47 -1.234 -4.701 11.429 1.00 0.00 N ATOM 0 H LYS A 47 -6.399 -3.887 8.451 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.896 -3.307 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.828 -3.452 7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.864 -2.172 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.782 -3.768 9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.671 -4.996 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.754 -3.356 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.921 -2.283 10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.816 -3.479 12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.348 -4.922 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.162 -5.243 12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.049 -5.330 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.534 -3.932 11.436 1.00 0.00 H new ATOM 747 N GLY A 48 -4.029 -5.704 5.764 1.00 0.00 N ATOM 748 CA GLY A 48 -3.832 -7.157 5.525 1.00 0.00 C ATOM 749 C GLY A 48 -2.553 -7.354 4.708 1.00 0.00 C ATOM 750 O GLY A 48 -1.748 -6.455 4.577 1.00 0.00 O ATOM 0 H GLY A 48 -3.529 -5.091 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.759 -7.689 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.688 -7.571 4.992 1.00 0.00 H new ATOM 754 N HIS A 49 -2.357 -8.520 4.157 1.00 0.00 N ATOM 755 CA HIS A 49 -1.128 -8.757 3.350 1.00 0.00 C ATOM 756 C HIS A 49 -1.480 -8.703 1.861 1.00 0.00 C ATOM 757 O HIS A 49 -2.480 -9.247 1.430 1.00 0.00 O ATOM 758 CB HIS A 49 -0.553 -10.137 3.687 1.00 0.00 C ATOM 759 CG HIS A 49 -0.121 -10.172 5.128 1.00 0.00 C ATOM 760 ND1 HIS A 49 -0.110 -11.345 5.867 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.326 -9.190 5.978 1.00 0.00 C ATOM 762 CE1 HIS A 49 0.333 -11.046 7.101 1.00 0.00 C ATOM 763 NE2 HIS A 49 0.610 -9.747 7.221 1.00 0.00 N ATOM 0 H HIS A 49 -2.992 -9.315 4.230 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.389 -7.989 3.579 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.302 -10.908 3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.295 -10.356 3.038 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.439 -8.147 5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.450 -11.768 7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.957 -9.264 8.049 1.00 0.00 H new ATOM 772 N VAL A 50 -0.674 -8.049 1.069 1.00 0.00 N ATOM 773 CA VAL A 50 -0.973 -7.965 -0.388 1.00 0.00 C ATOM 774 C VAL A 50 -0.419 -9.198 -1.099 1.00 0.00 C ATOM 775 O VAL A 50 0.675 -9.653 -0.826 1.00 0.00 O ATOM 776 CB VAL A 50 -0.356 -6.689 -0.979 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.438 -5.949 0.097 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.570 -7.046 -2.150 1.00 0.00 C ATOM 0 H VAL A 50 0.176 -7.571 1.367 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.053 -7.928 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.157 -6.045 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.873 -5.045 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.226 -5.680 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.234 -6.594 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.003 -6.135 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.368 -7.699 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.002 -7.558 -2.923 1.00 0.00 H new ATOM 788 N GLU A 51 -1.174 -9.736 -2.017 1.00 0.00 N ATOM 789 CA GLU A 51 -0.715 -10.937 -2.766 1.00 0.00 C ATOM 790 C GLU A 51 0.523 -10.561 -3.599 1.00 0.00 C ATOM 791 O GLU A 51 1.034 -9.465 -3.487 1.00 0.00 O ATOM 792 CB GLU A 51 -1.863 -11.403 -3.676 1.00 0.00 C ATOM 793 CG GLU A 51 -2.269 -12.845 -3.344 1.00 0.00 C ATOM 794 CD GLU A 51 -3.400 -12.835 -2.317 1.00 0.00 C ATOM 795 OE1 GLU A 51 -4.513 -12.507 -2.694 1.00 0.00 O ATOM 796 OE2 GLU A 51 -3.136 -13.163 -1.170 1.00 0.00 O ATOM 0 H GLU A 51 -2.097 -9.391 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.444 -11.745 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.721 -10.742 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.555 -11.338 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.590 -13.361 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.413 -13.394 -2.952 1.00 0.00 H new ATOM 804 N PRO A 52 1.014 -11.465 -4.413 1.00 0.00 N ATOM 805 CA PRO A 52 2.223 -11.214 -5.259 1.00 0.00 C ATOM 806 C PRO A 52 1.936 -10.288 -6.440 1.00 0.00 C ATOM 807 O PRO A 52 2.341 -9.141 -6.453 1.00 0.00 O ATOM 808 CB PRO A 52 2.608 -12.604 -5.759 1.00 0.00 C ATOM 809 CG PRO A 52 1.349 -13.407 -5.723 1.00 0.00 C ATOM 810 CD PRO A 52 0.477 -12.817 -4.620 1.00 0.00 C ATOM 0 HA PRO A 52 3.009 -10.715 -4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.015 -12.558 -6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.375 -13.050 -5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.837 -13.365 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.566 -14.456 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.572 -12.787 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.534 -13.411 -3.708 1.00 0.00 H new ATOM 818 N GLY A 53 1.241 -10.772 -7.433 1.00 0.00 N ATOM 819 CA GLY A 53 0.926 -9.917 -8.612 1.00 0.00 C ATOM 820 C GLY A 53 -0.253 -9.012 -8.263 1.00 0.00 C ATOM 821 O GLY A 53 -0.924 -8.482 -9.125 1.00 0.00 O ATOM 0 H GLY A 53 0.877 -11.724 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.794 -9.317 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.683 -10.538 -9.474 1.00 0.00 H new ATOM 825 N GLU A 54 -0.515 -8.843 -6.996 1.00 0.00 N ATOM 826 CA GLU A 54 -1.656 -7.985 -6.575 1.00 0.00 C ATOM 827 C GLU A 54 -1.199 -6.533 -6.434 1.00 0.00 C ATOM 828 O GLU A 54 -0.051 -6.253 -6.145 1.00 0.00 O ATOM 829 CB GLU A 54 -2.181 -8.468 -5.229 1.00 0.00 C ATOM 830 CG GLU A 54 -3.480 -7.737 -4.903 1.00 0.00 C ATOM 831 CD GLU A 54 -3.944 -8.109 -3.495 1.00 0.00 C ATOM 832 OE1 GLU A 54 -5.032 -7.701 -3.125 1.00 0.00 O ATOM 833 OE2 GLU A 54 -3.207 -8.793 -2.808 1.00 0.00 O ATOM 0 H GLU A 54 0.014 -9.264 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.441 -8.046 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.353 -9.544 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.441 -8.284 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.329 -6.660 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.248 -8.000 -5.630 1.00 0.00 H new ATOM 841 N ASP A 55 -2.091 -5.607 -6.639 1.00 0.00 N ATOM 842 CA ASP A 55 -1.717 -4.172 -6.519 1.00 0.00 C ATOM 843 C ASP A 55 -1.559 -3.786 -5.059 1.00 0.00 C ATOM 844 O ASP A 55 -2.030 -4.462 -4.162 1.00 0.00 O ATOM 845 CB ASP A 55 -2.813 -3.289 -7.093 1.00 0.00 C ATOM 846 CG ASP A 55 -2.261 -1.878 -7.315 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.067 -1.697 -7.139 1.00 0.00 O ATOM 848 OD2 ASP A 55 -3.041 -1.001 -7.646 1.00 0.00 O ATOM 0 H ASP A 55 -3.065 -5.782 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.782 -4.033 -7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.174 -3.703 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.664 -3.256 -6.412 1.00 0.00 H new ATOM 854 N ASP A 56 -0.929 -2.679 -4.822 1.00 0.00 N ATOM 855 CA ASP A 56 -0.767 -2.202 -3.431 1.00 0.00 C ATOM 856 C ASP A 56 -2.093 -1.595 -2.957 1.00 0.00 C ATOM 857 O ASP A 56 -2.557 -1.866 -1.869 1.00 0.00 O ATOM 858 CB ASP A 56 0.326 -1.133 -3.385 1.00 0.00 C ATOM 859 CG ASP A 56 1.677 -1.767 -3.732 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.752 -2.983 -3.747 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.611 -1.025 -3.976 1.00 0.00 O ATOM 0 H ASP A 56 -0.516 -2.080 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.487 -3.033 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.097 -0.333 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.368 -0.683 -2.393 1.00 0.00 H new ATOM 867 N LEU A 57 -2.698 -0.765 -3.772 1.00 0.00 N ATOM 868 CA LEU A 57 -3.986 -0.126 -3.376 1.00 0.00 C ATOM 869 C LEU A 57 -5.124 -1.152 -3.402 1.00 0.00 C ATOM 870 O LEU A 57 -5.909 -1.234 -2.479 1.00 0.00 O ATOM 871 CB LEU A 57 -4.308 1.023 -4.338 1.00 0.00 C ATOM 872 CG LEU A 57 -5.648 1.659 -3.954 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.581 2.172 -2.517 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.953 2.829 -4.893 1.00 0.00 C ATOM 0 H LEU A 57 -2.352 -0.504 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.887 0.262 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.516 1.771 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.351 0.651 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.435 0.909 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.536 2.624 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.369 1.341 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.790 2.918 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.907 3.278 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.163 3.576 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.007 2.467 -5.920 1.00 0.00 H new ATOM 886 N GLU A 58 -5.227 -1.936 -4.443 1.00 0.00 N ATOM 887 CA GLU A 58 -6.331 -2.938 -4.492 1.00 0.00 C ATOM 888 C GLU A 58 -6.283 -3.773 -3.216 1.00 0.00 C ATOM 889 O GLU A 58 -7.301 -4.073 -2.626 1.00 0.00 O ATOM 890 CB GLU A 58 -6.174 -3.841 -5.719 1.00 0.00 C ATOM 891 CG GLU A 58 -6.544 -3.060 -6.991 1.00 0.00 C ATOM 892 CD GLU A 58 -5.402 -2.127 -7.397 1.00 0.00 C ATOM 893 OE1 GLU A 58 -4.915 -2.268 -8.506 1.00 0.00 O ATOM 894 OE2 GLU A 58 -5.036 -1.284 -6.595 1.00 0.00 O ATOM 0 H GLU A 58 -4.604 -1.927 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.291 -2.427 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.148 -4.201 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.814 -4.718 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.759 -3.755 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.451 -2.481 -6.818 1.00 0.00 H new ATOM 902 N THR A 59 -5.112 -4.121 -2.758 1.00 0.00 N ATOM 903 CA THR A 59 -5.033 -4.898 -1.495 1.00 0.00 C ATOM 904 C THR A 59 -5.697 -4.073 -0.399 1.00 0.00 C ATOM 905 O THR A 59 -6.459 -4.578 0.399 1.00 0.00 O ATOM 906 CB THR A 59 -3.573 -5.164 -1.135 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.976 -5.934 -2.168 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.505 -5.924 0.192 1.00 0.00 C ATOM 0 H THR A 59 -4.218 -3.903 -3.199 1.00 0.00 H new ATOM 0 HA THR A 59 -5.537 -5.858 -1.608 1.00 0.00 H new ATOM 0 HB THR A 59 -3.037 -4.221 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.910 -5.393 -2.983 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.463 -6.114 0.449 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.970 -5.328 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.034 -6.872 0.096 1.00 0.00 H new ATOM 916 N ALA A 60 -5.436 -2.792 -0.377 1.00 0.00 N ATOM 917 CA ALA A 60 -6.084 -1.927 0.642 1.00 0.00 C ATOM 918 C ALA A 60 -7.584 -1.927 0.361 1.00 0.00 C ATOM 919 O ALA A 60 -8.399 -2.060 1.250 1.00 0.00 O ATOM 920 CB ALA A 60 -5.538 -0.502 0.528 1.00 0.00 C ATOM 0 H ALA A 60 -4.805 -2.313 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.882 -2.298 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.015 0.131 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.461 -0.511 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.749 -0.110 -0.467 1.00 0.00 H new ATOM 926 N LEU A 61 -7.944 -1.807 -0.886 1.00 0.00 N ATOM 927 CA LEU A 61 -9.381 -1.827 -1.258 1.00 0.00 C ATOM 928 C LEU A 61 -9.977 -3.162 -0.828 1.00 0.00 C ATOM 929 O LEU A 61 -10.986 -3.228 -0.155 1.00 0.00 O ATOM 930 CB LEU A 61 -9.493 -1.728 -2.774 1.00 0.00 C ATOM 931 CG LEU A 61 -8.844 -0.441 -3.261 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.938 -0.387 -4.784 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.573 0.760 -2.656 1.00 0.00 C ATOM 0 H LEU A 61 -7.298 -1.695 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.903 -0.999 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.010 -2.587 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.541 -1.752 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.798 -0.413 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.476 0.532 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.420 -1.246 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.985 -0.409 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.108 1.682 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.619 0.743 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.513 0.712 -1.569 1.00 0.00 H new ATOM 945 N ARG A 62 -9.343 -4.230 -1.226 1.00 0.00 N ATOM 946 CA ARG A 62 -9.846 -5.580 -0.863 1.00 0.00 C ATOM 947 C ARG A 62 -9.836 -5.740 0.657 1.00 0.00 C ATOM 948 O ARG A 62 -10.758 -6.273 1.239 1.00 0.00 O ATOM 949 CB ARG A 62 -8.944 -6.642 -1.491 1.00 0.00 C ATOM 950 CG ARG A 62 -9.537 -8.022 -1.227 1.00 0.00 C ATOM 951 CD ARG A 62 -8.587 -9.097 -1.753 1.00 0.00 C ATOM 952 NE ARG A 62 -8.398 -8.923 -3.220 1.00 0.00 N ATOM 953 CZ ARG A 62 -7.314 -9.369 -3.787 1.00 0.00 C ATOM 954 NH1 ARG A 62 -6.409 -9.973 -3.069 1.00 0.00 N ATOM 955 NH2 ARG A 62 -7.133 -9.214 -5.070 1.00 0.00 N ATOM 0 H ARG A 62 -8.493 -4.223 -1.790 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.865 -5.699 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.853 -6.471 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.940 -6.578 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.702 -8.160 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.508 -8.111 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.627 -9.029 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.991 -10.088 -1.543 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.114 -8.457 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.551 -10.095 -2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.559 -10.324 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.842 -8.742 -5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.283 -9.565 -5.511 1.00 0.00 H new ATOM 969 N ALA A 63 -8.803 -5.282 1.307 1.00 0.00 N ATOM 970 CA ALA A 63 -8.745 -5.411 2.789 1.00 0.00 C ATOM 971 C ALA A 63 -9.786 -4.486 3.416 1.00 0.00 C ATOM 972 O ALA A 63 -10.311 -4.749 4.480 1.00 0.00 O ATOM 973 CB ALA A 63 -7.350 -5.020 3.285 1.00 0.00 C ATOM 0 H ALA A 63 -7.999 -4.825 0.877 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.952 -6.443 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.310 -5.115 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.606 -5.678 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.140 -3.988 3.003 1.00 0.00 H new ATOM 979 N THR A 64 -10.073 -3.395 2.766 1.00 0.00 N ATOM 980 CA THR A 64 -11.067 -2.434 3.315 1.00 0.00 C ATOM 981 C THR A 64 -12.439 -3.093 3.428 1.00 0.00 C ATOM 982 O THR A 64 -13.096 -3.009 4.445 1.00 0.00 O ATOM 983 CB THR A 64 -11.171 -1.240 2.368 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.877 -0.706 2.141 1.00 0.00 O ATOM 985 CG2 THR A 64 -12.060 -0.169 2.992 1.00 0.00 C ATOM 0 H THR A 64 -9.660 -3.126 1.873 1.00 0.00 H new ATOM 0 HA THR A 64 -10.744 -2.113 4.305 1.00 0.00 H new ATOM 0 HB THR A 64 -11.604 -1.563 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.397 -1.272 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.133 0.682 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.054 -0.579 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.628 0.156 3.939 1.00 0.00 H new ATOM 993 N GLN A 65 -12.885 -3.730 2.384 1.00 0.00 N ATOM 994 CA GLN A 65 -14.224 -4.372 2.423 1.00 0.00 C ATOM 995 C GLN A 65 -14.161 -5.701 3.177 1.00 0.00 C ATOM 996 O GLN A 65 -15.071 -6.059 3.892 1.00 0.00 O ATOM 997 CB GLN A 65 -14.712 -4.599 0.990 1.00 0.00 C ATOM 998 CG GLN A 65 -15.240 -6.028 0.846 1.00 0.00 C ATOM 999 CD GLN A 65 -15.827 -6.212 -0.552 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -15.106 -6.223 -1.532 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -17.117 -6.357 -0.688 1.00 0.00 N ATOM 0 H GLN A 65 -12.379 -3.833 1.505 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.921 -3.718 2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.498 -3.884 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.897 -4.429 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.435 -6.744 1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.001 -6.224 1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.721 -6.348 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.521 -6.480 -1.616 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.100 -6.441 3.014 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.994 -7.750 3.719 1.00 0.00 C ATOM 1012 C GLU A 66 -13.035 -7.536 5.236 1.00 0.00 C ATOM 1013 O GLU A 66 -13.614 -8.315 5.966 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.669 -8.419 3.339 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.726 -8.894 1.885 1.00 0.00 C ATOM 1016 CD GLU A 66 -12.745 -10.029 1.755 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.087 -10.611 2.769 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.162 -10.297 0.640 1.00 0.00 O ATOM 0 H GLU A 66 -12.304 -6.198 2.425 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.831 -8.384 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.846 -7.717 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.475 -9.264 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.003 -8.066 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.742 -9.237 1.565 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.417 -6.491 5.717 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.417 -6.241 7.185 1.00 0.00 C ATOM 1028 C GLU A 67 -13.415 -5.135 7.543 1.00 0.00 C ATOM 1029 O GLU A 67 -13.582 -4.802 8.698 1.00 0.00 O ATOM 1030 CB GLU A 67 -11.011 -5.828 7.627 1.00 0.00 C ATOM 1031 CG GLU A 67 -10.043 -6.989 7.393 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.652 -6.611 7.908 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.785 -7.469 7.897 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.477 -5.471 8.305 1.00 0.00 O ATOM 0 H GLU A 67 -11.914 -5.802 5.158 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.714 -7.155 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.685 -4.950 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.016 -5.551 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.401 -7.882 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.996 -7.228 6.330 1.00 0.00 H new ATOM 1042 N ALA A 68 -14.076 -4.560 6.572 1.00 0.00 N ATOM 1043 CA ALA A 68 -15.052 -3.477 6.891 1.00 0.00 C ATOM 1044 C ALA A 68 -16.284 -3.599 5.994 1.00 0.00 C ATOM 1045 O ALA A 68 -17.359 -3.161 6.344 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.395 -2.116 6.663 1.00 0.00 C ATOM 0 H ALA A 68 -13.984 -4.790 5.583 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.357 -3.570 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.107 -1.325 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.522 -2.020 7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.086 -2.031 5.621 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.138 -4.177 4.838 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.306 -4.309 3.925 1.00 0.00 C ATOM 1054 C GLY A 69 -17.360 -3.095 3.005 1.00 0.00 C ATOM 1055 O GLY A 69 -18.201 -2.997 2.136 1.00 0.00 O ATOM 0 H GLY A 69 -15.263 -4.564 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.222 -5.223 3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.228 -4.385 4.502 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.462 -2.166 3.186 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.464 -0.963 2.320 1.00 0.00 C ATOM 1061 C ILE A 70 -15.387 -1.120 1.242 1.00 0.00 C ATOM 1062 O ILE A 70 -14.249 -1.430 1.525 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.175 0.289 3.153 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.995 0.265 4.446 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.593 1.507 2.337 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.309 1.117 5.523 1.00 0.00 C ATOM 0 H ILE A 70 -15.730 -2.191 3.896 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.444 -0.857 1.854 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.115 0.325 3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.999 0.645 4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.104 -0.761 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.397 2.413 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -16.024 1.535 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.657 1.445 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.901 1.093 6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.315 0.718 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.224 2.146 5.173 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.744 -0.911 0.005 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.748 -1.046 -1.096 1.00 0.00 C ATOM 1080 C GLU A 71 -14.543 0.307 -1.774 1.00 0.00 C ATOM 1081 O GLU A 71 -15.284 1.245 -1.553 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.234 -2.086 -2.116 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.610 -1.811 -3.488 1.00 0.00 C ATOM 1084 CD GLU A 71 -15.118 -2.842 -4.497 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -14.663 -2.810 -5.627 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -15.955 -3.644 -4.126 1.00 0.00 O ATOM 0 H GLU A 71 -16.685 -0.652 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.797 -1.381 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.966 -3.088 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.321 -2.054 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.866 -0.805 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.523 -1.858 -3.421 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.536 0.412 -2.597 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.262 1.700 -3.292 1.00 0.00 C ATOM 1096 C ALA A 72 -14.556 2.248 -3.885 1.00 0.00 C ATOM 1097 O ALA A 72 -14.799 3.438 -3.870 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.234 1.471 -4.394 1.00 0.00 C ATOM 0 H ALA A 72 -12.888 -0.344 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.867 2.424 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.032 2.413 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.311 1.090 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.623 0.747 -5.110 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.402 1.397 -4.384 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.686 1.887 -4.942 1.00 0.00 C ATOM 1106 C GLY A 73 -17.458 2.578 -3.822 1.00 0.00 C ATOM 1107 O GLY A 73 -18.234 3.484 -4.052 1.00 0.00 O ATOM 0 H GLY A 73 -15.261 0.388 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.504 2.581 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.265 1.058 -5.348 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.252 2.147 -2.603 1.00 0.00 N ATOM 1112 CA GLN A 74 -17.982 2.766 -1.463 1.00 0.00 C ATOM 1113 C GLN A 74 -17.150 3.879 -0.804 1.00 0.00 C ATOM 1114 O GLN A 74 -17.650 4.604 0.030 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.315 1.692 -0.429 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.302 0.694 -1.035 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.772 -0.280 0.046 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -19.367 -0.183 1.187 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.620 -1.219 -0.265 1.00 0.00 N ATOM 0 H GLN A 74 -16.611 1.395 -2.352 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.900 3.212 -1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.406 1.178 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.744 2.150 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.156 1.223 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.828 0.148 -1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -20.961 -1.302 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.943 -1.872 0.449 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.905 4.052 -1.170 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.121 5.159 -0.542 1.00 0.00 C ATOM 1130 C LEU A 75 -14.489 6.018 -1.631 1.00 0.00 C ATOM 1131 O LEU A 75 -14.804 5.898 -2.798 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.005 4.659 0.401 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.953 3.133 0.471 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.694 2.645 -0.236 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.887 2.692 1.933 1.00 0.00 C ATOM 0 H LEU A 75 -15.407 3.490 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.825 5.734 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.043 5.039 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.168 5.062 1.401 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.842 2.718 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.650 1.557 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.715 2.964 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.816 3.065 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.850 1.604 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.993 3.108 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.771 3.050 2.461 1.00 0.00 H new ATOM 1147 N THR A 76 -13.606 6.888 -1.243 1.00 0.00 N ATOM 1148 CA THR A 76 -12.936 7.773 -2.227 1.00 0.00 C ATOM 1149 C THR A 76 -11.459 7.851 -1.868 1.00 0.00 C ATOM 1150 O THR A 76 -11.078 8.492 -0.910 1.00 0.00 O ATOM 1151 CB THR A 76 -13.569 9.165 -2.146 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.957 9.066 -2.434 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.903 10.107 -3.149 1.00 0.00 C ATOM 0 H THR A 76 -13.317 7.025 -0.275 1.00 0.00 H new ATOM 0 HA THR A 76 -13.048 7.386 -3.240 1.00 0.00 H new ATOM 0 HB THR A 76 -13.428 9.564 -1.142 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.366 9.955 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.362 11.093 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.839 10.185 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.032 9.715 -4.158 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.620 7.195 -2.617 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.173 7.227 -2.298 1.00 0.00 C ATOM 1163 C ILE A 77 -8.614 8.590 -2.679 1.00 0.00 C ATOM 1164 O ILE A 77 -8.801 9.062 -3.782 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.438 6.143 -3.086 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.288 4.866 -3.139 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.107 5.846 -2.396 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.371 4.228 -1.750 1.00 0.00 C ATOM 0 H ILE A 77 -10.875 6.640 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.034 7.048 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.259 6.489 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.289 5.102 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.853 4.160 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.574 5.073 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.503 6.753 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.293 5.500 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.977 3.323 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.368 3.975 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.827 4.931 -1.053 1.00 0.00 H new ATOM 1180 N ILE A 78 -7.935 9.237 -1.778 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.383 10.572 -2.104 1.00 0.00 C ATOM 1182 C ILE A 78 -6.004 10.425 -2.738 1.00 0.00 C ATOM 1183 O ILE A 78 -5.211 9.585 -2.354 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.304 11.422 -0.837 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.288 12.589 -0.962 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.885 11.971 -0.661 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.723 12.058 -0.982 1.00 0.00 C ATOM 0 H ILE A 78 -7.740 8.900 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.040 11.069 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.556 10.809 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.157 13.278 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.086 13.151 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.839 12.576 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.182 11.142 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.624 12.586 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.419 12.893 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.851 11.387 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.923 11.516 -0.058 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.728 11.232 -3.722 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.417 11.159 -4.422 1.00 0.00 C ATOM 1201 C GLU A 79 -3.505 12.290 -3.953 1.00 0.00 C ATOM 1202 O GLU A 79 -3.958 13.350 -3.561 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.654 11.297 -5.923 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.537 10.150 -6.406 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.754 10.275 -7.913 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -6.314 9.360 -8.490 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -5.356 11.288 -8.464 1.00 0.00 O ATOM 0 H GLU A 79 -6.363 11.948 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.941 10.204 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.130 12.253 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.703 11.286 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.069 9.194 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.495 10.171 -5.887 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.220 12.073 -4.001 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.264 13.127 -3.571 1.00 0.00 C ATOM 1217 C GLY A 80 -0.682 12.761 -2.207 1.00 0.00 C ATOM 1218 O GLY A 80 0.427 13.140 -1.878 1.00 0.00 O ATOM 0 H GLY A 80 -1.790 11.205 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.464 13.228 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.770 14.091 -3.516 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.409 12.019 -1.417 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.879 11.627 -0.080 1.00 0.00 C ATOM 1224 C PHE A 81 -0.467 10.159 -0.089 1.00 0.00 C ATOM 1225 O PHE A 81 -1.262 9.281 -0.356 1.00 0.00 O ATOM 1226 CB PHE A 81 -1.954 11.814 0.994 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.503 11.117 2.262 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.743 9.746 2.434 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -0.832 11.836 3.257 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.317 9.098 3.599 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.403 11.188 4.422 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.645 9.817 4.593 1.00 0.00 C ATOM 0 H PHE A 81 -2.341 11.669 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.018 12.258 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.117 12.875 1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.904 11.401 0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.258 9.189 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.645 12.892 3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.507 8.043 3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.115 11.744 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.313 9.317 5.491 1.00 0.00 H new ATOM 1242 N LYS A 82 0.760 9.880 0.242 1.00 0.00 N ATOM 1243 CA LYS A 82 1.200 8.461 0.294 1.00 0.00 C ATOM 1244 C LYS A 82 2.298 8.315 1.342 1.00 0.00 C ATOM 1245 O LYS A 82 3.230 9.090 1.402 1.00 0.00 O ATOM 1246 CB LYS A 82 1.735 7.994 -1.054 1.00 0.00 C ATOM 1247 CG LYS A 82 1.421 6.506 -1.208 1.00 0.00 C ATOM 1248 CD LYS A 82 2.013 5.981 -2.513 1.00 0.00 C ATOM 1249 CE LYS A 82 3.517 5.759 -2.344 1.00 0.00 C ATOM 1250 NZ LYS A 82 4.254 6.504 -3.399 1.00 0.00 N ATOM 0 H LYS A 82 1.474 10.569 0.478 1.00 0.00 H new ATOM 0 HA LYS A 82 0.338 7.847 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.277 8.564 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.810 8.163 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.830 5.950 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.342 6.351 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.527 5.047 -2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.829 6.691 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.836 6.095 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.747 4.695 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.276 6.352 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.958 6.163 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.044 7.519 -3.318 1.00 0.00 H new ATOM 1264 N ARG A 83 2.189 7.319 2.161 1.00 0.00 N ATOM 1265 CA ARG A 83 3.214 7.089 3.206 1.00 0.00 C ATOM 1266 C ARG A 83 3.022 5.677 3.758 1.00 0.00 C ATOM 1267 O ARG A 83 1.912 5.259 4.024 1.00 0.00 O ATOM 1268 CB ARG A 83 3.037 8.124 4.318 1.00 0.00 C ATOM 1269 CG ARG A 83 4.085 7.895 5.406 1.00 0.00 C ATOM 1270 CD ARG A 83 3.877 8.913 6.533 1.00 0.00 C ATOM 1271 NE ARG A 83 4.230 10.277 6.043 1.00 0.00 N ATOM 1272 CZ ARG A 83 5.334 10.857 6.437 1.00 0.00 C ATOM 1273 NH1 ARG A 83 6.148 10.241 7.250 1.00 0.00 N ATOM 1274 NH2 ARG A 83 5.624 12.056 6.014 1.00 0.00 N ATOM 0 H ARG A 83 1.424 6.644 2.153 1.00 0.00 H new ATOM 0 HA ARG A 83 4.218 7.188 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.136 9.130 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.036 8.049 4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.004 6.881 5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.087 7.997 4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.840 8.893 6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.496 8.652 7.392 1.00 0.00 H new ATOM 0 HE ARG A 83 3.606 10.760 5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.925 9.303 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.008 10.698 7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.990 12.539 5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.484 12.510 6.320 1.00 0.00 H new ATOM 1288 N GLU A 84 4.079 4.933 3.925 1.00 0.00 N ATOM 1289 CA GLU A 84 3.913 3.552 4.452 1.00 0.00 C ATOM 1290 C GLU A 84 4.566 3.432 5.817 1.00 0.00 C ATOM 1291 O GLU A 84 5.603 4.008 6.076 1.00 0.00 O ATOM 1292 CB GLU A 84 4.545 2.534 3.503 1.00 0.00 C ATOM 1293 CG GLU A 84 5.983 2.939 3.169 1.00 0.00 C ATOM 1294 CD GLU A 84 5.981 4.222 2.334 1.00 0.00 C ATOM 1295 OE1 GLU A 84 4.922 4.590 1.850 1.00 0.00 O ATOM 1296 OE2 GLU A 84 7.038 4.815 2.191 1.00 0.00 O ATOM 0 H GLU A 84 5.038 5.216 3.723 1.00 0.00 H new ATOM 0 HA GLU A 84 2.846 3.347 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.536 1.545 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.957 2.467 2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.550 3.093 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.478 2.138 2.620 1.00 0.00 H new ATOM 1304 N LEU A 85 3.972 2.673 6.692 1.00 0.00 N ATOM 1305 CA LEU A 85 4.567 2.507 8.036 1.00 0.00 C ATOM 1306 C LEU A 85 5.474 1.279 8.003 1.00 0.00 C ATOM 1307 O LEU A 85 5.034 0.177 7.741 1.00 0.00 O ATOM 1308 CB LEU A 85 3.451 2.319 9.069 1.00 0.00 C ATOM 1309 CG LEU A 85 2.396 3.419 8.895 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.559 3.546 10.164 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.073 4.760 8.609 1.00 0.00 C ATOM 0 H LEU A 85 3.103 2.163 6.532 1.00 0.00 H new ATOM 0 HA LEU A 85 5.147 3.387 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.991 1.338 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.865 2.355 10.077 1.00 0.00 H new ATOM 0 HG LEU A 85 1.753 3.150 8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.813 4.329 10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.059 2.599 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.207 3.801 11.003 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.314 5.532 8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.727 5.022 9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.661 4.683 7.695 1.00 0.00 H new ATOM 1323 N ASN A 86 6.742 1.465 8.238 1.00 0.00 N ATOM 1324 CA ASN A 86 7.680 0.311 8.189 1.00 0.00 C ATOM 1325 C ASN A 86 8.268 0.056 9.573 1.00 0.00 C ATOM 1326 O ASN A 86 8.909 0.906 10.152 1.00 0.00 O ATOM 1327 CB ASN A 86 8.814 0.634 7.216 1.00 0.00 C ATOM 1328 CG ASN A 86 8.231 1.006 5.848 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.222 0.469 5.442 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.825 1.911 5.121 1.00 0.00 N ATOM 0 H ASN A 86 7.169 2.364 8.461 1.00 0.00 H new ATOM 0 HA ASN A 86 7.141 -0.578 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.414 1.458 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.478 -0.225 7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.441 2.167 4.211 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.673 2.363 5.462 1.00 0.00 H new ATOM 1337 N TYR A 87 8.065 -1.117 10.097 1.00 0.00 N ATOM 1338 CA TYR A 87 8.621 -1.440 11.436 1.00 0.00 C ATOM 1339 C TYR A 87 8.633 -2.949 11.626 1.00 0.00 C ATOM 1340 O TYR A 87 7.891 -3.675 10.994 1.00 0.00 O ATOM 1341 CB TYR A 87 7.763 -0.803 12.529 1.00 0.00 C ATOM 1342 CG TYR A 87 6.319 -1.186 12.319 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.838 -2.404 12.815 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.463 -0.324 11.624 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.498 -2.761 12.615 1.00 0.00 C ATOM 1346 CE2 TYR A 87 4.125 -0.682 11.422 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.641 -1.898 11.919 1.00 0.00 C ATOM 1348 OH TYR A 87 2.320 -2.249 11.719 1.00 0.00 O ATOM 0 H TYR A 87 7.536 -1.868 9.654 1.00 0.00 H new ATOM 0 HA TYR A 87 9.636 -1.048 11.503 1.00 0.00 H new ATOM 0 HB2 TYR A 87 8.100 -1.135 13.511 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.870 0.281 12.505 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.500 -3.068 13.351 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.834 0.616 11.244 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.126 -3.700 12.997 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.465 -0.019 10.882 1.00 0.00 H new ATOM 0 HH TYR A 87 1.865 -1.539 11.220 1.00 0.00 H new ATOM 1444 N PRO A 93 9.915 -7.183 9.762 1.00 0.00 N ATOM 1445 CA PRO A 93 9.620 -5.800 9.277 1.00 0.00 C ATOM 1446 C PRO A 93 8.415 -5.770 8.367 1.00 0.00 C ATOM 1447 O PRO A 93 8.335 -6.518 7.423 1.00 0.00 O ATOM 1448 CB PRO A 93 10.852 -5.411 8.480 1.00 0.00 C ATOM 1449 CG PRO A 93 11.446 -6.705 8.038 1.00 0.00 C ATOM 1450 CD PRO A 93 11.097 -7.743 9.099 1.00 0.00 C ATOM 0 HA PRO A 93 9.402 -5.129 10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.590 -4.785 7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.554 -4.842 9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.050 -6.999 7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.527 -6.615 7.927 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.883 -8.714 8.653 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.918 -7.889 9.801 1.00 0.00 H new ATOM 1458 N LYS A 94 7.488 -4.912 8.627 1.00 0.00 N ATOM 1459 CA LYS A 94 6.294 -4.863 7.759 1.00 0.00 C ATOM 1460 C LYS A 94 6.110 -3.470 7.179 1.00 0.00 C ATOM 1461 O LYS A 94 5.993 -2.499 7.899 1.00 0.00 O ATOM 1462 CB LYS A 94 5.076 -5.239 8.591 1.00 0.00 C ATOM 1463 CG LYS A 94 4.482 -6.532 8.042 1.00 0.00 C ATOM 1464 CD LYS A 94 3.147 -6.808 8.729 1.00 0.00 C ATOM 1465 CE LYS A 94 2.023 -6.161 7.919 1.00 0.00 C ATOM 1466 NZ LYS A 94 2.056 -4.685 8.112 1.00 0.00 N ATOM 0 H LYS A 94 7.502 -4.244 9.398 1.00 0.00 H new ATOM 0 HA LYS A 94 6.418 -5.562 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.359 -5.368 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.335 -4.440 8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.339 -6.451 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.169 -7.361 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.981 -7.882 8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.157 -6.409 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.137 -6.403 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.058 -6.558 8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.089 -4.306 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.463 -4.466 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.640 -4.251 7.369 1.00 0.00 H new ATOM 1480 N THR A 95 6.046 -3.366 5.880 1.00 0.00 N ATOM 1481 CA THR A 95 5.827 -2.037 5.266 1.00 0.00 C ATOM 1482 C THR A 95 4.340 -1.906 4.980 1.00 0.00 C ATOM 1483 O THR A 95 3.756 -2.711 4.281 1.00 0.00 O ATOM 1484 CB THR A 95 6.617 -1.902 3.959 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.966 -1.567 4.260 1.00 0.00 O ATOM 1486 CG2 THR A 95 5.992 -0.798 3.099 1.00 0.00 C ATOM 0 H THR A 95 6.136 -4.142 5.225 1.00 0.00 H new ATOM 0 HA THR A 95 6.168 -1.254 5.943 1.00 0.00 H new ATOM 0 HB THR A 95 6.589 -2.845 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.071 -0.593 4.253 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.552 -0.700 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.957 -1.054 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.022 0.147 3.642 1.00 0.00 H new ATOM 1494 N VAL A 96 3.722 -0.910 5.530 1.00 0.00 N ATOM 1495 CA VAL A 96 2.269 -0.735 5.310 1.00 0.00 C ATOM 1496 C VAL A 96 2.027 0.570 4.560 1.00 0.00 C ATOM 1497 O VAL A 96 2.410 1.623 5.010 1.00 0.00 O ATOM 1498 CB VAL A 96 1.579 -0.676 6.673 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.073 -0.517 6.482 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.860 -1.970 7.442 1.00 0.00 C ATOM 0 H VAL A 96 4.161 -0.207 6.124 1.00 0.00 H new ATOM 0 HA VAL A 96 1.872 -1.564 4.724 1.00 0.00 H new ATOM 0 HB VAL A 96 1.963 0.175 7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.415 -0.475 7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.129 0.404 5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.314 -1.366 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.369 -1.930 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.477 -2.820 6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.935 -2.083 7.583 1.00 0.00 H new ATOM 1510 N ILE A 97 1.375 0.509 3.430 1.00 0.00 N ATOM 1511 CA ILE A 97 1.098 1.757 2.666 1.00 0.00 C ATOM 1512 C ILE A 97 -0.344 2.169 2.944 1.00 0.00 C ATOM 1513 O ILE A 97 -1.256 1.380 2.808 1.00 0.00 O ATOM 1514 CB ILE A 97 1.286 1.502 1.165 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.687 0.916 0.920 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.120 2.816 0.398 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.637 1.997 0.378 1.00 0.00 C ATOM 0 H ILE A 97 1.024 -0.349 3.005 1.00 0.00 H new ATOM 0 HA ILE A 97 1.784 2.547 2.971 1.00 0.00 H new ATOM 0 HB ILE A 97 0.537 0.792 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.084 0.508 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.623 0.091 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.254 2.634 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.122 3.217 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.866 3.534 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.623 1.564 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.247 2.386 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.715 2.809 1.101 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.555 3.387 3.360 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.942 3.818 3.679 1.00 0.00 C ATOM 1531 C TYR A 98 -2.410 4.931 2.743 1.00 0.00 C ATOM 1532 O TYR A 98 -1.744 5.930 2.552 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.990 4.361 5.106 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.983 3.230 6.106 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.053 2.331 6.157 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.911 3.095 6.991 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.050 1.295 7.098 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.907 2.059 7.929 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.975 1.159 7.982 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.971 0.137 8.912 1.00 0.00 O ATOM 0 H TYR A 98 0.167 4.096 3.492 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.592 2.951 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.135 5.014 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.886 4.967 5.240 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.881 2.436 5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.086 3.791 6.951 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.877 0.602 7.141 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.078 1.954 8.613 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.105 0.116 9.371 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.586 4.779 2.207 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.165 5.830 1.330 1.00 0.00 C ATOM 1552 C TRP A 99 -5.389 6.394 2.057 1.00 0.00 C ATOM 1553 O TRP A 99 -6.122 5.662 2.690 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.599 5.225 -0.008 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.435 5.153 -0.942 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.960 6.186 -1.672 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.604 4.003 -1.267 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.882 5.745 -2.421 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.624 4.408 -2.208 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.598 2.664 -0.841 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.679 3.510 -2.707 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.647 1.760 -1.341 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.688 2.186 -2.272 1.00 0.00 C ATOM 0 H TRP A 99 -4.179 3.960 2.341 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.430 6.609 1.127 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.009 4.228 0.151 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.392 5.829 -0.449 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.356 7.191 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.344 6.338 -3.053 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.331 2.327 -0.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.056 3.840 -3.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.654 0.733 -1.008 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.043 1.488 -2.652 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.622 7.672 1.992 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.806 8.225 2.708 1.00 0.00 C ATOM 1576 C LEU A 100 -8.067 7.892 1.907 1.00 0.00 C ATOM 1577 O LEU A 100 -8.076 7.974 0.697 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.672 9.743 2.844 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.191 10.144 2.796 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -5.042 11.599 3.240 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.374 9.250 3.729 1.00 0.00 C ATOM 0 H LEU A 100 -5.055 8.351 1.483 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.869 7.786 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.218 10.238 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.117 10.073 3.783 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.826 10.028 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.990 11.884 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.614 12.243 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.415 11.709 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.325 9.543 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.741 9.358 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.473 8.211 3.416 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.127 7.508 2.568 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.373 7.158 1.825 1.00 0.00 C ATOM 1595 C ALA A 101 -11.592 7.775 2.521 1.00 0.00 C ATOM 1596 O ALA A 101 -11.576 8.039 3.706 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.524 5.637 1.780 1.00 0.00 C ATOM 0 H ALA A 101 -9.184 7.422 3.583 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.308 7.551 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.433 5.378 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.663 5.201 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.584 5.247 2.796 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.648 8.012 1.784 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.871 8.618 2.392 1.00 0.00 C ATOM 1605 C GLU A 102 -15.106 7.785 2.025 1.00 0.00 C ATOM 1606 O GLU A 102 -15.482 7.705 0.874 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.045 10.040 1.844 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.216 10.730 2.538 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.524 12.058 1.840 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.749 12.451 0.983 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.532 12.657 2.171 1.00 0.00 O ATOM 0 H GLU A 102 -12.716 7.812 0.786 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.763 8.641 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.131 10.613 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.219 10.005 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.094 10.085 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.976 10.907 3.586 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.750 7.175 2.992 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.964 6.359 2.678 1.00 0.00 C ATOM 1621 C VAL A 103 -18.159 7.287 2.417 1.00 0.00 C ATOM 1622 O VAL A 103 -18.361 8.274 3.093 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.245 5.381 3.829 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.936 4.712 4.223 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.798 6.107 5.050 1.00 0.00 C ATOM 0 H VAL A 103 -15.489 7.207 3.978 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.793 5.772 1.776 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.982 4.652 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.116 4.013 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.531 4.173 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.222 5.470 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.986 5.387 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.074 6.846 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.730 6.607 4.785 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.922 6.993 1.398 1.00 0.00 N ATOM 1636 CA LYS A 104 -20.079 7.865 1.034 1.00 0.00 C ATOM 1637 C LYS A 104 -21.135 7.900 2.136 1.00 0.00 C ATOM 1638 O LYS A 104 -21.767 8.914 2.357 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.730 7.326 -0.245 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.718 6.508 -1.049 1.00 0.00 C ATOM 1641 CD LYS A 104 -18.408 7.288 -1.191 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.099 7.498 -2.671 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.073 8.471 -3.241 1.00 0.00 N ATOM 0 H LYS A 104 -18.793 6.179 0.797 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.700 8.877 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -21.590 6.706 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.102 8.154 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.532 5.556 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.124 6.280 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.489 8.250 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.594 6.743 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.082 7.869 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.159 6.550 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.797 8.708 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -20.024 8.049 -3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.079 9.335 -2.663 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.369 6.809 2.804 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.432 6.814 3.850 1.00 0.00 C ATOM 1659 C ASP A 105 -21.849 6.897 5.256 1.00 0.00 C ATOM 1660 O ASP A 105 -20.871 6.260 5.578 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.264 5.540 3.738 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.748 5.908 3.714 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.507 5.279 4.431 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.097 6.816 2.980 1.00 0.00 O ATOM 0 H ASP A 105 -20.879 5.923 2.676 1.00 0.00 H new ATOM 0 HA ASP A 105 -23.051 7.696 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.997 4.996 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.055 4.880 4.580 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.475 7.665 6.101 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.009 7.780 7.508 1.00 0.00 C ATOM 1672 C TYR A 106 -22.251 6.437 8.198 1.00 0.00 C ATOM 1673 O TYR A 106 -21.422 5.934 8.928 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.803 8.880 8.216 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.292 9.045 9.629 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.033 9.610 9.848 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.078 8.640 10.715 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -20.555 9.770 11.153 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -22.601 8.798 12.020 1.00 0.00 C ATOM 1680 CZ TYR A 106 -21.339 9.364 12.240 1.00 0.00 C ATOM 1681 OH TYR A 106 -20.866 9.521 13.528 1.00 0.00 O ATOM 0 H TYR A 106 -23.298 8.223 5.874 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.949 8.033 7.543 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.707 9.820 7.672 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.863 8.626 8.229 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.429 9.923 9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.052 8.206 10.545 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.582 10.206 11.322 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.206 8.484 12.858 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.897 9.665 13.505 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.390 5.849 7.948 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.708 4.530 8.556 1.00 0.00 C ATOM 1693 C ASP A 107 -23.362 3.433 7.548 1.00 0.00 C ATOM 1694 O ASP A 107 -23.820 2.312 7.656 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.200 4.461 8.902 1.00 0.00 C ATOM 1696 CG ASP A 107 -26.034 4.553 7.623 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -27.228 4.781 7.734 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -25.468 4.395 6.553 1.00 0.00 O ATOM 0 H ASP A 107 -24.118 6.231 7.344 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.130 4.395 9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.419 3.529 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.464 5.274 9.578 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.553 3.751 6.569 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.167 2.734 5.549 1.00 0.00 C ATOM 1706 C VAL A 108 -22.022 1.384 6.244 1.00 0.00 C ATOM 1707 O VAL A 108 -21.731 1.316 7.421 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.832 3.156 4.927 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.867 3.533 6.048 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.228 2.007 4.118 1.00 0.00 C ATOM 0 H VAL A 108 -22.143 4.675 6.433 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.922 2.657 4.766 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.001 4.003 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.912 3.836 5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.284 4.359 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.715 2.674 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.280 2.326 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.058 1.152 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.915 1.723 3.321 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.254 0.306 5.550 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.155 -1.016 6.218 1.00 0.00 C ATOM 1722 C GLU A 109 -20.739 -1.264 6.692 1.00 0.00 C ATOM 1723 O GLU A 109 -19.764 -0.909 6.055 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.588 -2.145 5.280 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.384 -3.024 4.925 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.763 -3.987 3.794 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -20.877 -4.670 3.304 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -22.929 -4.024 3.437 1.00 0.00 O ATOM 0 H GLU A 109 -22.505 0.284 4.562 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.826 -1.003 7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.361 -2.748 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.024 -1.727 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.544 -2.401 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.061 -3.586 5.801 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.641 -1.891 7.812 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.322 -2.221 8.387 1.00 0.00 C ATOM 1738 C ILE A 110 -19.254 -3.717 8.631 1.00 0.00 C ATOM 1739 O ILE A 110 -19.878 -4.233 9.537 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.146 -1.481 9.706 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -19.005 0.016 9.424 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.896 -1.989 10.422 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.732 0.263 8.608 1.00 0.00 C ATOM 0 H ILE A 110 -21.438 -2.198 8.370 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.531 -1.923 7.699 1.00 0.00 H new ATOM 0 HB ILE A 110 -20.014 -1.656 10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.876 0.378 8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.963 0.571 10.361 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.775 -1.456 11.365 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.998 -3.056 10.619 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -17.022 -1.818 9.794 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.630 1.329 8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.866 -0.084 9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.793 -0.280 7.665 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.494 -4.418 7.848 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.381 -5.876 8.070 1.00 0.00 C ATOM 1757 C ARG A 111 -17.012 -6.152 8.657 1.00 0.00 C ATOM 1758 O ARG A 111 -16.010 -5.676 8.165 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.550 -6.640 6.764 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.866 -7.411 6.813 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.759 -8.540 7.842 1.00 0.00 C ATOM 1762 NE ARG A 111 -20.960 -9.410 7.739 1.00 0.00 N ATOM 1763 CZ ARG A 111 -21.046 -10.297 6.790 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -20.083 -10.423 5.917 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -22.104 -11.056 6.710 1.00 0.00 N ATOM 0 H ARG A 111 -17.950 -4.047 7.069 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.166 -6.207 8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -18.548 -5.950 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.716 -7.326 6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.683 -6.740 7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.096 -7.821 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.856 -9.124 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.680 -8.126 8.847 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.719 -9.312 8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.259 -9.825 5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.155 -11.119 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -22.858 -10.953 7.389 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.177 -11.753 5.969 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.959 -6.889 9.721 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.649 -7.162 10.349 1.00 0.00 C ATOM 1781 C LEU A 112 -15.304 -8.641 10.201 1.00 0.00 C ATOM 1782 O LEU A 112 -16.133 -9.505 10.397 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.709 -6.800 11.835 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.355 -5.424 12.036 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.123 -4.969 13.476 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.744 -4.395 11.078 1.00 0.00 C ATOM 0 H LEU A 112 -17.764 -7.313 10.182 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.883 -6.562 9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.279 -7.556 12.375 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.703 -6.799 12.254 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.423 -5.503 11.831 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.580 -3.991 13.627 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.571 -5.688 14.162 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.052 -4.903 13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.216 -3.425 11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.674 -4.313 11.267 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.907 -4.714 10.049 1.00 0.00 H new ATOM 1798 N SER A 113 -14.082 -8.937 9.866 1.00 0.00 N ATOM 1799 CA SER A 113 -13.677 -10.360 9.720 1.00 0.00 C ATOM 1800 C SER A 113 -13.367 -10.930 11.104 1.00 0.00 C ATOM 1801 O SER A 113 -13.266 -10.204 12.074 1.00 0.00 O ATOM 1802 CB SER A 113 -12.433 -10.453 8.836 1.00 0.00 C ATOM 1803 OG SER A 113 -12.065 -11.819 8.691 1.00 0.00 O ATOM 0 H SER A 113 -13.345 -8.255 9.687 1.00 0.00 H new ATOM 0 HA SER A 113 -14.485 -10.928 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.632 -10.012 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.613 -9.888 9.280 1.00 0.00 H new ATOM 0 HG SER A 113 -11.109 -11.922 8.880 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.214 -12.220 11.206 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.910 -12.828 12.531 1.00 0.00 C ATOM 1811 C HIS A 114 -11.782 -12.040 13.199 1.00 0.00 C ATOM 1812 O HIS A 114 -11.753 -11.877 14.403 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.463 -14.277 12.337 1.00 0.00 C ATOM 1814 CG HIS A 114 -13.567 -15.069 11.688 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -14.687 -15.491 12.390 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -13.732 -15.530 10.406 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -15.470 -16.175 11.533 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -14.931 -16.228 10.313 1.00 0.00 N ATOM 0 H HIS A 114 -13.286 -12.879 10.431 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.802 -12.802 13.157 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.566 -14.311 11.718 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.203 -14.719 13.299 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -13.037 -15.375 9.594 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -16.415 -16.624 11.800 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -15.317 -16.684 9.487 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.848 -11.556 12.429 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.713 -10.785 13.018 1.00 0.00 C ATOM 1829 C GLU A 115 -10.239 -9.512 13.696 1.00 0.00 C ATOM 1830 O GLU A 115 -9.689 -9.053 14.679 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.727 -10.406 11.910 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.125 -11.676 11.301 1.00 0.00 C ATOM 1833 CD GLU A 115 -9.140 -12.323 10.354 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -10.065 -11.639 9.951 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -8.972 -13.494 10.051 1.00 0.00 O ATOM 0 H GLU A 115 -10.820 -11.660 11.415 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.209 -11.401 13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.236 -9.827 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.936 -9.774 12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.211 -11.434 10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.852 -12.376 12.091 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.297 -8.942 13.188 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.852 -7.705 13.812 1.00 0.00 C ATOM 1845 C HIS A 116 -13.194 -8.035 14.468 1.00 0.00 C ATOM 1846 O HIS A 116 -13.989 -8.783 13.937 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.048 -6.628 12.743 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.705 -6.153 12.260 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.904 -5.302 13.011 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.008 -6.402 11.105 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.780 -5.077 12.304 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.797 -5.723 11.138 1.00 0.00 N ATOM 0 H HIS A 116 -11.802 -9.278 12.368 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.158 -7.332 14.565 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.626 -7.028 11.910 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.616 -5.793 13.153 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.349 -7.030 10.295 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.966 -4.451 12.640 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -8.072 -5.719 10.420 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.445 -7.496 15.629 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.725 -7.794 16.330 1.00 0.00 C ATOM 1863 C GLN A 117 -15.614 -6.550 16.400 1.00 0.00 C ATOM 1864 O GLN A 117 -16.818 -6.634 16.277 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.413 -8.271 17.749 1.00 0.00 C ATOM 1866 CG GLN A 117 -15.638 -8.073 18.639 1.00 0.00 C ATOM 1867 CD GLN A 117 -16.888 -8.564 17.906 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -16.869 -9.598 17.272 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -17.980 -7.853 17.963 1.00 0.00 N ATOM 0 H GLN A 117 -12.818 -6.861 16.123 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.257 -8.567 15.775 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.128 -9.323 17.735 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.565 -7.716 18.152 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -15.514 -8.620 19.574 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.746 -7.020 18.898 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -17.995 -6.984 18.496 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -18.819 -8.166 17.474 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.044 -5.398 16.617 1.00 0.00 N ATOM 1879 CA ALA A 118 -15.888 -4.174 16.719 1.00 0.00 C ATOM 1880 C ALA A 118 -15.159 -2.975 16.111 1.00 0.00 C ATOM 1881 O ALA A 118 -13.949 -2.944 16.026 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.187 -3.894 18.192 1.00 0.00 C ATOM 0 H ALA A 118 -14.041 -5.251 16.727 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.818 -4.334 16.173 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.804 -2.999 18.274 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.718 -4.743 18.623 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.252 -3.740 18.730 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.899 -1.986 15.690 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.272 -0.779 15.083 1.00 0.00 C ATOM 1890 C TYR A 119 -15.926 0.477 15.662 1.00 0.00 C ATOM 1891 O TYR A 119 -17.030 0.435 16.170 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.498 -0.802 13.575 1.00 0.00 C ATOM 1893 CG TYR A 119 -16.957 -0.543 13.297 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.879 -1.595 13.377 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.387 0.745 12.962 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.233 -1.360 13.117 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.742 0.981 12.702 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.665 -0.071 12.782 1.00 0.00 C ATOM 1899 OH TYR A 119 -20.999 0.162 12.523 1.00 0.00 O ATOM 0 H TYR A 119 -16.917 -1.963 15.741 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.204 -0.774 15.300 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.881 -0.045 13.090 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.201 -1.767 13.164 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.544 -2.588 13.640 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.675 1.555 12.904 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -19.944 -2.171 13.175 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.076 1.974 12.440 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.130 1.109 12.307 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.262 1.595 15.581 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.858 2.852 16.117 1.00 0.00 C ATOM 1911 C ARG A 120 -15.571 4.013 15.165 1.00 0.00 C ATOM 1912 O ARG A 120 -14.573 4.036 14.472 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.250 3.185 17.483 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.681 2.142 18.518 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.109 2.524 19.891 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.362 1.419 20.863 1.00 0.00 N ATOM 1917 CZ ARG A 120 -16.458 1.402 21.571 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -17.331 2.367 21.457 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -16.686 0.416 22.396 1.00 0.00 N ATOM 0 H ARG A 120 -14.335 1.694 15.168 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.934 2.706 16.216 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.163 3.209 17.410 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.570 4.178 17.800 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.769 2.089 18.566 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.326 1.154 18.225 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.039 2.713 19.811 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.570 3.446 20.245 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.675 0.674 20.974 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -17.157 3.138 20.812 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -18.186 2.349 22.013 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -16.008 -0.340 22.487 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -17.542 0.402 22.950 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.425 4.997 15.164 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.197 6.190 14.305 1.00 0.00 C ATOM 1935 C TRP A 121 -15.817 7.342 15.230 1.00 0.00 C ATOM 1936 O TRP A 121 -16.631 7.835 15.987 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.472 6.533 13.528 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.549 5.669 12.310 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.275 4.535 12.209 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.883 5.848 11.023 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -18.099 4.002 10.941 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.251 4.776 10.175 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.010 6.826 10.517 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.764 4.674 8.871 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.517 6.727 9.203 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.895 5.654 8.384 1.00 0.00 C ATOM 0 H TRP A 121 -17.276 5.026 15.725 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.407 6.000 13.579 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.349 6.377 14.156 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.467 7.585 13.243 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.892 4.112 12.988 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.542 3.143 10.614 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.716 7.658 11.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -17.056 3.845 8.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.844 7.482 8.823 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.514 5.585 7.376 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.578 7.740 15.211 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.134 8.829 16.125 1.00 0.00 C ATOM 1959 C LEU A 122 -13.350 9.882 15.355 1.00 0.00 C ATOM 1960 O LEU A 122 -13.072 9.738 14.182 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.220 8.255 17.203 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.585 6.798 17.500 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.506 5.873 16.936 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.690 6.606 19.016 1.00 0.00 C ATOM 0 H LEU A 122 -13.853 7.360 14.603 1.00 0.00 H new ATOM 0 HA LEU A 122 -15.020 9.280 16.573 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.182 8.316 16.877 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.304 8.849 18.113 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.540 6.557 17.034 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.768 4.836 17.149 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.432 6.015 15.858 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.547 6.107 17.399 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.950 5.570 19.234 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.733 6.846 19.480 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.462 7.265 19.414 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.979 10.939 16.023 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.195 12.009 15.355 1.00 0.00 C ATOM 1978 C GLY A 123 -10.706 11.666 15.431 1.00 0.00 C ATOM 1979 O GLY A 123 -10.319 10.637 15.948 1.00 0.00 O ATOM 0 H GLY A 123 -13.187 11.106 17.007 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.505 12.107 14.315 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.384 12.969 15.836 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.869 12.525 14.923 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.405 12.262 14.964 1.00 0.00 C ATOM 1985 C LEU A 124 -7.952 12.086 16.416 1.00 0.00 C ATOM 1986 O LEU A 124 -7.094 11.282 16.715 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.666 13.455 14.345 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.153 13.258 14.456 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.767 11.869 13.949 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.448 14.316 13.604 1.00 0.00 C ATOM 0 H LEU A 124 -10.138 13.403 14.479 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.182 11.354 14.404 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.950 13.564 13.298 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.958 14.375 14.852 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.854 13.354 15.500 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.688 11.738 14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.272 11.110 14.547 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.066 11.766 12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.369 14.182 13.678 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.757 14.210 12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.716 15.310 13.963 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.507 12.856 17.313 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.096 12.768 18.744 1.00 0.00 C ATOM 2004 C GLU A 125 -8.315 11.355 19.302 1.00 0.00 C ATOM 2005 O GLU A 125 -7.395 10.748 19.805 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.908 13.774 19.567 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.335 13.863 19.013 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.152 14.839 19.861 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.643 15.278 20.879 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -12.273 15.132 19.477 1.00 0.00 O ATOM 0 H GLU A 125 -9.232 13.546 17.115 1.00 0.00 H new ATOM 0 HA GLU A 125 -7.033 12.998 18.810 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.932 13.468 20.613 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.433 14.754 19.533 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.313 14.196 17.975 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.802 12.878 19.022 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.514 10.822 19.235 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.736 9.449 19.789 1.00 0.00 C ATOM 2020 C GLU A 126 -9.043 8.439 18.897 1.00 0.00 C ATOM 2021 O GLU A 126 -8.373 7.532 19.351 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.222 9.106 19.822 1.00 0.00 C ATOM 2023 CG GLU A 126 -12.051 10.385 19.857 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.605 11.251 21.032 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.972 12.412 21.059 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.901 10.738 21.885 1.00 0.00 O ATOM 0 H GLU A 126 -10.335 11.270 18.828 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.337 9.421 20.803 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.487 8.515 18.945 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.443 8.495 20.697 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.932 10.933 18.922 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -13.109 10.142 19.952 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.190 8.604 17.620 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.540 7.673 16.676 1.00 0.00 C ATOM 2036 C ALA A 127 -7.067 7.627 17.037 1.00 0.00 C ATOM 2037 O ALA A 127 -6.405 6.617 16.905 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.709 8.211 15.258 1.00 0.00 C ATOM 0 H ALA A 127 -9.736 9.349 17.188 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.979 6.677 16.730 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.233 7.531 14.552 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.770 8.292 15.024 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.245 9.195 15.184 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.557 8.725 17.513 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.132 8.779 17.908 1.00 0.00 C ATOM 2046 C CYS A 128 -4.934 7.997 19.210 1.00 0.00 C ATOM 2047 O CYS A 128 -4.125 7.095 19.276 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.721 10.237 18.105 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.883 10.832 16.614 1.00 0.00 S ATOM 0 H CYS A 128 -7.074 9.594 17.645 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.514 8.333 17.129 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.599 10.849 18.311 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.060 10.327 18.967 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.534 12.073 16.779 1.00 0.00 H new ATOM 2055 N GLN A 129 -5.664 8.319 20.251 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.475 7.553 21.521 1.00 0.00 C ATOM 2057 C GLN A 129 -5.766 6.082 21.240 1.00 0.00 C ATOM 2058 O GLN A 129 -5.006 5.207 21.610 1.00 0.00 O ATOM 2059 CB GLN A 129 -6.415 8.012 22.653 1.00 0.00 C ATOM 2060 CG GLN A 129 -7.392 9.084 22.198 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.799 8.547 22.441 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -9.114 7.379 21.950 1.00 0.00 O flip ATOM 2063 NE2 GLN A 129 -9.613 9.185 23.078 1.00 0.00 N flip ATOM 0 H GLN A 129 -6.365 9.060 20.278 1.00 0.00 H new ATOM 0 HA GLN A 129 -4.450 7.723 21.852 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.971 7.154 23.030 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -5.820 8.395 23.482 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -7.233 10.009 22.752 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.246 9.315 21.143 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.361 10.097 23.459 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.549 8.809 23.232 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.859 5.797 20.583 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.184 4.377 20.279 1.00 0.00 C ATOM 2074 C LEU A 130 -6.009 3.773 19.522 1.00 0.00 C ATOM 2075 O LEU A 130 -5.502 2.724 19.863 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.431 4.307 19.398 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.667 4.702 20.203 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.733 5.210 19.241 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.210 3.481 20.944 1.00 0.00 C ATOM 0 H LEU A 130 -7.535 6.482 20.247 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.369 3.832 21.205 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.318 4.972 18.541 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.551 3.298 19.005 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.404 5.476 20.924 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.623 5.496 19.802 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.352 6.076 18.699 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.989 4.422 18.532 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.092 3.766 21.518 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.480 2.708 20.224 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.446 3.096 21.620 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.552 4.454 18.507 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.389 3.951 17.736 1.00 0.00 C ATOM 2093 C ALA A 131 -3.126 4.300 18.514 1.00 0.00 C ATOM 2094 O ALA A 131 -2.239 4.966 18.020 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.355 4.618 16.362 1.00 0.00 C ATOM 0 H ALA A 131 -5.938 5.340 18.180 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.461 2.872 17.595 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.499 4.246 15.798 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.273 4.387 15.822 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.268 5.698 16.484 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.060 3.871 19.743 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.880 4.188 20.596 1.00 0.00 C ATOM 2103 C GLN A 132 -0.601 4.151 19.763 1.00 0.00 C ATOM 2104 O GLN A 132 0.285 4.965 19.940 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.765 3.162 21.726 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.915 2.146 21.648 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.134 2.679 22.410 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -3.959 3.477 23.427 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -5.255 2.364 22.077 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.780 3.309 20.198 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.013 5.186 21.014 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.809 2.644 21.659 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.785 3.670 22.690 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.178 1.961 20.607 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.599 1.193 22.071 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -5.395 1.740 21.282 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -6.060 2.723 22.591 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.485 3.224 18.857 1.00 0.00 N ATOM 2119 CA PHE A 133 0.748 3.162 18.030 1.00 0.00 C ATOM 2120 C PHE A 133 1.024 4.554 17.452 1.00 0.00 C ATOM 2121 O PHE A 133 0.193 5.134 16.779 1.00 0.00 O ATOM 2122 CB PHE A 133 0.547 2.166 16.886 1.00 0.00 C ATOM 2123 CG PHE A 133 -0.105 0.898 17.398 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.016 0.522 18.744 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -0.836 0.095 16.514 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.597 -0.652 19.200 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.447 -1.080 16.970 1.00 0.00 C ATOM 2128 CZ PHE A 133 -1.329 -1.453 18.314 1.00 0.00 C ATOM 0 H PHE A 133 -1.186 2.511 18.654 1.00 0.00 H new ATOM 0 HA PHE A 133 1.590 2.839 18.643 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.074 2.614 16.110 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.508 1.929 16.428 1.00 0.00 H new ATOM 0 HD1 PHE A 133 0.581 1.137 19.428 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.929 0.383 15.477 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -0.505 -0.940 20.237 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.009 -1.698 16.285 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.802 -2.357 18.668 1.00 0.00 H new ATOM 2138 N LYS A 134 2.180 5.095 17.717 1.00 0.00 N ATOM 2139 CA LYS A 134 2.517 6.454 17.199 1.00 0.00 C ATOM 2140 C LYS A 134 2.419 6.482 15.672 1.00 0.00 C ATOM 2141 O LYS A 134 2.050 7.476 15.081 1.00 0.00 O ATOM 2142 CB LYS A 134 3.942 6.809 17.629 1.00 0.00 C ATOM 2143 CG LYS A 134 4.314 8.198 17.102 1.00 0.00 C ATOM 2144 CD LYS A 134 5.749 8.534 17.517 1.00 0.00 C ATOM 2145 CE LYS A 134 6.093 9.954 17.064 1.00 0.00 C ATOM 2146 NZ LYS A 134 7.332 9.926 16.239 1.00 0.00 N ATOM 0 H LYS A 134 2.912 4.653 18.273 1.00 0.00 H new ATOM 0 HA LYS A 134 1.812 7.179 17.605 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.019 6.790 18.716 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.642 6.066 17.247 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.223 8.223 16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.625 8.945 17.497 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.855 8.450 18.599 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.444 7.821 17.073 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.269 10.373 16.487 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.235 10.599 17.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.566 10.891 15.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 8.117 9.543 16.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 7.180 9.324 15.405 1.00 0.00 H new ATOM 2160 N GLU A 135 2.772 5.408 15.033 1.00 0.00 N ATOM 2161 CA GLU A 135 2.729 5.367 13.540 1.00 0.00 C ATOM 2162 C GLU A 135 1.324 5.682 13.048 1.00 0.00 C ATOM 2163 O GLU A 135 1.128 6.401 12.086 1.00 0.00 O ATOM 2164 CB GLU A 135 3.072 3.950 13.092 1.00 0.00 C ATOM 2165 CG GLU A 135 4.236 3.434 13.925 1.00 0.00 C ATOM 2166 CD GLU A 135 4.590 2.017 13.482 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.850 1.466 12.683 1.00 0.00 O ATOM 2168 OE2 GLU A 135 5.593 1.505 13.949 1.00 0.00 O ATOM 0 H GLU A 135 3.091 4.548 15.479 1.00 0.00 H new ATOM 0 HA GLU A 135 3.432 6.097 13.139 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.206 3.298 13.210 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.334 3.943 12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.099 4.089 13.808 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.971 3.441 14.982 1.00 0.00 H new ATOM 2176 N MET A 136 0.343 5.127 13.691 1.00 0.00 N ATOM 2177 CA MET A 136 -1.051 5.365 13.258 1.00 0.00 C ATOM 2178 C MET A 136 -1.503 6.734 13.740 1.00 0.00 C ATOM 2179 O MET A 136 -2.055 7.513 12.990 1.00 0.00 O ATOM 2180 CB MET A 136 -1.926 4.274 13.849 1.00 0.00 C ATOM 2181 CG MET A 136 -1.314 2.916 13.488 1.00 0.00 C ATOM 2182 SD MET A 136 -1.002 2.832 11.704 1.00 0.00 S ATOM 2183 CE MET A 136 -2.626 3.378 11.127 1.00 0.00 C ATOM 0 H MET A 136 0.449 4.516 14.501 1.00 0.00 H new ATOM 0 HA MET A 136 -1.126 5.342 12.171 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.992 4.385 14.931 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.941 4.349 13.459 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.383 2.770 14.036 1.00 0.00 H new ATOM 0 HG3 MET A 136 -1.988 2.113 13.786 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.797 3.006 10.117 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.398 2.991 11.792 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.663 4.467 11.123 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.241 7.061 14.972 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.634 8.407 15.446 1.00 0.00 C ATOM 2195 C LYS A 137 -1.012 9.398 14.480 1.00 0.00 C ATOM 2196 O LYS A 137 -1.551 10.452 14.216 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.106 8.639 16.865 1.00 0.00 C ATOM 2198 CG LYS A 137 -2.059 7.986 17.867 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.274 7.177 18.900 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.493 8.104 19.835 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.213 9.401 19.155 1.00 0.00 N ATOM 0 H LYS A 137 -0.780 6.464 15.659 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.718 8.518 15.478 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.106 8.218 16.968 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.024 9.707 17.066 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.650 8.752 18.369 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.759 7.336 17.342 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.958 6.559 19.481 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.586 6.501 18.393 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.064 8.279 20.747 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.443 7.630 20.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.288 10.035 19.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.378 9.233 18.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.109 9.841 18.864 1.00 0.00 H new ATOM 2215 N ALA A 138 0.112 9.032 13.923 1.00 0.00 N ATOM 2216 CA ALA A 138 0.784 9.909 12.929 1.00 0.00 C ATOM 2217 C ALA A 138 0.062 9.763 11.585 1.00 0.00 C ATOM 2218 O ALA A 138 -0.338 10.731 10.970 1.00 0.00 O ATOM 2219 CB ALA A 138 2.239 9.483 12.764 1.00 0.00 C ATOM 0 H ALA A 138 0.595 8.155 14.118 1.00 0.00 H new ATOM 0 HA ALA A 138 0.751 10.944 13.268 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.727 10.129 12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.753 9.565 13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.279 8.450 12.418 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.118 8.545 11.134 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.823 8.324 9.841 1.00 0.00 C ATOM 2227 C ALA A 139 -2.173 9.024 9.906 1.00 0.00 C ATOM 2228 O ALA A 139 -2.524 9.809 9.048 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.056 6.828 9.634 1.00 0.00 C ATOM 0 H ALA A 139 0.194 7.697 11.608 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.224 8.717 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.572 6.668 8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.097 6.309 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.665 6.438 10.450 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.915 8.758 10.939 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.231 9.420 11.096 1.00 0.00 C ATOM 2237 C LEU A 140 -3.977 10.920 11.213 1.00 0.00 C ATOM 2238 O LEU A 140 -4.811 11.743 10.890 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.906 8.905 12.373 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.989 7.373 12.333 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.872 6.816 13.756 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.334 6.941 11.748 1.00 0.00 C ATOM 0 H LEU A 140 -2.664 8.108 11.684 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.881 9.208 10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.342 9.225 13.249 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.905 9.331 12.465 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.177 6.991 11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.931 5.728 13.727 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.917 7.116 14.187 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.685 7.207 14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.387 5.853 11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.142 7.329 12.368 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.433 7.333 10.736 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.812 11.272 11.694 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.460 12.707 11.868 1.00 0.00 C ATOM 2256 C GLN A 141 -2.117 13.355 10.528 1.00 0.00 C ATOM 2257 O GLN A 141 -2.655 14.386 10.172 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.237 12.790 12.774 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.639 13.361 14.128 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.856 14.866 13.995 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.362 15.344 12.891 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.555 15.617 14.902 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.084 10.616 11.976 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.313 13.231 12.299 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.799 11.800 12.902 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.474 13.419 12.315 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.551 12.880 14.482 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.864 13.157 14.866 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -1.160 15.242 15.764 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.698 16.622 14.801 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.217 12.777 9.785 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.841 13.383 8.479 1.00 0.00 C ATOM 2273 C GLU A 142 -2.035 13.329 7.523 1.00 0.00 C ATOM 2274 O GLU A 142 -2.265 14.238 6.746 1.00 0.00 O ATOM 2275 CB GLU A 142 0.341 12.618 7.890 1.00 0.00 C ATOM 2276 CG GLU A 142 1.530 12.721 8.847 1.00 0.00 C ATOM 2277 CD GLU A 142 2.753 12.051 8.223 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.589 11.395 7.210 1.00 0.00 O ATOM 2279 OE2 GLU A 142 3.835 12.206 8.766 1.00 0.00 O ATOM 0 H GLU A 142 -0.727 11.915 10.024 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.556 14.425 8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.073 11.573 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.606 13.028 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.747 13.767 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.287 12.244 9.797 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.806 12.275 7.576 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.984 12.178 6.675 1.00 0.00 C ATOM 2289 C GLY A 143 -4.874 13.400 6.894 1.00 0.00 C ATOM 2290 O GLY A 143 -5.276 14.060 5.961 1.00 0.00 O ATOM 0 H GLY A 143 -2.669 11.482 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.661 12.128 5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.541 11.264 6.880 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.168 13.718 8.126 1.00 0.00 N ATOM 2295 CA HIS A 144 -6.013 14.910 8.399 1.00 0.00 C ATOM 2296 C HIS A 144 -5.255 16.158 7.943 1.00 0.00 C ATOM 2297 O HIS A 144 -5.811 17.055 7.341 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.291 15.000 9.901 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.258 16.119 10.174 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -6.872 17.451 10.145 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.593 16.122 10.495 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -7.955 18.195 10.445 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -9.025 17.430 10.667 1.00 0.00 N ATOM 0 H HIS A 144 -4.859 13.204 8.951 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.959 14.832 7.863 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.701 14.057 10.261 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.361 15.171 10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -9.211 15.243 10.598 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -7.956 19.274 10.499 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -9.965 17.741 10.912 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.986 16.214 8.243 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.165 17.392 7.849 1.00 0.00 C ATOM 2314 C GLN A 145 -3.157 17.546 6.329 1.00 0.00 C ATOM 2315 O GLN A 145 -3.266 18.635 5.803 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.729 17.179 8.323 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.936 18.467 8.112 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.399 19.515 9.123 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.234 19.343 10.314 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.976 20.603 8.697 1.00 0.00 N ATOM 0 H GLN A 145 -3.480 15.487 8.749 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.590 18.287 8.302 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.718 16.899 9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.269 16.359 7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.130 18.275 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -1.081 18.835 7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -2.115 20.749 7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -2.289 21.309 9.363 1.00 0.00 H new ATOM 2329 N PHE A 146 -3.006 16.465 5.620 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.965 16.546 4.135 1.00 0.00 C ATOM 2331 C PHE A 146 -4.352 16.871 3.574 1.00 0.00 C ATOM 2332 O PHE A 146 -4.515 17.790 2.797 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.488 15.209 3.576 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.424 15.294 2.074 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.591 15.141 1.329 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.204 15.521 1.431 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.545 15.215 -0.066 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.156 15.598 0.034 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.328 15.445 -0.715 1.00 0.00 C ATOM 0 H PHE A 146 -2.909 15.526 6.006 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.279 17.340 3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.506 14.962 3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.167 14.412 3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.532 14.965 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.300 15.637 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.450 15.094 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.215 15.775 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.293 15.504 -1.793 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.351 16.126 3.950 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.717 16.402 3.424 1.00 0.00 C ATOM 2351 C LEU A 147 -7.088 17.859 3.691 1.00 0.00 C ATOM 2352 O LEU A 147 -7.787 18.481 2.915 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.723 15.471 4.099 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.414 14.021 3.712 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.466 13.095 4.307 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.437 13.875 2.193 1.00 0.00 C ATOM 0 H LEU A 147 -5.283 15.340 4.597 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.734 16.225 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.674 15.588 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.737 15.732 3.796 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.428 13.758 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.243 12.065 4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.460 13.188 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.450 13.369 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.217 12.842 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.423 14.146 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.687 14.533 1.753 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.620 18.417 4.770 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.937 19.842 5.066 1.00 0.00 C ATOM 2370 C CYS A 148 -6.162 20.737 4.096 1.00 0.00 C ATOM 2371 O CYS A 148 -6.419 21.920 3.986 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.522 20.169 6.502 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.450 19.117 7.650 1.00 0.00 S ATOM 0 H CYS A 148 -6.032 17.950 5.460 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.007 20.013 4.951 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.451 20.008 6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.714 21.220 6.718 1.00 0.00 H new ATOM 0 HG CYS A 148 -6.642 18.264 8.207 1.00 0.00 H new ATOM 2379 N SER A 149 -5.202 20.183 3.404 1.00 0.00 N ATOM 2380 CA SER A 149 -4.392 20.998 2.447 1.00 0.00 C ATOM 2381 C SER A 149 -5.017 20.980 1.053 1.00 0.00 C ATOM 2382 O SER A 149 -4.561 21.664 0.157 1.00 0.00 O ATOM 2383 CB SER A 149 -2.981 20.424 2.368 1.00 0.00 C ATOM 2384 OG SER A 149 -2.231 20.867 3.488 1.00 0.00 O ATOM 0 H SER A 149 -4.942 19.198 3.459 1.00 0.00 H new ATOM 0 HA SER A 149 -4.364 22.027 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 149 -3.020 19.335 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.498 20.742 1.444 1.00 0.00 H new ATOM 0 HG SER A 149 -1.324 20.498 3.441 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.044 20.204 0.841 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.657 20.163 -0.514 1.00 0.00 C ATOM 2392 C ILE A 150 -7.733 21.246 -0.621 1.00 0.00 C ATOM 2393 O ILE A 150 -7.490 22.406 -0.349 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.288 18.788 -0.767 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.579 17.716 0.062 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.145 18.436 -2.247 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.357 16.405 -0.056 1.00 0.00 C ATOM 0 H ILE A 150 -6.481 19.603 1.540 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.882 20.341 -1.260 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.340 18.826 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.557 17.581 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.517 18.025 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.592 17.459 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.653 19.188 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.089 18.409 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.860 15.633 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.371 16.549 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.395 16.097 -1.101 1.00 0.00 H new