USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 988 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 128 CYS SG : rot -84:sc= 0.0847 USER MOD Set 1.2: A 129 GLN :FLIP amide:sc= -6.31! C(o=-8.6!,f=-6.2!) USER MOD Set 2.1: A 19 CYS SG : rot 60:sc= 0.326 USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 86 ASN :FLIP amide:sc= -4.21! C(o=-11!,f=-4.2!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 44 THR OG1 : rot 83:sc= -2.17! USER MOD Set 4.2: A 47 LYS NZ :NH3+ -171:sc= 0.23 (180deg=-0.129) USER MOD Single : A 11 CYS SG : rot -104:sc= -11.5! USER MOD Single : A 35 GLN :FLIP amide:sc= -0.129 F(o=-1.6!,f=-0.13) USER MOD Single : A 37 SER OG : rot -33:sc= 0.0717 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.47 F(o=-4.8!,f=-1.5) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -2.97! C(o=-7.1!,f=-3!) USER MOD Single : A 59 THR OG1 : rot -72:sc= -3.81! USER MOD Single : A 64 THR OG1 : rot 83:sc= -3.35! USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 74 GLN : amide:sc= -5.43! C(o=-5.4!,f=-9.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0808) USER MOD Single : A 98 TYR OH : rot -161:sc= -0.291 USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -4.53! (180deg=-7.49!) USER MOD Single : A 113 SER OG : rot 170:sc= 0.422 USER MOD Single : A 114 HIS :FLIP no HD1:sc= -2.8! C(o=-3.7!,f=-2.8!) USER MOD Single : A 116 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-1.9) USER MOD Single : A 117 GLN :FLIP amide:sc= -1.54 F(o=-2.7!,f=-1.5) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 GLN :FLIP amide:sc= -0.0136 F(o=-1.6!,f=-0.014) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -126:sc= -6.43! (180deg=-14.5!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.0017 F(o=-1.4!,f=-0.0017) USER MOD Single : A 144 HIS : no HE2:sc= -15.1! C(o=-15!,f=-21!) USER MOD Single : A 145 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 148 CYS SG : rot 57:sc= 0.665 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ARG A 9 12.158 -3.537 -7.111 1.00 0.00 N ATOM 106 CA ARG A 9 11.264 -2.445 -7.573 1.00 0.00 C ATOM 107 C ARG A 9 10.229 -3.038 -8.530 1.00 0.00 C ATOM 108 O ARG A 9 10.567 -3.637 -9.531 1.00 0.00 O ATOM 109 CB ARG A 9 12.096 -1.356 -8.269 1.00 0.00 C ATOM 110 CG ARG A 9 11.762 -1.289 -9.764 1.00 0.00 C ATOM 111 CD ARG A 9 12.521 -0.120 -10.397 1.00 0.00 C ATOM 112 NE ARG A 9 13.978 -0.426 -10.425 1.00 0.00 N ATOM 113 CZ ARG A 9 14.791 0.342 -11.099 1.00 0.00 C ATOM 114 NH1 ARG A 9 14.325 1.374 -11.747 1.00 0.00 N ATOM 115 NH2 ARG A 9 16.070 0.078 -11.122 1.00 0.00 N ATOM 0 HA ARG A 9 10.750 -1.988 -6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.900 -0.390 -7.804 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.158 -1.564 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.037 -2.224 -10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.689 -1.160 -9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.157 0.057 -11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.342 0.793 -9.829 1.00 0.00 H new ATOM 0 HE ARG A 9 14.340 -1.234 -9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.326 1.580 -11.727 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.959 1.974 -12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.434 -0.728 -10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.705 0.678 -11.648 1.00 0.00 H new ATOM 129 N ALA A 10 8.974 -2.887 -8.226 1.00 0.00 N ATOM 130 CA ALA A 10 7.924 -3.450 -9.116 1.00 0.00 C ATOM 131 C ALA A 10 7.244 -2.310 -9.862 1.00 0.00 C ATOM 132 O ALA A 10 7.454 -1.150 -9.572 1.00 0.00 O ATOM 133 CB ALA A 10 6.887 -4.209 -8.286 1.00 0.00 C ATOM 0 H ALA A 10 8.629 -2.398 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 10 8.381 -4.139 -9.827 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.122 -4.618 -8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.375 -5.022 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.424 -3.528 -7.571 1.00 0.00 H new ATOM 139 N CYS A 11 6.447 -2.625 -10.833 1.00 0.00 N ATOM 140 CA CYS A 11 5.774 -1.552 -11.601 1.00 0.00 C ATOM 141 C CYS A 11 4.362 -2.005 -11.984 1.00 0.00 C ATOM 142 O CYS A 11 4.124 -3.167 -12.251 1.00 0.00 O ATOM 143 CB CYS A 11 6.602 -1.261 -12.848 1.00 0.00 C ATOM 144 SG CYS A 11 8.165 -2.168 -12.746 1.00 0.00 S ATOM 0 H CYS A 11 6.232 -3.577 -11.129 1.00 0.00 H new ATOM 0 HA CYS A 11 5.692 -0.646 -11.001 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.053 -1.557 -13.742 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.793 -0.191 -12.931 1.00 0.00 H new ATOM 0 HG CYS A 11 9.124 -1.347 -12.436 1.00 0.00 H new ATOM 150 N GLY A 12 3.420 -1.101 -12.002 1.00 0.00 N ATOM 151 CA GLY A 12 2.025 -1.493 -12.356 1.00 0.00 C ATOM 152 C GLY A 12 1.338 -0.356 -13.116 1.00 0.00 C ATOM 153 O GLY A 12 1.895 0.711 -13.293 1.00 0.00 O ATOM 0 H GLY A 12 3.555 -0.113 -11.788 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.036 -2.395 -12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.464 -1.728 -11.451 1.00 0.00 H new ATOM 157 N LEU A 13 0.131 -0.576 -13.561 1.00 0.00 N ATOM 158 CA LEU A 13 -0.598 0.492 -14.305 1.00 0.00 C ATOM 159 C LEU A 13 -1.850 0.914 -13.549 1.00 0.00 C ATOM 160 O LEU A 13 -2.731 0.113 -13.303 1.00 0.00 O ATOM 161 CB LEU A 13 -1.076 -0.034 -15.666 1.00 0.00 C ATOM 162 CG LEU A 13 0.080 -0.218 -16.641 1.00 0.00 C ATOM 163 CD1 LEU A 13 -0.495 -0.571 -18.013 1.00 0.00 C ATOM 164 CD2 LEU A 13 0.863 1.082 -16.761 1.00 0.00 C ATOM 0 H LEU A 13 -0.383 -1.449 -13.442 1.00 0.00 H new ATOM 0 HA LEU A 13 0.092 1.328 -14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.589 -0.986 -15.528 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.801 0.661 -16.090 1.00 0.00 H new ATOM 0 HG LEU A 13 0.740 -1.009 -16.284 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.319 -0.707 -18.725 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.070 -1.494 -17.940 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.144 0.235 -18.354 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.689 0.946 -17.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.205 1.871 -17.126 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.256 1.361 -15.784 1.00 0.00 H new ATOM 176 N ILE A 14 -1.991 2.172 -13.248 1.00 0.00 N ATOM 177 CA ILE A 14 -3.250 2.604 -12.600 1.00 0.00 C ATOM 178 C ILE A 14 -4.312 2.500 -13.684 1.00 0.00 C ATOM 179 O ILE A 14 -4.554 3.435 -14.420 1.00 0.00 O ATOM 180 CB ILE A 14 -3.132 4.057 -12.134 1.00 0.00 C ATOM 181 CG1 ILE A 14 -2.144 4.140 -10.972 1.00 0.00 C ATOM 182 CG2 ILE A 14 -4.500 4.581 -11.698 1.00 0.00 C ATOM 183 CD1 ILE A 14 -2.663 3.328 -9.782 1.00 0.00 C ATOM 0 H ILE A 14 -1.303 2.905 -13.419 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.487 1.996 -11.727 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.770 4.671 -12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.171 3.761 -11.284 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.002 5.180 -10.679 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.405 5.616 -11.368 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.194 4.530 -12.537 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.878 3.972 -10.877 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.952 3.394 -8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.626 3.726 -9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.782 2.285 -10.077 1.00 0.00 H new ATOM 195 N ILE A 15 -4.916 1.357 -13.825 1.00 0.00 N ATOM 196 CA ILE A 15 -5.920 1.201 -14.907 1.00 0.00 C ATOM 197 C ILE A 15 -7.252 1.787 -14.484 1.00 0.00 C ATOM 198 O ILE A 15 -7.736 1.559 -13.393 1.00 0.00 O ATOM 199 CB ILE A 15 -6.111 -0.271 -15.254 1.00 0.00 C ATOM 200 CG1 ILE A 15 -4.812 -0.837 -15.834 1.00 0.00 C ATOM 201 CG2 ILE A 15 -7.237 -0.390 -16.283 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.040 -2.285 -16.274 1.00 0.00 C ATOM 0 H ILE A 15 -4.760 0.533 -13.245 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.552 1.733 -15.784 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.370 -0.835 -14.358 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.487 -0.235 -16.682 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.018 -0.793 -15.088 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.385 -1.439 -16.541 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.158 0.014 -15.863 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.971 0.170 -17.180 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.116 -2.689 -16.687 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.345 -2.882 -15.415 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.821 -2.316 -17.034 1.00 0.00 H new ATOM 214 N PHE A 16 -7.852 2.527 -15.360 1.00 0.00 N ATOM 215 CA PHE A 16 -9.167 3.125 -15.046 1.00 0.00 C ATOM 216 C PHE A 16 -9.957 3.278 -16.342 1.00 0.00 C ATOM 217 O PHE A 16 -9.400 3.422 -17.412 1.00 0.00 O ATOM 218 CB PHE A 16 -8.977 4.495 -14.402 1.00 0.00 C ATOM 219 CG PHE A 16 -8.508 5.472 -15.444 1.00 0.00 C ATOM 220 CD1 PHE A 16 -9.436 6.080 -16.293 1.00 0.00 C ATOM 221 CD2 PHE A 16 -7.148 5.766 -15.562 1.00 0.00 C ATOM 222 CE1 PHE A 16 -9.006 6.985 -17.263 1.00 0.00 C ATOM 223 CE2 PHE A 16 -6.713 6.672 -16.531 1.00 0.00 C ATOM 224 CZ PHE A 16 -7.644 7.285 -17.384 1.00 0.00 C ATOM 0 H PHE A 16 -7.486 2.745 -16.287 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.706 2.480 -14.351 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.914 4.836 -13.962 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.250 4.432 -13.593 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.487 5.849 -16.198 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.434 5.293 -14.904 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.723 7.454 -17.920 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.662 6.901 -16.624 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.310 7.988 -18.133 1.00 0.00 H new ATOM 234 N ARG A 17 -11.248 3.244 -16.249 1.00 0.00 N ATOM 235 CA ARG A 17 -12.095 3.383 -17.464 1.00 0.00 C ATOM 236 C ARG A 17 -13.099 4.513 -17.251 1.00 0.00 C ATOM 237 O ARG A 17 -13.786 4.561 -16.249 1.00 0.00 O ATOM 238 CB ARG A 17 -12.841 2.071 -17.698 1.00 0.00 C ATOM 239 CG ARG A 17 -13.778 2.211 -18.898 1.00 0.00 C ATOM 240 CD ARG A 17 -14.591 0.927 -19.050 1.00 0.00 C ATOM 241 NE ARG A 17 -15.360 0.677 -17.800 1.00 0.00 N ATOM 242 CZ ARG A 17 -16.205 -0.314 -17.743 1.00 0.00 C ATOM 243 NH1 ARG A 17 -16.382 -1.078 -18.785 1.00 0.00 N ATOM 244 NH2 ARG A 17 -16.875 -0.538 -16.647 1.00 0.00 N ATOM 0 H ARG A 17 -11.763 3.125 -15.376 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.473 3.612 -18.330 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.129 1.264 -17.874 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.412 1.804 -16.809 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.443 3.063 -18.758 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.203 2.401 -19.804 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.271 1.013 -19.897 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.928 0.086 -19.257 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.226 1.281 -16.989 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.860 -0.900 -19.643 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.043 -1.854 -18.742 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.738 0.062 -15.834 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.536 -1.314 -16.603 1.00 0.00 H new ATOM 258 N ARG A 18 -13.195 5.422 -18.181 1.00 0.00 N ATOM 259 CA ARG A 18 -14.160 6.541 -18.022 1.00 0.00 C ATOM 260 C ARG A 18 -15.405 6.276 -18.869 1.00 0.00 C ATOM 261 O ARG A 18 -15.319 5.886 -20.017 1.00 0.00 O ATOM 262 CB ARG A 18 -13.497 7.857 -18.428 1.00 0.00 C ATOM 263 CG ARG A 18 -13.084 7.813 -19.896 1.00 0.00 C ATOM 264 CD ARG A 18 -12.007 8.872 -20.137 1.00 0.00 C ATOM 265 NE ARG A 18 -11.939 9.192 -21.590 1.00 0.00 N ATOM 266 CZ ARG A 18 -12.928 9.823 -22.161 1.00 0.00 C ATOM 267 NH1 ARG A 18 -13.972 10.170 -21.458 1.00 0.00 N ATOM 268 NH2 ARG A 18 -12.874 10.106 -23.433 1.00 0.00 N ATOM 0 H ARG A 18 -12.648 5.437 -19.042 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.463 6.615 -16.978 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.186 8.685 -18.262 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.623 8.039 -17.803 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.704 6.824 -20.152 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.946 7.999 -20.536 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.234 9.772 -19.566 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.040 8.508 -19.789 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.122 8.919 -22.137 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.014 9.948 -20.463 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.746 10.663 -21.903 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.058 9.834 -23.982 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.647 10.599 -23.879 1.00 0.00 H new ATOM 282 N CYS A 19 -16.566 6.474 -18.300 1.00 0.00 N ATOM 283 CA CYS A 19 -17.825 6.221 -19.058 1.00 0.00 C ATOM 284 C CYS A 19 -18.288 7.506 -19.744 1.00 0.00 C ATOM 285 O CYS A 19 -17.653 8.537 -19.661 1.00 0.00 O ATOM 286 CB CYS A 19 -18.919 5.738 -18.104 1.00 0.00 C ATOM 287 SG CYS A 19 -18.279 4.389 -17.079 1.00 0.00 S ATOM 0 H CYS A 19 -16.695 6.800 -17.342 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.634 5.456 -19.810 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.254 6.561 -17.472 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.786 5.398 -18.671 1.00 0.00 H new ATOM 0 HG CYS A 19 -17.257 4.811 -16.395 1.00 0.00 H new ATOM 424 N ALA A 28 -17.991 8.736 -13.933 1.00 0.00 N ATOM 425 CA ALA A 28 -17.675 8.123 -15.249 1.00 0.00 C ATOM 426 C ALA A 28 -16.329 7.403 -15.169 1.00 0.00 C ATOM 427 O ALA A 28 -16.086 6.451 -15.880 1.00 0.00 O ATOM 428 CB ALA A 28 -17.602 9.215 -16.317 1.00 0.00 C ATOM 0 HA ALA A 28 -18.455 7.408 -15.510 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.370 8.765 -17.282 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.561 9.729 -16.377 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.823 9.930 -16.054 1.00 0.00 H new ATOM 434 N ILE A 29 -15.453 7.855 -14.314 1.00 0.00 N ATOM 435 CA ILE A 29 -14.114 7.208 -14.200 1.00 0.00 C ATOM 436 C ILE A 29 -14.136 6.123 -13.123 1.00 0.00 C ATOM 437 O ILE A 29 -14.622 6.325 -12.029 1.00 0.00 O ATOM 438 CB ILE A 29 -13.077 8.271 -13.841 1.00 0.00 C ATOM 439 CG1 ILE A 29 -13.123 9.390 -14.893 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.685 7.633 -13.800 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.760 9.544 -15.576 1.00 0.00 C ATOM 0 H ILE A 29 -15.607 8.646 -13.688 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.856 6.745 -15.152 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.297 8.693 -12.860 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.886 9.165 -15.638 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.407 10.330 -14.420 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.945 8.391 -13.544 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.669 6.842 -13.050 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.449 7.211 -14.777 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.813 10.341 -16.318 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.005 9.792 -14.830 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.491 8.609 -16.067 1.00 0.00 H new ATOM 453 N GLU A 30 -13.611 4.969 -13.439 1.00 0.00 N ATOM 454 CA GLU A 30 -13.592 3.854 -12.452 1.00 0.00 C ATOM 455 C GLU A 30 -12.198 3.221 -12.429 1.00 0.00 C ATOM 456 O GLU A 30 -11.449 3.337 -13.375 1.00 0.00 O ATOM 457 CB GLU A 30 -14.624 2.800 -12.863 1.00 0.00 C ATOM 458 CG GLU A 30 -16.011 3.441 -12.928 1.00 0.00 C ATOM 459 CD GLU A 30 -17.047 2.374 -13.281 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.109 1.996 -14.441 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.762 1.950 -12.389 1.00 0.00 O ATOM 0 H GLU A 30 -13.193 4.751 -14.343 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.834 4.236 -11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.361 2.378 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.625 1.978 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.257 3.900 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.022 4.235 -13.674 1.00 0.00 H new ATOM 469 N PHE A 31 -11.844 2.547 -11.366 1.00 0.00 N ATOM 470 CA PHE A 31 -10.495 1.908 -11.307 1.00 0.00 C ATOM 471 C PHE A 31 -10.632 0.391 -11.377 1.00 0.00 C ATOM 472 O PHE A 31 -11.563 -0.189 -10.855 1.00 0.00 O ATOM 473 CB PHE A 31 -9.790 2.267 -10.000 1.00 0.00 C ATOM 474 CG PHE A 31 -9.422 3.727 -9.989 1.00 0.00 C ATOM 475 CD1 PHE A 31 -8.509 4.229 -10.924 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.984 4.577 -9.038 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.162 5.586 -10.905 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.639 5.930 -9.014 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.729 6.438 -9.947 1.00 0.00 C ATOM 0 H PHE A 31 -12.427 2.412 -10.540 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.912 2.273 -12.152 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.440 2.042 -9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.894 1.658 -9.883 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.072 3.570 -11.660 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.688 4.188 -8.318 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.459 5.975 -11.627 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.075 6.585 -8.274 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.464 7.485 -9.929 1.00 0.00 H new ATOM 489 N LEU A 32 -9.695 -0.253 -12.008 1.00 0.00 N ATOM 490 CA LEU A 32 -9.740 -1.732 -12.113 1.00 0.00 C ATOM 491 C LEU A 32 -8.749 -2.335 -11.103 1.00 0.00 C ATOM 492 O LEU A 32 -7.549 -2.242 -11.264 1.00 0.00 O ATOM 493 CB LEU A 32 -9.380 -2.118 -13.558 1.00 0.00 C ATOM 494 CG LEU A 32 -8.910 -3.577 -13.642 1.00 0.00 C ATOM 495 CD1 LEU A 32 -10.082 -4.525 -13.408 1.00 0.00 C ATOM 496 CD2 LEU A 32 -8.341 -3.846 -15.032 1.00 0.00 C ATOM 0 H LEU A 32 -8.893 0.187 -12.459 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.732 -2.119 -11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.247 -1.975 -14.202 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.595 -1.458 -13.929 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.149 -3.743 -12.879 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.734 -5.556 -13.470 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.505 -4.344 -12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.846 -4.353 -14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.007 -4.882 -15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.112 -3.668 -15.782 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.497 -3.181 -15.215 1.00 0.00 H new ATOM 508 N LEU A 33 -9.251 -2.955 -10.062 1.00 0.00 N ATOM 509 CA LEU A 33 -8.355 -3.572 -9.033 1.00 0.00 C ATOM 510 C LEU A 33 -8.487 -5.090 -9.099 1.00 0.00 C ATOM 511 O LEU A 33 -9.495 -5.609 -9.531 1.00 0.00 O ATOM 512 CB LEU A 33 -8.759 -3.117 -7.628 1.00 0.00 C ATOM 513 CG LEU A 33 -8.403 -1.648 -7.408 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.004 -1.193 -6.078 1.00 0.00 C ATOM 515 CD2 LEU A 33 -6.880 -1.492 -7.342 1.00 0.00 C ATOM 0 H LEU A 33 -10.249 -3.061 -9.880 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.330 -3.263 -9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.831 -3.261 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.255 -3.733 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.795 -1.048 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.758 -0.145 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.087 -1.311 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.596 -1.798 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.628 -0.443 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.489 -2.087 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.438 -1.835 -8.278 1.00 0.00 H new ATOM 527 N LEU A 34 -7.480 -5.806 -8.677 1.00 0.00 N ATOM 528 CA LEU A 34 -7.556 -7.294 -8.722 1.00 0.00 C ATOM 529 C LEU A 34 -7.447 -7.892 -7.319 1.00 0.00 C ATOM 530 O LEU A 34 -6.634 -7.479 -6.517 1.00 0.00 O ATOM 531 CB LEU A 34 -6.410 -7.836 -9.577 1.00 0.00 C ATOM 532 CG LEU A 34 -6.482 -7.226 -10.972 1.00 0.00 C ATOM 533 CD1 LEU A 34 -5.498 -7.943 -11.891 1.00 0.00 C ATOM 534 CD2 LEU A 34 -7.895 -7.401 -11.521 1.00 0.00 C ATOM 0 H LEU A 34 -6.610 -5.426 -8.304 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.518 -7.573 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.453 -7.598 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.472 -8.922 -9.640 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.231 -6.167 -10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.549 -7.508 -12.889 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.487 -7.833 -11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.754 -9.001 -11.943 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.954 -6.967 -12.519 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.137 -8.463 -11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.605 -6.899 -10.864 1.00 0.00 H new ATOM 546 N GLN A 35 -8.242 -8.891 -7.032 1.00 0.00 N ATOM 547 CA GLN A 35 -8.156 -9.545 -5.699 1.00 0.00 C ATOM 548 C GLN A 35 -7.437 -10.878 -5.879 1.00 0.00 C ATOM 549 O GLN A 35 -7.951 -11.790 -6.495 1.00 0.00 O ATOM 550 CB GLN A 35 -9.552 -9.798 -5.134 1.00 0.00 C ATOM 551 CG GLN A 35 -9.487 -9.803 -3.605 1.00 0.00 C ATOM 552 CD GLN A 35 -10.852 -10.190 -3.034 1.00 0.00 C ATOM 553 OE1 GLN A 35 -11.867 -10.335 -3.843 1.00 0.00 O flip ATOM 554 NE2 GLN A 35 -10.997 -10.361 -1.841 1.00 0.00 N flip ATOM 0 H GLN A 35 -8.943 -9.278 -7.663 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.617 -8.899 -5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.241 -9.026 -5.477 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.936 -10.752 -5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.727 -10.507 -3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.195 -8.818 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.204 -10.248 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.912 -10.618 -1.470 1.00 0.00 H new ATOM 563 N ALA A 36 -6.247 -10.998 -5.368 1.00 0.00 N ATOM 564 CA ALA A 36 -5.500 -12.271 -5.539 1.00 0.00 C ATOM 565 C ALA A 36 -6.162 -13.378 -4.719 1.00 0.00 C ATOM 566 O ALA A 36 -6.365 -13.250 -3.529 1.00 0.00 O ATOM 567 CB ALA A 36 -4.057 -12.072 -5.078 1.00 0.00 C ATOM 0 H ALA A 36 -5.760 -10.273 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.509 -12.561 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.504 -13.003 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.589 -11.290 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.047 -11.781 -4.028 1.00 0.00 H new ATOM 573 N SER A 37 -6.499 -14.469 -5.353 1.00 0.00 N ATOM 574 CA SER A 37 -7.151 -15.591 -4.620 1.00 0.00 C ATOM 575 C SER A 37 -6.090 -16.611 -4.202 1.00 0.00 C ATOM 576 O SER A 37 -6.337 -17.484 -3.393 1.00 0.00 O ATOM 577 CB SER A 37 -8.177 -16.264 -5.530 1.00 0.00 C ATOM 578 OG SER A 37 -8.848 -17.287 -4.805 1.00 0.00 O ATOM 0 H SER A 37 -6.350 -14.631 -6.349 1.00 0.00 H new ATOM 0 HA SER A 37 -7.652 -15.205 -3.732 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.895 -15.529 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.683 -16.687 -6.405 1.00 0.00 H new ATOM 0 HG SER A 37 -8.228 -17.694 -4.164 1.00 0.00 H new ATOM 641 N HIS A 42 -6.184 -9.957 -1.265 1.00 0.00 N ATOM 642 CA HIS A 42 -5.971 -8.488 -1.145 1.00 0.00 C ATOM 643 C HIS A 42 -6.333 -7.818 -2.472 1.00 0.00 C ATOM 644 O HIS A 42 -6.163 -8.393 -3.527 1.00 0.00 O ATOM 645 CB HIS A 42 -4.498 -8.227 -0.842 1.00 0.00 C ATOM 646 CG HIS A 42 -3.672 -8.700 -2.008 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.538 -8.219 -3.286 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -2.859 -9.825 -1.940 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -2.659 -9.028 -3.998 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -2.279 -9.980 -3.144 1.00 0.00 N flip ATOM 0 HA HIS A 42 -6.595 -8.086 -0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.331 -7.164 -0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.201 -8.750 0.067 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.718 -10.460 -1.077 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.349 -8.910 -5.026 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.630 -10.732 -3.375 1.00 0.00 H new ATOM 659 N TRP A 43 -6.820 -6.610 -2.434 1.00 0.00 N ATOM 660 CA TRP A 43 -7.180 -5.917 -3.702 1.00 0.00 C ATOM 661 C TRP A 43 -6.029 -5.018 -4.145 1.00 0.00 C ATOM 662 O TRP A 43 -5.468 -4.283 -3.362 1.00 0.00 O ATOM 663 CB TRP A 43 -8.417 -5.048 -3.484 1.00 0.00 C ATOM 664 CG TRP A 43 -9.656 -5.869 -3.599 1.00 0.00 C ATOM 665 CD1 TRP A 43 -10.433 -6.256 -2.563 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.282 -6.398 -4.800 1.00 0.00 C ATOM 667 NE1 TRP A 43 -11.496 -6.993 -3.052 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.446 -7.110 -4.425 1.00 0.00 C ATOM 669 CE3 TRP A 43 -9.954 -6.331 -6.165 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.255 -7.735 -5.372 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -10.766 -6.962 -7.122 1.00 0.00 C ATOM 672 CH2 TRP A 43 -11.913 -7.663 -6.724 1.00 0.00 C ATOM 0 H TRP A 43 -6.984 -6.073 -1.582 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.382 -6.668 -4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.372 -4.581 -2.500 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.437 -4.243 -4.218 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.253 -6.027 -1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.227 -7.400 -2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.073 -5.792 -6.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.140 -8.271 -5.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.506 -6.907 -8.169 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.533 -8.148 -7.464 1.00 0.00 H new ATOM 683 N THR A 44 -5.682 -5.062 -5.400 1.00 0.00 N ATOM 684 CA THR A 44 -4.578 -4.198 -5.901 1.00 0.00 C ATOM 685 C THR A 44 -4.577 -4.230 -7.431 1.00 0.00 C ATOM 686 O THR A 44 -4.946 -5.220 -8.027 1.00 0.00 O ATOM 687 CB THR A 44 -3.240 -4.725 -5.377 1.00 0.00 C ATOM 688 OG1 THR A 44 -2.182 -3.937 -5.901 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.055 -6.180 -5.810 1.00 0.00 C ATOM 0 H THR A 44 -6.116 -5.661 -6.102 1.00 0.00 H new ATOM 0 HA THR A 44 -4.722 -3.175 -5.554 1.00 0.00 H new ATOM 0 HB THR A 44 -3.231 -4.668 -4.289 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.075 -3.129 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.102 -6.553 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.866 -6.786 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.066 -6.240 -6.898 1.00 0.00 H new ATOM 697 N PRO A 45 -4.152 -3.170 -8.070 1.00 0.00 N ATOM 698 CA PRO A 45 -4.102 -3.132 -9.548 1.00 0.00 C ATOM 699 C PRO A 45 -3.061 -4.109 -10.083 1.00 0.00 C ATOM 700 O PRO A 45 -2.198 -4.567 -9.362 1.00 0.00 O ATOM 701 CB PRO A 45 -3.720 -1.698 -9.916 1.00 0.00 C ATOM 702 CG PRO A 45 -3.483 -0.957 -8.641 1.00 0.00 C ATOM 703 CD PRO A 45 -3.680 -1.919 -7.463 1.00 0.00 C ATOM 0 HA PRO A 45 -5.059 -3.421 -9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.825 -1.687 -10.538 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.515 -1.225 -10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.474 -0.545 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.172 -0.116 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.749 -2.072 -6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.406 -1.527 -6.750 1.00 0.00 H new ATOM 711 N PRO A 46 -3.153 -4.431 -11.334 1.00 0.00 N ATOM 712 CA PRO A 46 -2.214 -5.382 -11.986 1.00 0.00 C ATOM 713 C PRO A 46 -0.765 -4.876 -11.958 1.00 0.00 C ATOM 714 O PRO A 46 -0.334 -4.152 -12.832 1.00 0.00 O ATOM 715 CB PRO A 46 -2.718 -5.477 -13.425 1.00 0.00 C ATOM 716 CG PRO A 46 -3.605 -4.290 -13.634 1.00 0.00 C ATOM 717 CD PRO A 46 -4.158 -3.914 -12.266 1.00 0.00 C ATOM 0 HA PRO A 46 -2.196 -6.343 -11.472 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.887 -5.471 -14.130 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.266 -6.406 -13.585 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.046 -3.460 -14.067 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.413 -4.527 -14.327 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.281 -2.836 -12.166 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.136 -4.363 -12.091 1.00 0.00 H new ATOM 725 N LYS A 47 -0.012 -5.257 -10.959 1.00 0.00 N ATOM 726 CA LYS A 47 1.407 -4.806 -10.870 1.00 0.00 C ATOM 727 C LYS A 47 2.294 -6.001 -10.517 1.00 0.00 C ATOM 728 O LYS A 47 1.955 -6.801 -9.669 1.00 0.00 O ATOM 729 CB LYS A 47 1.534 -3.737 -9.782 1.00 0.00 C ATOM 730 CG LYS A 47 1.377 -4.382 -8.407 1.00 0.00 C ATOM 731 CD LYS A 47 1.325 -3.293 -7.343 1.00 0.00 C ATOM 732 CE LYS A 47 1.360 -3.936 -5.960 1.00 0.00 C ATOM 733 NZ LYS A 47 0.074 -4.645 -5.712 1.00 0.00 N ATOM 0 H LYS A 47 -0.321 -5.863 -10.199 1.00 0.00 H new ATOM 0 HA LYS A 47 1.720 -4.388 -11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.503 -3.244 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.774 -2.969 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.467 -4.981 -8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.210 -5.057 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.168 -2.612 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.418 -2.700 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.193 -4.636 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.521 -3.175 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.033 -4.953 -4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.720 -4.003 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.010 -5.475 -6.335 1.00 0.00 H new ATOM 747 N GLY A 48 3.428 -6.133 -11.155 1.00 0.00 N ATOM 748 CA GLY A 48 4.321 -7.289 -10.842 1.00 0.00 C ATOM 749 C GLY A 48 5.756 -6.800 -10.631 1.00 0.00 C ATOM 750 O GLY A 48 6.112 -5.698 -11.003 1.00 0.00 O ATOM 0 H GLY A 48 3.773 -5.496 -11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.967 -7.801 -9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.291 -8.013 -11.656 1.00 0.00 H new ATOM 754 N HIS A 49 6.586 -7.620 -10.038 1.00 0.00 N ATOM 755 CA HIS A 49 8.002 -7.216 -9.801 1.00 0.00 C ATOM 756 C HIS A 49 8.722 -7.065 -11.140 1.00 0.00 C ATOM 757 O HIS A 49 8.247 -7.513 -12.165 1.00 0.00 O ATOM 758 CB HIS A 49 8.706 -8.278 -8.958 1.00 0.00 C ATOM 759 CG HIS A 49 10.195 -8.069 -9.028 1.00 0.00 C ATOM 760 ND1 HIS A 49 10.993 -7.010 -8.667 1.00 0.00 N flip ATOM 761 CD2 HIS A 49 11.054 -9.039 -9.525 1.00 0.00 C flip ATOM 762 CE1 HIS A 49 12.321 -7.319 -8.936 1.00 0.00 C flip ATOM 763 NE2 HIS A 49 12.306 -8.550 -9.450 1.00 0.00 N flip ATOM 0 H HIS A 49 6.342 -8.554 -9.708 1.00 0.00 H new ATOM 0 HA HIS A 49 8.021 -6.264 -9.270 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.368 -8.219 -7.923 1.00 0.00 H new ATOM 0 HB3 HIS A 49 8.450 -9.274 -9.321 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.770 -10.010 -9.903 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.185 -6.693 -8.765 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.139 -9.057 -9.749 1.00 0.00 H new ATOM 772 N VAL A 50 9.859 -6.426 -11.144 1.00 0.00 N ATOM 773 CA VAL A 50 10.596 -6.240 -12.422 1.00 0.00 C ATOM 774 C VAL A 50 11.700 -7.292 -12.548 1.00 0.00 C ATOM 775 O VAL A 50 12.565 -7.404 -11.702 1.00 0.00 O ATOM 776 CB VAL A 50 11.207 -4.830 -12.447 1.00 0.00 C ATOM 777 CG1 VAL A 50 12.696 -4.882 -12.090 1.00 0.00 C ATOM 778 CG2 VAL A 50 11.049 -4.226 -13.842 1.00 0.00 C ATOM 0 H VAL A 50 10.307 -6.026 -10.320 1.00 0.00 H new ATOM 0 HA VAL A 50 9.909 -6.356 -13.260 1.00 0.00 H new ATOM 0 HB VAL A 50 10.686 -4.215 -11.713 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.111 -3.874 -12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.816 -5.301 -11.091 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.222 -5.507 -12.812 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.483 -3.226 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.561 -4.855 -14.571 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.990 -4.166 -14.095 1.00 0.00 H new ATOM 841 N ASP A 55 11.760 -3.767 -18.350 1.00 0.00 N ATOM 842 CA ASP A 55 11.860 -2.346 -17.914 1.00 0.00 C ATOM 843 C ASP A 55 10.854 -2.080 -16.797 1.00 0.00 C ATOM 844 O ASP A 55 10.041 -2.921 -16.464 1.00 0.00 O ATOM 845 CB ASP A 55 11.543 -1.430 -19.093 1.00 0.00 C ATOM 846 CG ASP A 55 12.308 -0.111 -18.949 1.00 0.00 C ATOM 847 OD1 ASP A 55 12.088 0.768 -19.766 1.00 0.00 O ATOM 848 OD2 ASP A 55 13.099 -0.002 -18.028 1.00 0.00 O ATOM 0 HA ASP A 55 12.870 -2.152 -17.553 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.816 -1.919 -20.028 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.471 -1.236 -19.136 1.00 0.00 H new ATOM 854 N ASP A 56 10.901 -0.915 -16.214 1.00 0.00 N ATOM 855 CA ASP A 56 9.946 -0.594 -15.117 1.00 0.00 C ATOM 856 C ASP A 56 8.518 -0.532 -15.676 1.00 0.00 C ATOM 857 O ASP A 56 7.660 -1.294 -15.279 1.00 0.00 O ATOM 858 CB ASP A 56 10.313 0.757 -14.503 1.00 0.00 C ATOM 859 CG ASP A 56 11.686 0.658 -13.837 1.00 0.00 C ATOM 860 OD1 ASP A 56 12.154 -0.453 -13.649 1.00 0.00 O ATOM 861 OD2 ASP A 56 12.247 1.695 -13.527 1.00 0.00 O ATOM 0 H ASP A 56 11.559 -0.172 -16.449 1.00 0.00 H new ATOM 0 HA ASP A 56 10.000 -1.369 -14.352 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.326 1.527 -15.274 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.562 1.052 -13.770 1.00 0.00 H new ATOM 867 N LEU A 57 8.253 0.358 -16.595 1.00 0.00 N ATOM 868 CA LEU A 57 6.875 0.438 -17.165 1.00 0.00 C ATOM 869 C LEU A 57 6.572 -0.838 -17.941 1.00 0.00 C ATOM 870 O LEU A 57 5.488 -1.382 -17.860 1.00 0.00 O ATOM 871 CB LEU A 57 6.756 1.642 -18.100 1.00 0.00 C ATOM 872 CG LEU A 57 5.410 1.593 -18.834 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.274 1.993 -17.891 1.00 0.00 C ATOM 874 CD2 LEU A 57 5.443 2.556 -20.020 1.00 0.00 C ATOM 0 H LEU A 57 8.923 1.027 -16.973 1.00 0.00 H new ATOM 0 HA LEU A 57 6.162 0.552 -16.349 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.837 2.567 -17.530 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.574 1.638 -18.820 1.00 0.00 H new ATOM 0 HG LEU A 57 5.238 0.576 -19.185 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.326 1.953 -18.427 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.243 1.305 -17.046 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.443 3.006 -17.527 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.487 2.522 -20.543 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.625 3.569 -19.661 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.241 2.264 -20.703 1.00 0.00 H new ATOM 886 N GLU A 58 7.517 -1.327 -18.691 1.00 0.00 N ATOM 887 CA GLU A 58 7.265 -2.571 -19.457 1.00 0.00 C ATOM 888 C GLU A 58 6.811 -3.634 -18.469 1.00 0.00 C ATOM 889 O GLU A 58 5.947 -4.441 -18.749 1.00 0.00 O ATOM 890 CB GLU A 58 8.555 -3.003 -20.152 1.00 0.00 C ATOM 891 CG GLU A 58 8.916 -1.964 -21.214 1.00 0.00 C ATOM 892 CD GLU A 58 10.165 -2.412 -21.973 1.00 0.00 C ATOM 893 OE1 GLU A 58 10.765 -3.391 -21.561 1.00 0.00 O ATOM 894 OE2 GLU A 58 10.502 -1.769 -22.953 1.00 0.00 O ATOM 0 H GLU A 58 8.446 -0.921 -18.805 1.00 0.00 H new ATOM 0 HA GLU A 58 6.500 -2.418 -20.218 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.362 -3.096 -19.425 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.426 -3.983 -20.612 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.085 -1.835 -21.907 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.092 -0.996 -20.744 1.00 0.00 H new ATOM 902 N THR A 59 7.368 -3.605 -17.295 1.00 0.00 N ATOM 903 CA THR A 59 6.954 -4.573 -16.248 1.00 0.00 C ATOM 904 C THR A 59 5.509 -4.266 -15.857 1.00 0.00 C ATOM 905 O THR A 59 4.691 -5.151 -15.709 1.00 0.00 O ATOM 906 CB THR A 59 7.863 -4.419 -15.031 1.00 0.00 C ATOM 907 OG1 THR A 59 8.924 -5.361 -15.110 1.00 0.00 O ATOM 908 CG2 THR A 59 7.059 -4.647 -13.754 1.00 0.00 C ATOM 0 H THR A 59 8.096 -2.949 -17.014 1.00 0.00 H new ATOM 0 HA THR A 59 7.030 -5.594 -16.621 1.00 0.00 H new ATOM 0 HB THR A 59 8.278 -3.411 -15.013 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.576 -6.261 -14.935 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.712 -4.536 -12.888 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.253 -3.916 -13.696 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.637 -5.652 -13.764 1.00 0.00 H new ATOM 916 N ALA A 60 5.184 -3.006 -15.709 1.00 0.00 N ATOM 917 CA ALA A 60 3.785 -2.644 -15.355 1.00 0.00 C ATOM 918 C ALA A 60 2.890 -3.095 -16.501 1.00 0.00 C ATOM 919 O ALA A 60 1.839 -3.673 -16.302 1.00 0.00 O ATOM 920 CB ALA A 60 3.669 -1.125 -15.183 1.00 0.00 C ATOM 0 H ALA A 60 5.825 -2.220 -15.818 1.00 0.00 H new ATOM 0 HA ALA A 60 3.491 -3.124 -14.421 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.643 -0.866 -14.924 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.338 -0.797 -14.388 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.944 -0.631 -16.115 1.00 0.00 H new ATOM 926 N LEU A 61 3.325 -2.862 -17.707 1.00 0.00 N ATOM 927 CA LEU A 61 2.533 -3.302 -18.882 1.00 0.00 C ATOM 928 C LEU A 61 2.458 -4.827 -18.857 1.00 0.00 C ATOM 929 O LEU A 61 1.448 -5.419 -19.183 1.00 0.00 O ATOM 930 CB LEU A 61 3.222 -2.814 -20.162 1.00 0.00 C ATOM 931 CG LEU A 61 3.042 -1.297 -20.274 1.00 0.00 C ATOM 932 CD1 LEU A 61 4.006 -0.721 -21.309 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.610 -0.982 -20.706 1.00 0.00 C ATOM 0 H LEU A 61 4.199 -2.384 -17.928 1.00 0.00 H new ATOM 0 HA LEU A 61 1.525 -2.888 -18.853 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.282 -3.067 -20.140 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.794 -3.310 -21.033 1.00 0.00 H new ATOM 0 HG LEU A 61 3.248 -0.851 -19.301 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.865 0.358 -21.377 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.032 -0.935 -21.009 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.810 -1.174 -22.281 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.483 0.098 -20.785 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.412 -1.443 -21.674 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.912 -1.376 -19.967 1.00 0.00 H new ATOM 945 N ARG A 62 3.521 -5.463 -18.445 1.00 0.00 N ATOM 946 CA ARG A 62 3.525 -6.951 -18.363 1.00 0.00 C ATOM 947 C ARG A 62 2.487 -7.408 -17.334 1.00 0.00 C ATOM 948 O ARG A 62 1.668 -8.265 -17.601 1.00 0.00 O ATOM 949 CB ARG A 62 4.917 -7.415 -17.928 1.00 0.00 C ATOM 950 CG ARG A 62 4.934 -8.931 -17.734 1.00 0.00 C ATOM 951 CD ARG A 62 6.274 -9.337 -17.124 1.00 0.00 C ATOM 952 NE ARG A 62 6.273 -10.800 -16.839 1.00 0.00 N ATOM 953 CZ ARG A 62 6.965 -11.270 -15.836 1.00 0.00 C ATOM 954 NH1 ARG A 62 7.672 -10.462 -15.092 1.00 0.00 N ATOM 955 NH2 ARG A 62 6.952 -12.548 -15.579 1.00 0.00 N ATOM 0 H ARG A 62 4.391 -5.013 -18.160 1.00 0.00 H new ATOM 0 HA ARG A 62 3.278 -7.379 -19.335 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.654 -7.129 -18.678 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.199 -6.919 -16.999 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.115 -9.237 -17.083 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.787 -9.435 -18.689 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.086 -9.091 -17.808 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.451 -8.778 -16.205 1.00 0.00 H new ATOM 0 HE ARG A 62 5.732 -11.434 -17.427 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.684 -9.462 -15.294 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.212 -10.831 -14.309 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.402 -13.180 -16.161 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.492 -12.916 -14.796 1.00 0.00 H new ATOM 969 N ALA A 63 2.508 -6.835 -16.158 1.00 0.00 N ATOM 970 CA ALA A 63 1.516 -7.235 -15.120 1.00 0.00 C ATOM 971 C ALA A 63 0.131 -6.781 -15.569 1.00 0.00 C ATOM 972 O ALA A 63 -0.843 -7.497 -15.442 1.00 0.00 O ATOM 973 CB ALA A 63 1.869 -6.567 -13.789 1.00 0.00 C ATOM 0 H ALA A 63 3.167 -6.110 -15.874 1.00 0.00 H new ATOM 0 HA ALA A 63 1.529 -8.317 -14.989 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.143 -6.860 -13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.865 -6.880 -13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.850 -5.484 -13.909 1.00 0.00 H new ATOM 979 N THR A 64 0.043 -5.601 -16.114 1.00 0.00 N ATOM 980 CA THR A 64 -1.269 -5.100 -16.595 1.00 0.00 C ATOM 981 C THR A 64 -1.851 -6.131 -17.557 1.00 0.00 C ATOM 982 O THR A 64 -2.997 -6.522 -17.456 1.00 0.00 O ATOM 983 CB THR A 64 -1.043 -3.778 -17.326 1.00 0.00 C ATOM 984 OG1 THR A 64 -0.376 -2.876 -16.457 1.00 0.00 O ATOM 985 CG2 THR A 64 -2.382 -3.180 -17.753 1.00 0.00 C ATOM 0 H THR A 64 0.827 -4.962 -16.247 1.00 0.00 H new ATOM 0 HA THR A 64 -1.957 -4.944 -15.764 1.00 0.00 H new ATOM 0 HB THR A 64 -0.436 -3.955 -18.214 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.587 -3.058 -16.473 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.210 -2.238 -18.273 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.895 -3.874 -18.419 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.998 -3.001 -16.872 1.00 0.00 H new ATOM 993 N GLN A 65 -1.053 -6.582 -18.478 1.00 0.00 N ATOM 994 CA GLN A 65 -1.522 -7.604 -19.448 1.00 0.00 C ATOM 995 C GLN A 65 -1.582 -8.980 -18.779 1.00 0.00 C ATOM 996 O GLN A 65 -2.427 -9.791 -19.086 1.00 0.00 O ATOM 997 CB GLN A 65 -0.550 -7.657 -20.626 1.00 0.00 C ATOM 998 CG GLN A 65 -1.090 -8.611 -21.692 1.00 0.00 C ATOM 999 CD GLN A 65 -0.167 -8.594 -22.911 1.00 0.00 C ATOM 1000 OE1 GLN A 65 0.730 -7.779 -22.997 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -0.350 -9.467 -23.863 1.00 0.00 N ATOM 0 H GLN A 65 -0.086 -6.283 -18.602 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.519 -7.336 -19.797 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.419 -6.661 -21.048 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.431 -7.991 -20.287 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.158 -9.621 -21.289 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.098 -8.315 -21.982 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.103 -10.151 -23.790 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.260 -9.466 -24.680 1.00 0.00 H new ATOM 1010 N GLU A 66 -0.666 -9.265 -17.897 1.00 0.00 N ATOM 1011 CA GLU A 66 -0.654 -10.607 -17.244 1.00 0.00 C ATOM 1012 C GLU A 66 -1.582 -10.659 -16.025 1.00 0.00 C ATOM 1013 O GLU A 66 -2.428 -11.525 -15.920 1.00 0.00 O ATOM 1014 CB GLU A 66 0.777 -10.930 -16.804 1.00 0.00 C ATOM 1015 CG GLU A 66 1.633 -11.256 -18.033 1.00 0.00 C ATOM 1016 CD GLU A 66 1.089 -12.514 -18.716 1.00 0.00 C ATOM 1017 OE1 GLU A 66 1.434 -12.736 -19.865 1.00 0.00 O ATOM 1018 OE2 GLU A 66 0.337 -13.233 -18.079 1.00 0.00 O ATOM 0 H GLU A 66 0.074 -8.630 -17.599 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.013 -11.340 -17.966 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.203 -10.083 -16.266 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.774 -11.775 -16.116 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.622 -10.418 -18.730 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.670 -11.410 -17.736 1.00 0.00 H new ATOM 1026 N GLU A 67 -1.412 -9.772 -15.085 1.00 0.00 N ATOM 1027 CA GLU A 67 -2.265 -9.815 -13.860 1.00 0.00 C ATOM 1028 C GLU A 67 -3.740 -9.527 -14.183 1.00 0.00 C ATOM 1029 O GLU A 67 -4.624 -10.057 -13.541 1.00 0.00 O ATOM 1030 CB GLU A 67 -1.734 -8.812 -12.834 1.00 0.00 C ATOM 1031 CG GLU A 67 -0.354 -9.277 -12.361 1.00 0.00 C ATOM 1032 CD GLU A 67 0.123 -8.408 -11.197 1.00 0.00 C ATOM 1033 OE1 GLU A 67 1.195 -8.682 -10.682 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -0.593 -7.494 -10.832 1.00 0.00 O ATOM 0 H GLU A 67 -0.722 -9.021 -15.109 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.217 -10.822 -13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.667 -7.818 -13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.418 -8.738 -11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.400 -10.321 -12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.359 -9.220 -13.183 1.00 0.00 H new ATOM 1042 N ALA A 68 -4.025 -8.704 -15.157 1.00 0.00 N ATOM 1043 CA ALA A 68 -5.460 -8.415 -15.482 1.00 0.00 C ATOM 1044 C ALA A 68 -5.799 -8.936 -16.875 1.00 0.00 C ATOM 1045 O ALA A 68 -6.944 -9.191 -17.188 1.00 0.00 O ATOM 1046 CB ALA A 68 -5.714 -6.913 -15.446 1.00 0.00 C ATOM 0 H ALA A 68 -3.338 -8.223 -15.738 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.086 -8.912 -14.741 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.759 -6.715 -15.684 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.489 -6.530 -14.451 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.076 -6.418 -16.178 1.00 0.00 H new ATOM 1052 N GLY A 69 -4.826 -9.097 -17.724 1.00 0.00 N ATOM 1053 CA GLY A 69 -5.135 -9.604 -19.087 1.00 0.00 C ATOM 1054 C GLY A 69 -5.335 -8.433 -20.051 1.00 0.00 C ATOM 1055 O GLY A 69 -5.839 -8.608 -21.143 1.00 0.00 O ATOM 0 H GLY A 69 -3.842 -8.903 -17.537 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.323 -10.241 -19.439 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.034 -10.220 -19.059 1.00 0.00 H new ATOM 1059 N ILE A 70 -4.955 -7.239 -19.671 1.00 0.00 N ATOM 1060 CA ILE A 70 -5.152 -6.094 -20.600 1.00 0.00 C ATOM 1061 C ILE A 70 -3.820 -5.717 -21.241 1.00 0.00 C ATOM 1062 O ILE A 70 -2.863 -5.383 -20.567 1.00 0.00 O ATOM 1063 CB ILE A 70 -5.687 -4.888 -19.838 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -6.853 -5.309 -18.949 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -6.187 -3.853 -20.841 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -7.179 -4.171 -17.986 1.00 0.00 C ATOM 0 H ILE A 70 -4.525 -7.013 -18.774 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.866 -6.388 -21.369 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.892 -4.470 -19.221 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.724 -5.548 -19.559 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.596 -6.211 -18.393 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.572 -2.985 -20.306 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.365 -3.546 -21.487 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.982 -4.288 -21.447 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.012 -4.463 -17.346 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.306 -3.955 -17.370 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.452 -3.281 -18.553 1.00 0.00 H new ATOM 1078 N GLU A 71 -3.750 -5.748 -22.541 1.00 0.00 N ATOM 1079 CA GLU A 71 -2.481 -5.380 -23.219 1.00 0.00 C ATOM 1080 C GLU A 71 -2.408 -3.867 -23.368 1.00 0.00 C ATOM 1081 O GLU A 71 -3.402 -3.173 -23.289 1.00 0.00 O ATOM 1082 CB GLU A 71 -2.423 -6.027 -24.601 1.00 0.00 C ATOM 1083 CG GLU A 71 -3.544 -5.467 -25.478 1.00 0.00 C ATOM 1084 CD GLU A 71 -3.553 -6.205 -26.818 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -2.647 -6.990 -27.043 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -4.463 -5.971 -27.595 1.00 0.00 O ATOM 0 H GLU A 71 -4.516 -6.012 -23.161 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.640 -5.733 -22.621 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.455 -5.834 -25.064 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.524 -7.109 -24.512 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.506 -5.585 -24.978 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.397 -4.399 -25.639 1.00 0.00 H new ATOM 1094 N ALA A 72 -1.239 -3.349 -23.582 1.00 0.00 N ATOM 1095 CA ALA A 72 -1.102 -1.881 -23.738 1.00 0.00 C ATOM 1096 C ALA A 72 -1.814 -1.443 -25.019 1.00 0.00 C ATOM 1097 O ALA A 72 -2.252 -0.317 -25.149 1.00 0.00 O ATOM 1098 CB ALA A 72 0.376 -1.514 -23.818 1.00 0.00 C ATOM 0 H ALA A 72 -0.370 -3.878 -23.656 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.550 -1.376 -22.882 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.477 -0.435 -23.933 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.879 -1.831 -22.905 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.829 -2.014 -24.674 1.00 0.00 H new ATOM 1104 N GLY A 73 -1.927 -2.330 -25.970 1.00 0.00 N ATOM 1105 CA GLY A 73 -2.601 -1.976 -27.251 1.00 0.00 C ATOM 1106 C GLY A 73 -3.999 -1.420 -26.970 1.00 0.00 C ATOM 1107 O GLY A 73 -4.469 -0.534 -27.656 1.00 0.00 O ATOM 0 H GLY A 73 -1.580 -3.288 -25.914 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.009 -1.238 -27.791 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.672 -2.856 -27.890 1.00 0.00 H new ATOM 1111 N GLN A 74 -4.670 -1.927 -25.973 1.00 0.00 N ATOM 1112 CA GLN A 74 -6.036 -1.410 -25.667 1.00 0.00 C ATOM 1113 C GLN A 74 -5.955 -0.373 -24.542 1.00 0.00 C ATOM 1114 O GLN A 74 -6.957 0.156 -24.103 1.00 0.00 O ATOM 1115 CB GLN A 74 -6.961 -2.567 -25.266 1.00 0.00 C ATOM 1116 CG GLN A 74 -6.334 -3.378 -24.133 1.00 0.00 C ATOM 1117 CD GLN A 74 -7.079 -4.706 -23.993 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -6.621 -5.606 -23.319 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -8.218 -4.870 -24.608 1.00 0.00 N ATOM 0 H GLN A 74 -4.336 -2.671 -25.360 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.447 -0.933 -26.557 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.928 -2.176 -24.950 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.143 -3.211 -26.126 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.279 -3.559 -24.340 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.384 -2.819 -23.199 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.605 -4.115 -25.175 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.722 -5.753 -24.522 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.768 -0.066 -24.083 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.620 0.952 -22.998 1.00 0.00 C ATOM 1130 C LEU A 75 -3.825 2.150 -23.500 1.00 0.00 C ATOM 1131 O LEU A 75 -2.926 2.024 -24.308 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.853 0.366 -21.818 1.00 0.00 C ATOM 1133 CG LEU A 75 -4.617 -0.805 -21.225 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -3.670 -1.601 -20.332 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -5.784 -0.272 -20.388 1.00 0.00 C ATOM 0 H LEU A 75 -3.894 -0.476 -24.413 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.622 1.253 -22.694 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.866 0.038 -22.143 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.700 1.132 -21.058 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.004 -1.444 -22.018 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.204 -2.446 -19.898 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.832 -1.967 -20.925 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.297 -0.959 -19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.336 -1.108 -19.960 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.399 0.357 -19.586 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.448 0.315 -21.022 1.00 0.00 H new ATOM 1147 N THR A 76 -4.124 3.307 -22.988 1.00 0.00 N ATOM 1148 CA THR A 76 -3.367 4.518 -23.385 1.00 0.00 C ATOM 1149 C THR A 76 -2.630 5.037 -22.149 1.00 0.00 C ATOM 1150 O THR A 76 -3.242 5.485 -21.200 1.00 0.00 O ATOM 1151 CB THR A 76 -4.342 5.581 -23.896 1.00 0.00 C ATOM 1152 OG1 THR A 76 -4.467 5.468 -25.306 1.00 0.00 O ATOM 1153 CG2 THR A 76 -3.824 6.971 -23.534 1.00 0.00 C ATOM 0 H THR A 76 -4.866 3.465 -22.306 1.00 0.00 H new ATOM 0 HA THR A 76 -2.655 4.286 -24.178 1.00 0.00 H new ATOM 0 HB THR A 76 -5.317 5.432 -23.433 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.093 6.147 -25.634 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.521 7.725 -23.899 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.733 7.055 -22.451 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.848 7.126 -23.993 1.00 0.00 H new ATOM 1161 N ILE A 77 -1.325 4.972 -22.138 1.00 0.00 N ATOM 1162 CA ILE A 77 -0.580 5.457 -20.942 1.00 0.00 C ATOM 1163 C ILE A 77 -0.736 6.973 -20.836 1.00 0.00 C ATOM 1164 O ILE A 77 0.029 7.732 -21.397 1.00 0.00 O ATOM 1165 CB ILE A 77 0.904 5.103 -21.066 1.00 0.00 C ATOM 1166 CG1 ILE A 77 1.064 3.584 -21.220 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.649 5.581 -19.811 1.00 0.00 C ATOM 1168 CD1 ILE A 77 1.122 2.919 -19.843 1.00 0.00 C ATOM 0 H ILE A 77 -0.749 4.608 -22.897 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.983 4.979 -20.049 1.00 0.00 H new ATOM 0 HB ILE A 77 1.322 5.595 -21.944 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.230 3.179 -21.793 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.973 3.361 -21.779 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.706 5.330 -19.898 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.540 6.661 -19.712 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.231 5.092 -18.931 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.236 1.842 -19.964 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.971 3.313 -19.284 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.201 3.128 -19.299 1.00 0.00 H new ATOM 1180 N ILE A 78 -1.716 7.414 -20.105 1.00 0.00 N ATOM 1181 CA ILE A 78 -1.922 8.875 -19.939 1.00 0.00 C ATOM 1182 C ILE A 78 -0.704 9.463 -19.254 1.00 0.00 C ATOM 1183 O ILE A 78 -0.337 10.600 -19.472 1.00 0.00 O ATOM 1184 CB ILE A 78 -3.143 9.123 -19.055 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -4.418 8.794 -19.833 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -3.158 10.586 -18.613 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -4.737 7.311 -19.656 1.00 0.00 C ATOM 0 H ILE A 78 -2.386 6.823 -19.613 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.074 9.336 -20.915 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.094 8.483 -18.174 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.247 9.403 -19.473 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.286 9.028 -20.889 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.028 10.767 -17.982 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.250 10.806 -18.051 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.206 11.231 -19.491 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.645 7.066 -20.207 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.909 6.713 -20.036 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.885 7.094 -18.598 1.00 0.00 H new ATOM 1199 N GLU A 79 -0.095 8.696 -18.400 1.00 0.00 N ATOM 1200 CA GLU A 79 1.089 9.203 -17.663 1.00 0.00 C ATOM 1201 C GLU A 79 0.665 10.403 -16.838 1.00 0.00 C ATOM 1202 O GLU A 79 -0.146 10.302 -15.938 1.00 0.00 O ATOM 1203 CB GLU A 79 2.184 9.627 -18.645 1.00 0.00 C ATOM 1204 CG GLU A 79 2.669 8.408 -19.419 1.00 0.00 C ATOM 1205 CD GLU A 79 3.872 8.794 -20.282 1.00 0.00 C ATOM 1206 OE1 GLU A 79 4.480 7.900 -20.848 1.00 0.00 O ATOM 1207 OE2 GLU A 79 4.165 9.976 -20.360 1.00 0.00 O ATOM 0 H GLU A 79 -0.367 7.738 -18.180 1.00 0.00 H new ATOM 0 HA GLU A 79 1.481 8.416 -17.019 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.799 10.379 -19.334 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.014 10.083 -18.106 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.945 7.612 -18.728 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.867 8.021 -20.047 1.00 0.00 H new ATOM 1215 N GLY A 80 1.203 11.540 -17.142 1.00 0.00 N ATOM 1216 CA GLY A 80 0.833 12.755 -16.377 1.00 0.00 C ATOM 1217 C GLY A 80 1.228 12.561 -14.917 1.00 0.00 C ATOM 1218 O GLY A 80 2.079 13.257 -14.400 1.00 0.00 O ATOM 0 H GLY A 80 1.884 11.684 -17.888 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.337 13.628 -16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.239 12.938 -16.456 1.00 0.00 H new ATOM 1222 N PHE A 81 0.621 11.617 -14.242 1.00 0.00 N ATOM 1223 CA PHE A 81 0.980 11.392 -12.816 1.00 0.00 C ATOM 1224 C PHE A 81 1.529 9.977 -12.627 1.00 0.00 C ATOM 1225 O PHE A 81 0.932 9.003 -13.045 1.00 0.00 O ATOM 1226 CB PHE A 81 -0.254 11.569 -11.928 1.00 0.00 C ATOM 1227 CG PHE A 81 0.200 11.755 -10.500 1.00 0.00 C ATOM 1228 CD1 PHE A 81 0.680 10.659 -9.770 1.00 0.00 C ATOM 1229 CD2 PHE A 81 0.151 13.022 -9.909 1.00 0.00 C ATOM 1230 CE1 PHE A 81 1.111 10.834 -8.448 1.00 0.00 C ATOM 1231 CE2 PHE A 81 0.579 13.197 -8.588 1.00 0.00 C ATOM 1232 CZ PHE A 81 1.061 12.103 -7.857 1.00 0.00 C ATOM 0 H PHE A 81 -0.100 11.000 -14.615 1.00 0.00 H new ATOM 0 HA PHE A 81 1.741 12.120 -12.534 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.835 12.432 -12.255 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.905 10.698 -12.007 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.718 9.681 -10.226 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.218 13.866 -10.473 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.482 9.990 -7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.538 14.175 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.394 12.238 -6.838 1.00 0.00 H new ATOM 1242 N LYS A 82 2.649 9.859 -11.974 1.00 0.00 N ATOM 1243 CA LYS A 82 3.240 8.517 -11.714 1.00 0.00 C ATOM 1244 C LYS A 82 4.447 8.683 -10.811 1.00 0.00 C ATOM 1245 O LYS A 82 5.245 9.582 -10.979 1.00 0.00 O ATOM 1246 CB LYS A 82 3.665 7.832 -13.019 1.00 0.00 C ATOM 1247 CG LYS A 82 5.127 8.156 -13.362 1.00 0.00 C ATOM 1248 CD LYS A 82 6.095 7.294 -12.537 1.00 0.00 C ATOM 1249 CE LYS A 82 7.412 7.142 -13.301 1.00 0.00 C ATOM 1250 NZ LYS A 82 8.070 8.475 -13.423 1.00 0.00 N ATOM 0 H LYS A 82 3.187 10.643 -11.605 1.00 0.00 H new ATOM 0 HA LYS A 82 2.488 7.890 -11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.541 6.753 -12.924 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.016 8.158 -13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.300 7.986 -14.425 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.323 9.211 -13.172 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.275 7.756 -11.567 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.656 6.314 -12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.069 6.446 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.225 6.724 -14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.053 8.349 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.555 9.054 -14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.062 8.952 -12.499 1.00 0.00 H new ATOM 1264 N ARG A 83 4.587 7.814 -9.862 1.00 0.00 N ATOM 1265 CA ARG A 83 5.744 7.884 -8.937 1.00 0.00 C ATOM 1266 C ARG A 83 6.045 6.476 -8.448 1.00 0.00 C ATOM 1267 O ARG A 83 5.303 5.552 -8.714 1.00 0.00 O ATOM 1268 CB ARG A 83 5.413 8.787 -7.746 1.00 0.00 C ATOM 1269 CG ARG A 83 5.382 10.251 -8.199 1.00 0.00 C ATOM 1270 CD ARG A 83 6.749 10.637 -8.771 1.00 0.00 C ATOM 1271 NE ARG A 83 7.115 12.003 -8.301 1.00 0.00 N ATOM 1272 CZ ARG A 83 8.203 12.573 -8.738 1.00 0.00 C ATOM 1273 NH1 ARG A 83 8.973 11.947 -9.587 1.00 0.00 N ATOM 1274 NH2 ARG A 83 8.522 13.770 -8.329 1.00 0.00 N ATOM 0 H ARG A 83 3.940 7.046 -9.683 1.00 0.00 H new ATOM 0 HA ARG A 83 6.610 8.300 -9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.448 8.507 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.157 8.655 -6.960 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.607 10.393 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.132 10.898 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.504 9.917 -8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.720 10.611 -9.860 1.00 0.00 H new ATOM 0 HE ARG A 83 6.514 12.492 -7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.723 11.012 -9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.824 12.393 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.920 14.260 -7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.373 14.216 -8.671 1.00 0.00 H new ATOM 1288 N GLU A 84 7.116 6.289 -7.739 1.00 0.00 N ATOM 1289 CA GLU A 84 7.419 4.925 -7.255 1.00 0.00 C ATOM 1290 C GLU A 84 6.552 4.632 -6.037 1.00 0.00 C ATOM 1291 O GLU A 84 6.908 4.933 -4.915 1.00 0.00 O ATOM 1292 CB GLU A 84 8.895 4.815 -6.883 1.00 0.00 C ATOM 1293 CG GLU A 84 9.744 4.991 -8.143 1.00 0.00 C ATOM 1294 CD GLU A 84 10.090 6.470 -8.339 1.00 0.00 C ATOM 1295 OE1 GLU A 84 10.768 6.775 -9.304 1.00 0.00 O ATOM 1296 OE2 GLU A 84 9.669 7.272 -7.522 1.00 0.00 O ATOM 0 H GLU A 84 7.786 7.012 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 84 7.207 4.202 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.154 5.575 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.096 3.846 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.658 4.403 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.202 4.618 -9.012 1.00 0.00 H new ATOM 1304 N LEU A 85 5.417 4.032 -6.256 1.00 0.00 N ATOM 1305 CA LEU A 85 4.522 3.701 -5.121 1.00 0.00 C ATOM 1306 C LEU A 85 5.269 2.736 -4.212 1.00 0.00 C ATOM 1307 O LEU A 85 5.795 1.739 -4.661 1.00 0.00 O ATOM 1308 CB LEU A 85 3.252 3.024 -5.649 1.00 0.00 C ATOM 1309 CG LEU A 85 2.066 3.383 -4.748 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.155 4.409 -5.429 1.00 0.00 C ATOM 1311 CD2 LEU A 85 1.252 2.127 -4.448 1.00 0.00 C ATOM 0 H LEU A 85 5.072 3.757 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 85 4.240 4.603 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.055 3.345 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.388 1.943 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 85 2.457 3.811 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.320 4.648 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.722 5.316 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.774 3.994 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.409 2.384 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.882 1.702 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.883 1.397 -3.942 1.00 0.00 H new ATOM 1323 N ASN A 86 5.348 3.023 -2.948 1.00 0.00 N ATOM 1324 CA ASN A 86 6.091 2.107 -2.044 1.00 0.00 C ATOM 1325 C ASN A 86 5.243 1.762 -0.827 1.00 0.00 C ATOM 1326 O ASN A 86 4.777 2.621 -0.106 1.00 0.00 O ATOM 1327 CB ASN A 86 7.388 2.783 -1.607 1.00 0.00 C ATOM 1328 CG ASN A 86 8.259 3.007 -2.843 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.866 2.518 -3.990 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 9.303 3.624 -2.767 1.00 0.00 N flip ATOM 0 H ASN A 86 4.936 3.843 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 86 6.321 1.183 -2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 86 7.174 3.733 -1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.913 2.162 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.607 4.004 -1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.876 3.762 -3.600 1.00 0.00 H new ATOM 1480 N THR A 95 9.659 -1.478 -3.984 1.00 0.00 N ATOM 1481 CA THR A 95 9.186 -0.230 -4.646 1.00 0.00 C ATOM 1482 C THR A 95 8.211 -0.587 -5.760 1.00 0.00 C ATOM 1483 O THR A 95 8.344 -1.595 -6.425 1.00 0.00 O ATOM 1484 CB THR A 95 10.371 0.541 -5.235 1.00 0.00 C ATOM 1485 OG1 THR A 95 10.848 1.473 -4.275 1.00 0.00 O ATOM 1486 CG2 THR A 95 9.928 1.281 -6.504 1.00 0.00 C ATOM 0 HA THR A 95 8.689 0.397 -3.906 1.00 0.00 H new ATOM 0 HB THR A 95 11.169 -0.156 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.608 1.967 -4.648 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.774 1.828 -6.920 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.566 0.561 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.129 1.980 -6.257 1.00 0.00 H new ATOM 1494 N VAL A 96 7.224 0.235 -5.958 1.00 0.00 N ATOM 1495 CA VAL A 96 6.220 -0.034 -7.014 1.00 0.00 C ATOM 1496 C VAL A 96 5.982 1.240 -7.824 1.00 0.00 C ATOM 1497 O VAL A 96 5.867 2.312 -7.277 1.00 0.00 O ATOM 1498 CB VAL A 96 4.921 -0.478 -6.341 1.00 0.00 C ATOM 1499 CG1 VAL A 96 3.779 -0.531 -7.359 1.00 0.00 C ATOM 1500 CG2 VAL A 96 5.127 -1.866 -5.729 1.00 0.00 C ATOM 0 H VAL A 96 7.070 1.092 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 96 6.574 -0.816 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 96 4.658 0.239 -5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.863 -0.849 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.632 0.458 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.028 -1.240 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.205 -2.191 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.395 -2.573 -6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.928 -1.823 -4.991 1.00 0.00 H new ATOM 1510 N ILE A 97 5.896 1.135 -9.120 1.00 0.00 N ATOM 1511 CA ILE A 97 5.648 2.349 -9.944 1.00 0.00 C ATOM 1512 C ILE A 97 4.225 2.266 -10.489 1.00 0.00 C ATOM 1513 O ILE A 97 3.757 1.205 -10.847 1.00 0.00 O ATOM 1514 CB ILE A 97 6.666 2.422 -11.079 1.00 0.00 C ATOM 1515 CG1 ILE A 97 8.028 1.970 -10.544 1.00 0.00 C ATOM 1516 CG2 ILE A 97 6.766 3.870 -11.568 1.00 0.00 C ATOM 1517 CD1 ILE A 97 9.147 2.590 -11.376 1.00 0.00 C ATOM 0 H ILE A 97 5.986 0.264 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 97 5.757 3.252 -9.343 1.00 0.00 H new ATOM 0 HB ILE A 97 6.359 1.779 -11.904 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.134 2.265 -9.500 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.098 0.883 -10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.492 3.931 -12.379 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.792 4.201 -11.927 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.086 4.510 -10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.112 2.263 -10.989 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.047 2.273 -12.414 1.00 0.00 H new ATOM 0 HD13 ILE A 97 9.083 3.677 -11.320 1.00 0.00 H new ATOM 1529 N TYR A 98 3.517 3.366 -10.515 1.00 0.00 N ATOM 1530 CA TYR A 98 2.099 3.336 -10.982 1.00 0.00 C ATOM 1531 C TYR A 98 1.878 4.358 -12.104 1.00 0.00 C ATOM 1532 O TYR A 98 2.135 5.533 -11.949 1.00 0.00 O ATOM 1533 CB TYR A 98 1.210 3.693 -9.775 1.00 0.00 C ATOM 1534 CG TYR A 98 0.810 2.465 -8.962 1.00 0.00 C ATOM 1535 CD1 TYR A 98 1.287 1.175 -9.268 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.059 2.635 -7.875 1.00 0.00 C ATOM 1537 CE1 TYR A 98 0.892 0.076 -8.490 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.449 1.538 -7.105 1.00 0.00 C ATOM 1539 CZ TYR A 98 0.023 0.260 -7.411 1.00 0.00 C ATOM 1540 OH TYR A 98 -0.368 -0.821 -6.646 1.00 0.00 O ATOM 0 H TYR A 98 3.860 4.284 -10.233 1.00 0.00 H new ATOM 0 HA TYR A 98 1.853 2.349 -11.374 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.741 4.394 -9.131 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.312 4.201 -10.127 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.958 1.032 -10.102 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.429 3.620 -7.632 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.260 -0.912 -8.725 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.118 1.678 -6.269 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.179 -0.592 -6.147 1.00 0.00 H new ATOM 1550 N TRP A 99 1.386 3.906 -13.233 1.00 0.00 N ATOM 1551 CA TRP A 99 1.125 4.828 -14.382 1.00 0.00 C ATOM 1552 C TRP A 99 -0.379 4.923 -14.641 1.00 0.00 C ATOM 1553 O TRP A 99 -1.128 4.025 -14.316 1.00 0.00 O ATOM 1554 CB TRP A 99 1.784 4.278 -15.644 1.00 0.00 C ATOM 1555 CG TRP A 99 3.231 4.620 -15.664 1.00 0.00 C ATOM 1556 CD1 TRP A 99 3.748 5.787 -16.103 1.00 0.00 C ATOM 1557 CD2 TRP A 99 4.355 3.802 -15.250 1.00 0.00 C ATOM 1558 NE1 TRP A 99 5.123 5.742 -15.976 1.00 0.00 N ATOM 1559 CE2 TRP A 99 5.546 4.534 -15.454 1.00 0.00 C ATOM 1560 CE3 TRP A 99 4.452 2.507 -14.719 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 6.794 3.996 -15.144 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 5.702 1.961 -14.407 1.00 0.00 C ATOM 1563 CH2 TRP A 99 6.874 2.704 -14.618 1.00 0.00 C ATOM 0 H TRP A 99 1.152 2.929 -13.408 1.00 0.00 H new ATOM 0 HA TRP A 99 1.530 5.810 -14.137 1.00 0.00 H new ATOM 0 HB2 TRP A 99 1.659 3.196 -15.685 1.00 0.00 H new ATOM 0 HB3 TRP A 99 1.294 4.689 -16.527 1.00 0.00 H new ATOM 0 HD1 TRP A 99 3.180 6.620 -16.490 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.748 6.505 -16.235 1.00 0.00 H new ATOM 0 HE3 TRP A 99 3.556 1.928 -14.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.692 4.573 -15.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.765 0.962 -14.001 1.00 0.00 H new ATOM 0 HH2 TRP A 99 7.836 2.278 -14.374 1.00 0.00 H new ATOM 1574 N LEU A 100 -0.821 5.987 -15.252 1.00 0.00 N ATOM 1575 CA LEU A 100 -2.273 6.116 -15.559 1.00 0.00 C ATOM 1576 C LEU A 100 -2.556 5.453 -16.907 1.00 0.00 C ATOM 1577 O LEU A 100 -1.790 5.575 -17.842 1.00 0.00 O ATOM 1578 CB LEU A 100 -2.659 7.596 -15.618 1.00 0.00 C ATOM 1579 CG LEU A 100 -2.632 8.191 -14.213 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -2.878 9.698 -14.292 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -3.741 7.546 -13.375 1.00 0.00 C ATOM 0 H LEU A 100 -0.241 6.771 -15.551 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.859 5.629 -14.780 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.968 8.136 -16.265 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.653 7.705 -16.051 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.661 8.003 -13.755 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.859 10.123 -13.288 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.100 10.162 -14.898 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.851 9.884 -14.746 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.728 7.966 -12.369 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.708 7.743 -13.838 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.577 6.470 -13.321 1.00 0.00 H new ATOM 1593 N ALA A 101 -3.644 4.745 -17.009 1.00 0.00 N ATOM 1594 CA ALA A 101 -3.974 4.063 -18.290 1.00 0.00 C ATOM 1595 C ALA A 101 -5.488 4.057 -18.484 1.00 0.00 C ATOM 1596 O ALA A 101 -6.245 4.019 -17.535 1.00 0.00 O ATOM 1597 CB ALA A 101 -3.457 2.622 -18.239 1.00 0.00 C ATOM 0 H ALA A 101 -4.321 4.609 -16.259 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.505 4.590 -19.121 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.696 2.117 -19.175 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.377 2.628 -18.095 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.930 2.095 -17.411 1.00 0.00 H new ATOM 1603 N GLU A 102 -5.935 4.098 -19.707 1.00 0.00 N ATOM 1604 CA GLU A 102 -7.401 4.093 -19.964 1.00 0.00 C ATOM 1605 C GLU A 102 -7.731 3.000 -20.977 1.00 0.00 C ATOM 1606 O GLU A 102 -7.090 2.881 -22.002 1.00 0.00 O ATOM 1607 CB GLU A 102 -7.814 5.453 -20.526 1.00 0.00 C ATOM 1608 CG GLU A 102 -9.333 5.504 -20.686 1.00 0.00 C ATOM 1609 CD GLU A 102 -9.733 6.818 -21.359 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -10.917 7.019 -21.566 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -8.846 7.602 -21.656 1.00 0.00 O ATOM 0 H GLU A 102 -5.348 4.135 -20.540 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.940 3.902 -19.036 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.482 6.249 -19.859 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.331 5.621 -21.489 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.675 4.659 -21.283 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.815 5.421 -19.712 1.00 0.00 H new ATOM 1619 N VAL A 103 -8.729 2.202 -20.713 1.00 0.00 N ATOM 1620 CA VAL A 103 -9.077 1.136 -21.691 1.00 0.00 C ATOM 1621 C VAL A 103 -10.001 1.714 -22.751 1.00 0.00 C ATOM 1622 O VAL A 103 -11.150 2.015 -22.494 1.00 0.00 O ATOM 1623 CB VAL A 103 -9.780 -0.034 -20.990 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -8.803 -0.754 -20.066 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -10.956 0.484 -20.167 1.00 0.00 C ATOM 0 H VAL A 103 -9.310 2.241 -19.876 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.160 0.768 -22.151 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.142 -0.728 -21.749 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.312 -1.583 -19.573 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.966 -1.137 -20.649 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.432 -0.057 -19.314 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.450 -0.352 -19.672 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.594 1.187 -19.417 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.665 0.988 -20.823 1.00 0.00 H new ATOM 1635 N LYS A 104 -9.513 1.853 -23.948 1.00 0.00 N ATOM 1636 CA LYS A 104 -10.370 2.390 -25.030 1.00 0.00 C ATOM 1637 C LYS A 104 -11.440 1.347 -25.334 1.00 0.00 C ATOM 1638 O LYS A 104 -12.382 1.589 -26.061 1.00 0.00 O ATOM 1639 CB LYS A 104 -9.511 2.673 -26.264 1.00 0.00 C ATOM 1640 CG LYS A 104 -8.741 1.411 -26.660 1.00 0.00 C ATOM 1641 CD LYS A 104 -7.604 1.788 -27.618 1.00 0.00 C ATOM 1642 CE LYS A 104 -6.581 2.668 -26.888 1.00 0.00 C ATOM 1643 NZ LYS A 104 -6.643 2.398 -25.424 1.00 0.00 N ATOM 0 H LYS A 104 -8.559 1.618 -24.222 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.845 3.324 -24.731 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.142 2.999 -27.091 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.814 3.485 -26.055 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.337 0.924 -25.772 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.412 0.697 -27.137 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.120 0.887 -27.995 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.004 2.319 -28.481 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.578 2.465 -27.263 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.787 3.720 -27.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.729 2.637 -24.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.393 2.977 -24.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.850 1.391 -25.265 1.00 0.00 H new ATOM 1657 N ASP A 105 -11.306 0.190 -24.742 1.00 0.00 N ATOM 1658 CA ASP A 105 -12.314 -0.884 -24.941 1.00 0.00 C ATOM 1659 C ASP A 105 -13.214 -0.928 -23.707 1.00 0.00 C ATOM 1660 O ASP A 105 -12.865 -1.493 -22.691 1.00 0.00 O ATOM 1661 CB ASP A 105 -11.607 -2.231 -25.097 1.00 0.00 C ATOM 1662 CG ASP A 105 -11.064 -2.371 -26.520 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -10.295 -3.289 -26.752 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -11.427 -1.560 -27.355 1.00 0.00 O ATOM 0 H ASP A 105 -10.533 -0.056 -24.124 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.902 -0.684 -25.837 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.792 -2.309 -24.378 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.301 -3.043 -24.882 1.00 0.00 H new ATOM 1670 N TYR A 106 -14.366 -0.329 -23.786 1.00 0.00 N ATOM 1671 CA TYR A 106 -15.286 -0.328 -22.618 1.00 0.00 C ATOM 1672 C TYR A 106 -15.593 -1.771 -22.216 1.00 0.00 C ATOM 1673 O TYR A 106 -15.867 -2.068 -21.070 1.00 0.00 O ATOM 1674 CB TYR A 106 -16.583 0.388 -22.999 1.00 0.00 C ATOM 1675 CG TYR A 106 -17.459 0.538 -21.780 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -18.352 -0.482 -21.435 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -17.386 1.699 -21.001 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -19.172 -0.342 -20.309 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -18.204 1.838 -19.876 1.00 0.00 C ATOM 1680 CZ TYR A 106 -19.098 0.817 -19.530 1.00 0.00 C ATOM 1681 OH TYR A 106 -19.908 0.955 -18.422 1.00 0.00 O ATOM 0 H TYR A 106 -14.711 0.161 -24.611 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.819 0.189 -21.780 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.358 1.368 -23.420 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -17.109 -0.177 -23.769 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.409 -1.377 -22.037 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.698 2.487 -21.269 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.862 -1.129 -20.042 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -18.147 2.733 -19.274 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.730 1.818 -17.992 1.00 0.00 H new ATOM 1691 N ASP A 107 -15.560 -2.664 -23.162 1.00 0.00 N ATOM 1692 CA ASP A 107 -15.859 -4.091 -22.862 1.00 0.00 C ATOM 1693 C ASP A 107 -14.557 -4.893 -22.772 1.00 0.00 C ATOM 1694 O ASP A 107 -14.555 -6.100 -22.917 1.00 0.00 O ATOM 1695 CB ASP A 107 -16.741 -4.668 -23.972 1.00 0.00 C ATOM 1696 CG ASP A 107 -15.967 -4.683 -25.293 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -16.595 -4.877 -26.322 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -14.763 -4.498 -25.256 1.00 0.00 O ATOM 0 H ASP A 107 -15.337 -2.466 -24.138 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.381 -4.155 -21.907 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -17.054 -5.679 -23.712 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.647 -4.071 -24.077 1.00 0.00 H new ATOM 1704 N VAL A 108 -13.447 -4.243 -22.546 1.00 0.00 N ATOM 1705 CA VAL A 108 -12.163 -4.995 -22.467 1.00 0.00 C ATOM 1706 C VAL A 108 -12.349 -6.240 -21.611 1.00 0.00 C ATOM 1707 O VAL A 108 -13.083 -6.245 -20.643 1.00 0.00 O ATOM 1708 CB VAL A 108 -11.067 -4.119 -21.860 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -11.450 -3.699 -20.441 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -9.756 -4.906 -21.819 1.00 0.00 C ATOM 0 H VAL A 108 -13.374 -3.234 -22.414 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.866 -5.284 -23.475 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.946 -3.226 -22.473 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.661 -3.076 -20.021 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -12.382 -3.135 -20.468 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -11.580 -4.586 -19.822 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.972 -4.284 -21.387 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.887 -5.800 -21.210 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.473 -5.195 -22.831 1.00 0.00 H new ATOM 1720 N GLU A 109 -11.679 -7.297 -21.966 1.00 0.00 N ATOM 1721 CA GLU A 109 -11.800 -8.554 -21.186 1.00 0.00 C ATOM 1722 C GLU A 109 -10.644 -8.634 -20.199 1.00 0.00 C ATOM 1723 O GLU A 109 -9.508 -8.856 -20.567 1.00 0.00 O ATOM 1724 CB GLU A 109 -11.745 -9.755 -22.130 1.00 0.00 C ATOM 1725 CG GLU A 109 -12.013 -11.038 -21.342 1.00 0.00 C ATOM 1726 CD GLU A 109 -13.479 -11.075 -20.904 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -14.291 -10.442 -21.562 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -13.766 -11.735 -19.920 1.00 0.00 O ATOM 0 H GLU A 109 -11.050 -7.344 -22.767 1.00 0.00 H new ATOM 0 HA GLU A 109 -12.749 -8.563 -20.651 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.484 -9.642 -22.923 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.768 -9.808 -22.611 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.785 -11.909 -21.957 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.361 -11.084 -20.470 1.00 0.00 H new ATOM 1736 N ILE A 110 -10.929 -8.460 -18.948 1.00 0.00 N ATOM 1737 CA ILE A 110 -9.853 -8.529 -17.925 1.00 0.00 C ATOM 1738 C ILE A 110 -9.460 -9.990 -17.724 1.00 0.00 C ATOM 1739 O ILE A 110 -10.019 -10.684 -16.898 1.00 0.00 O ATOM 1740 CB ILE A 110 -10.369 -7.962 -16.600 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -11.016 -6.599 -16.844 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -9.201 -7.809 -15.627 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -10.064 -5.715 -17.620 1.00 0.00 C ATOM 0 H ILE A 110 -11.863 -8.272 -18.584 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.991 -7.949 -18.256 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.109 -8.640 -16.176 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -11.947 -6.721 -17.397 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.270 -6.130 -15.893 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.565 -7.405 -14.682 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -8.742 -8.782 -15.453 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.461 -7.130 -16.051 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.528 -4.744 -17.793 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.145 -5.582 -17.050 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.833 -6.182 -18.577 1.00 0.00 H new ATOM 1755 N ARG A 111 -8.502 -10.469 -18.466 1.00 0.00 N ATOM 1756 CA ARG A 111 -8.095 -11.890 -18.292 1.00 0.00 C ATOM 1757 C ARG A 111 -7.079 -11.981 -17.168 1.00 0.00 C ATOM 1758 O ARG A 111 -6.035 -11.365 -17.197 1.00 0.00 O ATOM 1759 CB ARG A 111 -7.490 -12.439 -19.582 1.00 0.00 C ATOM 1760 CG ARG A 111 -8.609 -13.020 -20.442 1.00 0.00 C ATOM 1761 CD ARG A 111 -8.122 -13.167 -21.885 1.00 0.00 C ATOM 1762 NE ARG A 111 -7.101 -14.251 -21.954 1.00 0.00 N ATOM 1763 CZ ARG A 111 -6.035 -14.106 -22.696 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -5.859 -13.014 -23.387 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -5.146 -15.059 -22.750 1.00 0.00 N ATOM 0 H ARG A 111 -7.989 -9.946 -19.176 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.975 -12.485 -18.046 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.971 -11.647 -20.122 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.751 -13.207 -19.355 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -8.916 -13.990 -20.050 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.483 -12.370 -20.407 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.960 -13.399 -22.542 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.695 -12.227 -22.234 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.235 -15.110 -21.420 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.555 -12.269 -23.350 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.026 -12.905 -23.965 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.283 -15.916 -22.214 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.313 -14.948 -23.329 1.00 0.00 H new ATOM 1779 N LEU A 112 -7.388 -12.744 -16.168 1.00 0.00 N ATOM 1780 CA LEU A 112 -6.450 -12.870 -15.027 1.00 0.00 C ATOM 1781 C LEU A 112 -5.627 -14.148 -15.192 1.00 0.00 C ATOM 1782 O LEU A 112 -6.124 -15.244 -15.022 1.00 0.00 O ATOM 1783 CB LEU A 112 -7.251 -12.942 -13.726 1.00 0.00 C ATOM 1784 CG LEU A 112 -8.490 -12.044 -13.826 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -9.264 -12.093 -12.507 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -8.068 -10.600 -14.109 1.00 0.00 C ATOM 0 H LEU A 112 -8.248 -13.286 -16.089 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.783 -12.009 -14.998 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.552 -13.971 -13.530 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.629 -12.627 -12.888 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.123 -12.401 -14.639 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.145 -11.455 -12.578 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.574 -13.118 -12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.625 -11.741 -11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.954 -9.969 -14.179 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.430 -10.242 -13.301 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.519 -10.559 -15.050 1.00 0.00 H new ATOM 1798 N SER A 113 -4.372 -14.016 -15.516 1.00 0.00 N ATOM 1799 CA SER A 113 -3.518 -15.223 -15.686 1.00 0.00 C ATOM 1800 C SER A 113 -3.261 -15.853 -14.315 1.00 0.00 C ATOM 1801 O SER A 113 -3.520 -15.252 -13.291 1.00 0.00 O ATOM 1802 CB SER A 113 -2.189 -14.818 -16.325 1.00 0.00 C ATOM 1803 OG SER A 113 -2.438 -14.241 -17.601 1.00 0.00 O ATOM 0 H SER A 113 -3.901 -13.125 -15.670 1.00 0.00 H new ATOM 0 HA SER A 113 -4.021 -15.945 -16.329 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.667 -14.105 -15.686 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.541 -15.688 -16.427 1.00 0.00 H new ATOM 0 HG SER A 113 -1.613 -13.838 -17.944 1.00 0.00 H new ATOM 1809 N HIS A 114 -2.761 -17.058 -14.285 1.00 0.00 N ATOM 1810 CA HIS A 114 -2.497 -17.724 -12.977 1.00 0.00 C ATOM 1811 C HIS A 114 -1.929 -16.704 -11.986 1.00 0.00 C ATOM 1812 O HIS A 114 -0.736 -16.476 -11.924 1.00 0.00 O ATOM 1813 CB HIS A 114 -1.489 -18.864 -13.171 1.00 0.00 C ATOM 1814 CG HIS A 114 -0.436 -18.782 -12.099 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -0.521 -18.747 -10.728 1.00 0.00 N flip ATOM 1816 CD2 HIS A 114 0.917 -18.695 -12.397 1.00 0.00 C flip ATOM 1817 CE1 HIS A 114 0.754 -18.638 -10.187 1.00 0.00 C flip ATOM 1818 NE2 HIS A 114 1.584 -18.608 -11.231 1.00 0.00 N flip ATOM 0 H HIS A 114 -2.524 -17.610 -15.109 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.430 -18.129 -12.586 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.998 -19.827 -13.125 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -1.028 -18.794 -14.156 1.00 0.00 H new ATOM 0 HD2 HIS A 114 1.355 -18.697 -13.384 1.00 0.00 H new ATOM 0 HE1 HIS A 114 1.018 -18.588 -9.141 1.00 0.00 H new ATOM 0 HE2 HIS A 114 2.598 -18.529 -11.155 1.00 0.00 H new ATOM 1827 N GLU A 115 -2.775 -16.085 -11.207 1.00 0.00 N ATOM 1828 CA GLU A 115 -2.287 -15.082 -10.216 1.00 0.00 C ATOM 1829 C GLU A 115 -3.487 -14.401 -9.564 1.00 0.00 C ATOM 1830 O GLU A 115 -3.707 -14.508 -8.373 1.00 0.00 O ATOM 1831 CB GLU A 115 -1.431 -14.027 -10.921 1.00 0.00 C ATOM 1832 CG GLU A 115 -0.150 -13.803 -10.118 1.00 0.00 C ATOM 1833 CD GLU A 115 0.707 -12.743 -10.810 1.00 0.00 C ATOM 1834 OE1 GLU A 115 0.385 -12.391 -11.933 1.00 0.00 O ATOM 1835 OE2 GLU A 115 1.670 -12.300 -10.205 1.00 0.00 O ATOM 0 H GLU A 115 -3.785 -16.231 -11.214 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.685 -15.585 -9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.188 -14.354 -11.932 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.985 -13.093 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.394 -13.484 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.406 -14.737 -10.033 1.00 0.00 H new ATOM 1843 N HIS A 116 -4.265 -13.705 -10.341 1.00 0.00 N ATOM 1844 CA HIS A 116 -5.458 -13.012 -9.786 1.00 0.00 C ATOM 1845 C HIS A 116 -6.723 -13.714 -10.286 1.00 0.00 C ATOM 1846 O HIS A 116 -6.790 -14.160 -11.412 1.00 0.00 O ATOM 1847 CB HIS A 116 -5.473 -11.558 -10.265 1.00 0.00 C ATOM 1848 CG HIS A 116 -4.303 -10.817 -9.679 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -3.027 -10.904 -10.220 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -4.198 -9.967 -8.606 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -2.218 -10.127 -9.476 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -2.883 -9.535 -8.482 1.00 0.00 N ATOM 0 H HIS A 116 -4.125 -13.585 -11.344 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.421 -13.039 -8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.429 -11.524 -11.354 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.405 -11.077 -9.968 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.012 -9.678 -7.958 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.162 -9.999 -9.661 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -2.506 -8.899 -7.779 1.00 0.00 H new ATOM 1861 N GLN A 117 -7.726 -13.820 -9.458 1.00 0.00 N ATOM 1862 CA GLN A 117 -8.985 -14.489 -9.895 1.00 0.00 C ATOM 1863 C GLN A 117 -10.166 -13.548 -9.660 1.00 0.00 C ATOM 1864 O GLN A 117 -11.312 -13.948 -9.714 1.00 0.00 O ATOM 1865 CB GLN A 117 -9.184 -15.779 -9.098 1.00 0.00 C ATOM 1866 CG GLN A 117 -7.915 -16.632 -9.187 1.00 0.00 C ATOM 1867 CD GLN A 117 -7.559 -16.860 -10.657 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -6.348 -16.601 -11.072 1.00 0.00 O flip ATOM 1869 NE2 GLN A 117 -8.390 -17.280 -11.438 1.00 0.00 N flip ATOM 0 H GLN A 117 -7.729 -13.473 -8.499 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.921 -14.731 -10.956 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -9.406 -15.546 -8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.037 -16.334 -9.490 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -7.092 -16.134 -8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.070 -17.588 -8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.336 -17.483 -11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.141 -17.430 -12.416 1.00 0.00 H new ATOM 1878 N ALA A 118 -9.894 -12.299 -9.398 1.00 0.00 N ATOM 1879 CA ALA A 118 -11.001 -11.332 -9.157 1.00 0.00 C ATOM 1880 C ALA A 118 -10.624 -9.962 -9.718 1.00 0.00 C ATOM 1881 O ALA A 118 -9.521 -9.489 -9.533 1.00 0.00 O ATOM 1882 CB ALA A 118 -11.234 -11.196 -7.651 1.00 0.00 C ATOM 0 H ALA A 118 -8.954 -11.907 -9.341 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.904 -11.695 -9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.044 -10.489 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.501 -12.167 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.323 -10.835 -7.173 1.00 0.00 H new ATOM 1888 N TYR A 119 -11.540 -9.312 -10.379 1.00 0.00 N ATOM 1889 CA TYR A 119 -11.248 -7.960 -10.929 1.00 0.00 C ATOM 1890 C TYR A 119 -12.558 -7.173 -11.007 1.00 0.00 C ATOM 1891 O TYR A 119 -13.601 -7.726 -11.294 1.00 0.00 O ATOM 1892 CB TYR A 119 -10.621 -8.092 -12.315 1.00 0.00 C ATOM 1893 CG TYR A 119 -11.670 -8.444 -13.333 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -12.118 -9.762 -13.448 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -12.177 -7.452 -14.176 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -13.083 -10.087 -14.409 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -13.141 -7.773 -15.135 1.00 0.00 C ATOM 1898 CZ TYR A 119 -13.594 -9.092 -15.254 1.00 0.00 C ATOM 1899 OH TYR A 119 -14.545 -9.413 -16.201 1.00 0.00 O ATOM 0 H TYR A 119 -12.481 -9.660 -10.562 1.00 0.00 H new ATOM 0 HA TYR A 119 -10.545 -7.434 -10.283 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -10.136 -7.156 -12.592 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -9.848 -8.860 -12.300 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -11.721 -10.528 -12.798 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -11.823 -6.436 -14.086 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -13.434 -11.104 -14.499 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -13.536 -7.005 -15.783 1.00 0.00 H new ATOM 0 HH TYR A 119 -14.793 -8.608 -16.702 1.00 0.00 H new ATOM 1909 N ARG A 120 -12.530 -5.891 -10.737 1.00 0.00 N ATOM 1910 CA ARG A 120 -13.799 -5.108 -10.784 1.00 0.00 C ATOM 1911 C ARG A 120 -13.540 -3.685 -11.278 1.00 0.00 C ATOM 1912 O ARG A 120 -12.499 -3.109 -11.036 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.388 -4.996 -9.373 1.00 0.00 C ATOM 1914 CG ARG A 120 -14.358 -6.347 -8.665 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.743 -6.146 -7.193 1.00 0.00 C ATOM 1916 NE ARG A 120 -16.214 -5.930 -7.083 1.00 0.00 N ATOM 1917 CZ ARG A 120 -16.757 -5.735 -5.912 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.011 -5.726 -4.840 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -18.044 -5.547 -5.813 1.00 0.00 N ATOM 0 H ARG A 120 -11.695 -5.361 -10.490 1.00 0.00 H new ATOM 0 HA ARG A 120 -14.482 -5.623 -11.459 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.823 -4.265 -8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.414 -4.633 -9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -15.050 -7.039 -9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -13.364 -6.789 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.449 -7.017 -6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -14.208 -5.290 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 120 -16.795 -5.935 -7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.004 -5.871 -4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.435 -5.574 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -18.626 -5.552 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -18.468 -5.395 -4.898 1.00 0.00 H new ATOM 1933 N TRP A 121 -14.512 -3.093 -11.914 1.00 0.00 N ATOM 1934 CA TRP A 121 -14.370 -1.683 -12.367 1.00 0.00 C ATOM 1935 C TRP A 121 -15.171 -0.820 -11.387 1.00 0.00 C ATOM 1936 O TRP A 121 -16.385 -0.817 -11.410 1.00 0.00 O ATOM 1937 CB TRP A 121 -14.947 -1.533 -13.778 1.00 0.00 C ATOM 1938 CG TRP A 121 -13.997 -2.097 -14.788 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -14.095 -3.322 -15.357 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -12.818 -1.473 -15.371 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -13.052 -3.484 -16.252 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -12.239 -2.371 -16.297 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -12.202 -0.224 -15.187 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -11.089 -2.040 -17.015 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -11.044 0.107 -15.909 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -10.491 -0.797 -16.821 1.00 0.00 C ATOM 0 H TRP A 121 -15.405 -3.530 -12.141 1.00 0.00 H new ATOM 0 HA TRP A 121 -13.323 -1.382 -12.391 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -15.906 -2.047 -13.843 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -15.134 -0.481 -13.992 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -14.862 -4.053 -15.147 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -12.903 -4.324 -16.810 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -12.621 0.484 -14.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -10.665 -2.743 -17.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -10.576 1.069 -15.758 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -9.602 -0.532 -17.374 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.513 -0.122 -10.495 1.00 0.00 N ATOM 1958 CA LEU A 122 -15.266 0.688 -9.489 1.00 0.00 C ATOM 1959 C LEU A 122 -14.807 2.147 -9.494 1.00 0.00 C ATOM 1960 O LEU A 122 -13.822 2.503 -10.110 1.00 0.00 O ATOM 1961 CB LEU A 122 -15.039 0.123 -8.086 1.00 0.00 C ATOM 1962 CG LEU A 122 -14.585 -1.338 -8.148 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -13.237 -1.470 -7.450 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -15.603 -2.230 -7.437 1.00 0.00 C ATOM 0 H LEU A 122 -13.497 -0.078 -10.420 1.00 0.00 H new ATOM 0 HA LEU A 122 -16.322 0.641 -9.756 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.288 0.719 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -15.960 0.197 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.501 -1.645 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.907 -2.508 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.505 -0.837 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.334 -1.160 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -15.274 -3.268 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.689 -1.924 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -16.573 -2.134 -7.924 1.00 0.00 H new ATOM 1976 N GLY A 123 -15.524 2.990 -8.792 1.00 0.00 N ATOM 1977 CA GLY A 123 -15.158 4.435 -8.727 1.00 0.00 C ATOM 1978 C GLY A 123 -14.007 4.643 -7.737 1.00 0.00 C ATOM 1979 O GLY A 123 -13.504 3.710 -7.144 1.00 0.00 O ATOM 0 H GLY A 123 -16.354 2.734 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.866 4.789 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -16.023 5.024 -8.420 1.00 0.00 H new ATOM 1983 N LEU A 124 -13.586 5.867 -7.566 1.00 0.00 N ATOM 1984 CA LEU A 124 -12.464 6.163 -6.627 1.00 0.00 C ATOM 1985 C LEU A 124 -12.800 5.701 -5.210 1.00 0.00 C ATOM 1986 O LEU A 124 -11.995 5.087 -4.538 1.00 0.00 O ATOM 1987 CB LEU A 124 -12.222 7.675 -6.620 1.00 0.00 C ATOM 1988 CG LEU A 124 -11.313 8.070 -5.451 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -10.038 7.225 -5.454 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -10.935 9.545 -5.597 1.00 0.00 C ATOM 0 H LEU A 124 -13.974 6.682 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 124 -11.573 5.630 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.766 7.980 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -13.174 8.201 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.844 7.902 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.405 7.519 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -10.300 6.171 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.500 7.382 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.288 9.838 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.409 9.694 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -11.838 10.155 -5.585 1.00 0.00 H new ATOM 2002 N GLU A 125 -13.972 6.006 -4.739 1.00 0.00 N ATOM 2003 CA GLU A 125 -14.337 5.599 -3.354 1.00 0.00 C ATOM 2004 C GLU A 125 -14.293 4.075 -3.225 1.00 0.00 C ATOM 2005 O GLU A 125 -13.632 3.543 -2.357 1.00 0.00 O ATOM 2006 CB GLU A 125 -15.738 6.118 -3.025 1.00 0.00 C ATOM 2007 CG GLU A 125 -16.793 5.264 -3.732 1.00 0.00 C ATOM 2008 CD GLU A 125 -18.165 5.927 -3.587 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -18.260 6.891 -2.845 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -19.097 5.459 -4.220 1.00 0.00 O ATOM 0 H GLU A 125 -14.692 6.517 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 125 -13.622 6.026 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.900 6.092 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.832 7.158 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.540 5.153 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.814 4.262 -3.302 1.00 0.00 H new ATOM 2018 N GLU A 126 -14.977 3.362 -4.080 1.00 0.00 N ATOM 2019 CA GLU A 126 -14.952 1.874 -3.985 1.00 0.00 C ATOM 2020 C GLU A 126 -13.529 1.376 -4.223 1.00 0.00 C ATOM 2021 O GLU A 126 -13.094 0.400 -3.648 1.00 0.00 O ATOM 2022 CB GLU A 126 -15.885 1.269 -5.028 1.00 0.00 C ATOM 2023 CG GLU A 126 -15.940 -0.242 -4.835 1.00 0.00 C ATOM 2024 CD GLU A 126 -17.156 -0.808 -5.573 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -17.414 -1.992 -5.428 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -17.810 -0.048 -6.268 1.00 0.00 O ATOM 0 H GLU A 126 -15.548 3.742 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 126 -15.286 1.572 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -16.883 1.696 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.531 1.507 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -15.026 -0.701 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -16.002 -0.482 -3.773 1.00 0.00 H new ATOM 2034 N ALA A 127 -12.794 2.043 -5.061 1.00 0.00 N ATOM 2035 CA ALA A 127 -11.397 1.613 -5.317 1.00 0.00 C ATOM 2036 C ALA A 127 -10.560 1.913 -4.074 1.00 0.00 C ATOM 2037 O ALA A 127 -9.568 1.265 -3.801 1.00 0.00 O ATOM 2038 CB ALA A 127 -10.841 2.393 -6.505 1.00 0.00 C ATOM 0 H ALA A 127 -13.099 2.867 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 127 -11.366 0.546 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.815 2.081 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.451 2.197 -7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.860 3.460 -6.281 1.00 0.00 H new ATOM 2044 N CYS A 128 -10.958 2.908 -3.325 1.00 0.00 N ATOM 2045 CA CYS A 128 -10.205 3.287 -2.101 1.00 0.00 C ATOM 2046 C CYS A 128 -10.381 2.221 -1.016 1.00 0.00 C ATOM 2047 O CYS A 128 -9.437 1.842 -0.350 1.00 0.00 O ATOM 2048 CB CYS A 128 -10.736 4.625 -1.582 1.00 0.00 C ATOM 2049 SG CYS A 128 -10.924 4.548 0.216 1.00 0.00 S ATOM 0 H CYS A 128 -11.782 3.478 -3.514 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.146 3.371 -2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.051 5.429 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -11.694 4.853 -2.048 1.00 0.00 H new ATOM 0 HG CYS A 128 -12.073 4.016 0.510 1.00 0.00 H new ATOM 2055 N GLN A 129 -11.578 1.736 -0.823 1.00 0.00 N ATOM 2056 CA GLN A 129 -11.789 0.702 0.235 1.00 0.00 C ATOM 2057 C GLN A 129 -11.033 -0.570 -0.134 1.00 0.00 C ATOM 2058 O GLN A 129 -10.398 -1.191 0.695 1.00 0.00 O ATOM 2059 CB GLN A 129 -13.280 0.360 0.382 1.00 0.00 C ATOM 2060 CG GLN A 129 -14.059 0.801 -0.855 1.00 0.00 C ATOM 2061 CD GLN A 129 -14.701 2.164 -0.593 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -13.980 3.123 -0.082 1.00 0.00 O flip ATOM 2063 NE2 GLN A 129 -15.872 2.358 -0.855 1.00 0.00 N flip ATOM 0 H GLN A 129 -12.412 2.006 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 129 -11.421 1.105 1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -13.399 -0.713 0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.685 0.850 1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.393 0.860 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -14.827 0.066 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.436 1.608 -1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.290 3.271 -0.675 1.00 0.00 H new ATOM 2072 N LEU A 130 -11.112 -0.978 -1.366 1.00 0.00 N ATOM 2073 CA LEU A 130 -10.417 -2.224 -1.777 1.00 0.00 C ATOM 2074 C LEU A 130 -8.895 -2.044 -1.682 1.00 0.00 C ATOM 2075 O LEU A 130 -8.194 -2.908 -1.195 1.00 0.00 O ATOM 2076 CB LEU A 130 -10.804 -2.554 -3.220 1.00 0.00 C ATOM 2077 CG LEU A 130 -12.328 -2.631 -3.348 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -12.695 -2.889 -4.804 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -12.872 -3.774 -2.497 1.00 0.00 C ATOM 0 H LEU A 130 -11.628 -0.502 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 130 -10.713 -3.037 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.412 -1.792 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -10.357 -3.503 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 130 -12.759 -1.690 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -13.779 -2.945 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -12.316 -2.077 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -12.252 -3.830 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.957 -3.818 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -12.438 -4.716 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.610 -3.606 -1.452 1.00 0.00 H new ATOM 2091 N ALA A 131 -8.373 -0.937 -2.142 1.00 0.00 N ATOM 2092 CA ALA A 131 -6.895 -0.738 -2.077 1.00 0.00 C ATOM 2093 C ALA A 131 -6.416 -0.876 -0.628 1.00 0.00 C ATOM 2094 O ALA A 131 -5.535 -1.656 -0.332 1.00 0.00 O ATOM 2095 CB ALA A 131 -6.542 0.652 -2.604 1.00 0.00 C ATOM 0 H ALA A 131 -8.901 -0.169 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.404 -1.493 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.463 0.796 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -6.875 0.744 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.036 1.409 -1.995 1.00 0.00 H new ATOM 2101 N GLN A 132 -6.996 -0.139 0.276 1.00 0.00 N ATOM 2102 CA GLN A 132 -6.581 -0.246 1.708 1.00 0.00 C ATOM 2103 C GLN A 132 -5.166 0.312 1.906 1.00 0.00 C ATOM 2104 O GLN A 132 -4.694 0.427 3.020 1.00 0.00 O ATOM 2105 CB GLN A 132 -6.621 -1.722 2.132 1.00 0.00 C ATOM 2106 CG GLN A 132 -5.208 -2.227 2.449 1.00 0.00 C ATOM 2107 CD GLN A 132 -5.243 -3.745 2.635 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -6.377 -4.377 2.517 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -4.225 -4.363 2.881 1.00 0.00 N flip ATOM 0 H GLN A 132 -7.740 0.534 0.089 1.00 0.00 H new ATOM 0 HA GLN A 132 -7.268 0.337 2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -7.260 -1.838 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -7.059 -2.324 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -4.526 -1.964 1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -4.832 -1.747 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.338 -3.868 2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -4.258 -5.376 2.995 1.00 0.00 H new ATOM 2118 N PHE A 133 -4.481 0.663 0.851 1.00 0.00 N ATOM 2119 CA PHE A 133 -3.100 1.207 1.022 1.00 0.00 C ATOM 2120 C PHE A 133 -3.135 2.729 0.898 1.00 0.00 C ATOM 2121 O PHE A 133 -3.751 3.274 0.005 1.00 0.00 O ATOM 2122 CB PHE A 133 -2.179 0.641 -0.056 1.00 0.00 C ATOM 2123 CG PHE A 133 -2.490 -0.818 -0.286 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -1.999 -1.789 0.596 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -3.263 -1.201 -1.391 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -2.285 -3.142 0.375 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -3.543 -2.552 -1.610 1.00 0.00 C ATOM 2128 CZ PHE A 133 -3.057 -3.523 -0.729 1.00 0.00 C ATOM 0 H PHE A 133 -4.812 0.598 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 133 -2.725 0.922 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -2.305 1.199 -0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -1.138 0.756 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.401 -1.495 1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -3.641 -0.453 -2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.910 -3.891 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -4.137 -2.847 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.277 -4.566 -0.900 1.00 0.00 H new ATOM 2138 N LYS A 134 -2.479 3.423 1.785 1.00 0.00 N ATOM 2139 CA LYS A 134 -2.485 4.911 1.713 1.00 0.00 C ATOM 2140 C LYS A 134 -1.950 5.371 0.355 1.00 0.00 C ATOM 2141 O LYS A 134 -2.477 6.284 -0.249 1.00 0.00 O ATOM 2142 CB LYS A 134 -1.610 5.479 2.832 1.00 0.00 C ATOM 2143 CG LYS A 134 -0.141 5.151 2.552 1.00 0.00 C ATOM 2144 CD LYS A 134 0.714 5.577 3.749 1.00 0.00 C ATOM 2145 CE LYS A 134 2.193 5.529 3.362 1.00 0.00 C ATOM 2146 NZ LYS A 134 3.034 5.785 4.566 1.00 0.00 N ATOM 0 H LYS A 134 -1.940 3.026 2.555 1.00 0.00 H new ATOM 0 HA LYS A 134 -3.507 5.272 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.745 6.558 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -1.911 5.058 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -0.024 4.083 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 134 0.193 5.666 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 134 0.442 6.585 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 134 0.527 4.917 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 134 2.436 4.556 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 134 2.403 6.274 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.039 5.752 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 2.809 6.723 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 2.842 5.058 5.285 1.00 0.00 H new ATOM 2160 N GLU A 135 -0.908 4.754 -0.135 1.00 0.00 N ATOM 2161 CA GLU A 135 -0.358 5.177 -1.455 1.00 0.00 C ATOM 2162 C GLU A 135 -1.374 4.875 -2.555 1.00 0.00 C ATOM 2163 O GLU A 135 -1.619 5.687 -3.423 1.00 0.00 O ATOM 2164 CB GLU A 135 0.931 4.415 -1.738 1.00 0.00 C ATOM 2165 CG GLU A 135 1.968 4.735 -0.659 1.00 0.00 C ATOM 2166 CD GLU A 135 2.316 6.225 -0.708 1.00 0.00 C ATOM 2167 OE1 GLU A 135 2.870 6.716 0.259 1.00 0.00 O ATOM 2168 OE2 GLU A 135 2.023 6.848 -1.717 1.00 0.00 O ATOM 0 H GLU A 135 -0.418 3.982 0.317 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.153 6.247 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.734 3.343 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.318 4.688 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.577 4.475 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.866 4.136 -0.814 1.00 0.00 H new ATOM 2176 N MET A 136 -1.970 3.713 -2.530 1.00 0.00 N ATOM 2177 CA MET A 136 -2.969 3.372 -3.582 1.00 0.00 C ATOM 2178 C MET A 136 -4.153 4.326 -3.501 1.00 0.00 C ATOM 2179 O MET A 136 -4.612 4.844 -4.499 1.00 0.00 O ATOM 2180 CB MET A 136 -3.477 1.951 -3.374 1.00 0.00 C ATOM 2181 CG MET A 136 -2.403 0.947 -3.785 1.00 0.00 C ATOM 2182 SD MET A 136 -3.109 -0.244 -4.946 1.00 0.00 S ATOM 2183 CE MET A 136 -3.567 0.947 -6.231 1.00 0.00 C ATOM 0 H MET A 136 -1.809 2.989 -1.830 1.00 0.00 H new ATOM 0 HA MET A 136 -2.489 3.456 -4.557 1.00 0.00 H new ATOM 0 HB2 MET A 136 -3.745 1.801 -2.328 1.00 0.00 H new ATOM 0 HB3 MET A 136 -4.381 1.790 -3.961 1.00 0.00 H new ATOM 0 HG2 MET A 136 -1.562 1.465 -4.245 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.017 0.430 -2.906 1.00 0.00 H new ATOM 0 HE1 MET A 136 -4.624 0.833 -6.473 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.385 1.959 -5.871 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.969 0.767 -7.124 1.00 0.00 H new ATOM 2193 N LYS A 137 -4.655 4.567 -2.322 1.00 0.00 N ATOM 2194 CA LYS A 137 -5.806 5.492 -2.201 1.00 0.00 C ATOM 2195 C LYS A 137 -5.382 6.842 -2.766 1.00 0.00 C ATOM 2196 O LYS A 137 -6.097 7.468 -3.519 1.00 0.00 O ATOM 2197 CB LYS A 137 -6.180 5.653 -0.728 1.00 0.00 C ATOM 2198 CG LYS A 137 -6.633 4.306 -0.172 1.00 0.00 C ATOM 2199 CD LYS A 137 -7.002 4.463 1.301 1.00 0.00 C ATOM 2200 CE LYS A 137 -7.037 3.085 1.958 1.00 0.00 C ATOM 2201 NZ LYS A 137 -8.023 3.088 3.076 1.00 0.00 N ATOM 0 H LYS A 137 -4.319 4.166 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.667 5.102 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.325 6.024 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.976 6.390 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -7.490 3.937 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -5.838 3.569 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -6.276 5.101 1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -7.973 4.949 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -7.308 2.327 1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -6.047 2.825 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -8.045 2.149 3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -7.746 3.800 3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -8.967 3.318 2.705 1.00 0.00 H new ATOM 2215 N ALA A 138 -4.203 7.278 -2.416 1.00 0.00 N ATOM 2216 CA ALA A 138 -3.704 8.577 -2.941 1.00 0.00 C ATOM 2217 C ALA A 138 -3.342 8.419 -4.418 1.00 0.00 C ATOM 2218 O ALA A 138 -3.719 9.225 -5.242 1.00 0.00 O ATOM 2219 CB ALA A 138 -2.472 9.019 -2.157 1.00 0.00 C ATOM 0 H ALA A 138 -3.564 6.789 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 138 -4.483 9.332 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -2.114 9.971 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.732 9.134 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.688 8.268 -2.257 1.00 0.00 H new ATOM 2225 N ALA A 139 -2.623 7.382 -4.770 1.00 0.00 N ATOM 2226 CA ALA A 139 -2.271 7.205 -6.205 1.00 0.00 C ATOM 2227 C ALA A 139 -3.568 7.183 -7.009 1.00 0.00 C ATOM 2228 O ALA A 139 -3.676 7.792 -8.055 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.519 5.886 -6.404 1.00 0.00 C ATOM 0 H ALA A 139 -2.272 6.664 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.629 8.021 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.266 5.767 -7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.605 5.895 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -2.150 5.056 -6.086 1.00 0.00 H new ATOM 2235 N LEU A 140 -4.567 6.508 -6.508 1.00 0.00 N ATOM 2236 CA LEU A 140 -5.870 6.475 -7.223 1.00 0.00 C ATOM 2237 C LEU A 140 -6.475 7.879 -7.192 1.00 0.00 C ATOM 2238 O LEU A 140 -7.016 8.358 -8.169 1.00 0.00 O ATOM 2239 CB LEU A 140 -6.813 5.497 -6.517 1.00 0.00 C ATOM 2240 CG LEU A 140 -6.429 4.065 -6.885 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -6.892 3.113 -5.784 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -7.113 3.685 -8.197 1.00 0.00 C ATOM 0 H LEU A 140 -4.535 5.980 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 140 -5.725 6.152 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -6.755 5.634 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -7.844 5.695 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 140 -5.347 3.994 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -6.618 2.091 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -6.415 3.386 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.974 3.181 -5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.843 2.664 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.194 3.755 -8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.791 4.365 -8.986 1.00 0.00 H new ATOM 2254 N GLN A 141 -6.367 8.545 -6.072 1.00 0.00 N ATOM 2255 CA GLN A 141 -6.913 9.926 -5.963 1.00 0.00 C ATOM 2256 C GLN A 141 -6.028 10.875 -6.767 1.00 0.00 C ATOM 2257 O GLN A 141 -6.504 11.682 -7.539 1.00 0.00 O ATOM 2258 CB GLN A 141 -6.934 10.345 -4.486 1.00 0.00 C ATOM 2259 CG GLN A 141 -6.297 11.725 -4.315 1.00 0.00 C ATOM 2260 CD GLN A 141 -6.443 12.176 -2.861 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -7.117 11.434 -2.026 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -5.937 13.213 -2.480 1.00 0.00 N flip ATOM 0 H GLN A 141 -5.922 8.189 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 141 -7.929 9.962 -6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.961 10.364 -4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -6.396 9.612 -3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.243 11.688 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -6.776 12.444 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -5.410 13.793 -3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -6.039 13.503 -1.508 1.00 0.00 H new ATOM 2271 N GLU A 142 -4.739 10.773 -6.605 1.00 0.00 N ATOM 2272 CA GLU A 142 -3.823 11.655 -7.374 1.00 0.00 C ATOM 2273 C GLU A 142 -3.984 11.336 -8.857 1.00 0.00 C ATOM 2274 O GLU A 142 -3.941 12.208 -9.703 1.00 0.00 O ATOM 2275 CB GLU A 142 -2.381 11.387 -6.943 1.00 0.00 C ATOM 2276 CG GLU A 142 -2.197 11.820 -5.487 1.00 0.00 C ATOM 2277 CD GLU A 142 -0.755 11.551 -5.056 1.00 0.00 C ATOM 2278 OE1 GLU A 142 -0.374 12.031 -4.000 1.00 0.00 O ATOM 2279 OE2 GLU A 142 -0.059 10.866 -5.785 1.00 0.00 O ATOM 0 H GLU A 142 -4.281 10.116 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.060 12.703 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -2.148 10.328 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.690 11.932 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.429 12.880 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -2.888 11.275 -4.844 1.00 0.00 H new ATOM 2287 N GLY A 143 -4.189 10.088 -9.178 1.00 0.00 N ATOM 2288 CA GLY A 143 -4.375 9.711 -10.603 1.00 0.00 C ATOM 2289 C GLY A 143 -5.629 10.406 -11.130 1.00 0.00 C ATOM 2290 O GLY A 143 -5.637 10.964 -12.206 1.00 0.00 O ATOM 0 H GLY A 143 -4.235 9.315 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.504 10.005 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.473 8.630 -10.699 1.00 0.00 H new ATOM 2294 N HIS A 144 -6.686 10.388 -10.363 1.00 0.00 N ATOM 2295 CA HIS A 144 -7.944 11.056 -10.801 1.00 0.00 C ATOM 2296 C HIS A 144 -7.683 12.553 -10.985 1.00 0.00 C ATOM 2297 O HIS A 144 -8.244 13.187 -11.857 1.00 0.00 O ATOM 2298 CB HIS A 144 -9.025 10.860 -9.733 1.00 0.00 C ATOM 2299 CG HIS A 144 -10.005 9.810 -10.182 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -10.381 8.751 -9.365 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -10.708 9.648 -11.351 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -11.270 8.008 -10.048 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -11.500 8.510 -11.261 1.00 0.00 N ATOM 0 H HIS A 144 -6.732 9.938 -9.449 1.00 0.00 H new ATOM 0 HA HIS A 144 -8.278 10.621 -11.743 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -8.567 10.562 -8.790 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -9.545 11.801 -9.552 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -10.044 8.570 -8.419 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -10.654 10.304 -12.207 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -11.739 7.115 -9.661 1.00 0.00 H new ATOM 2312 N GLN A 145 -6.847 13.123 -10.162 1.00 0.00 N ATOM 2313 CA GLN A 145 -6.560 14.580 -10.283 1.00 0.00 C ATOM 2314 C GLN A 145 -6.087 14.909 -11.699 1.00 0.00 C ATOM 2315 O GLN A 145 -6.615 15.791 -12.348 1.00 0.00 O ATOM 2316 CB GLN A 145 -5.464 14.961 -9.288 1.00 0.00 C ATOM 2317 CG GLN A 145 -5.142 16.444 -9.433 1.00 0.00 C ATOM 2318 CD GLN A 145 -4.148 16.858 -8.347 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -3.853 16.090 -7.455 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -3.613 18.045 -8.389 1.00 0.00 N ATOM 0 H GLN A 145 -6.350 12.643 -9.411 1.00 0.00 H new ATOM 0 HA GLN A 145 -7.470 15.141 -10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -5.791 14.746 -8.270 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -4.570 14.364 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -4.722 16.641 -10.419 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -6.054 17.035 -9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -3.861 18.690 -9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -2.946 18.329 -7.672 1.00 0.00 H new ATOM 2329 N PHE A 146 -5.101 14.212 -12.184 1.00 0.00 N ATOM 2330 CA PHE A 146 -4.604 14.492 -13.560 1.00 0.00 C ATOM 2331 C PHE A 146 -5.723 14.264 -14.574 1.00 0.00 C ATOM 2332 O PHE A 146 -5.906 15.031 -15.498 1.00 0.00 O ATOM 2333 CB PHE A 146 -3.438 13.567 -13.903 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.987 13.867 -15.311 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.670 13.303 -16.395 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.900 14.720 -15.536 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.265 13.588 -17.702 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.495 15.007 -16.845 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.178 14.439 -17.929 1.00 0.00 C ATOM 0 H PHE A 146 -4.618 13.462 -11.690 1.00 0.00 H new ATOM 0 HA PHE A 146 -4.271 15.529 -13.599 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -2.617 13.717 -13.202 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.744 12.524 -13.817 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.510 12.647 -16.221 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.374 15.157 -14.700 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.792 13.151 -18.537 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.657 15.666 -17.019 1.00 0.00 H new ATOM 0 HZ PHE A 146 -1.865 14.658 -18.939 1.00 0.00 H new ATOM 2349 N LEU A 147 -6.471 13.210 -14.410 1.00 0.00 N ATOM 2350 CA LEU A 147 -7.572 12.928 -15.369 1.00 0.00 C ATOM 2351 C LEU A 147 -8.470 14.160 -15.474 1.00 0.00 C ATOM 2352 O LEU A 147 -8.968 14.482 -16.531 1.00 0.00 O ATOM 2353 CB LEU A 147 -8.377 11.724 -14.871 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.453 10.507 -14.760 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.245 9.310 -14.240 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -6.874 10.167 -16.136 1.00 0.00 C ATOM 0 H LEU A 147 -6.367 12.533 -13.654 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.165 12.699 -16.354 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -8.823 11.946 -13.901 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.197 11.511 -15.557 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.641 10.738 -14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -7.587 8.445 -14.161 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.655 9.544 -13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.059 9.085 -14.929 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.218 9.301 -16.051 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -7.686 9.940 -16.827 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.305 11.018 -16.512 1.00 0.00 H new ATOM 2368 N CYS A 148 -8.664 14.873 -14.401 1.00 0.00 N ATOM 2369 CA CYS A 148 -9.514 16.090 -14.486 1.00 0.00 C ATOM 2370 C CYS A 148 -9.046 16.912 -15.687 1.00 0.00 C ATOM 2371 O CYS A 148 -9.828 17.543 -16.369 1.00 0.00 O ATOM 2372 CB CYS A 148 -9.362 16.917 -13.209 1.00 0.00 C ATOM 2373 SG CYS A 148 -9.954 15.955 -11.796 1.00 0.00 S ATOM 0 H CYS A 148 -8.276 14.669 -13.480 1.00 0.00 H new ATOM 0 HA CYS A 148 -10.562 15.811 -14.600 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -8.318 17.193 -13.063 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -9.928 17.845 -13.294 1.00 0.00 H new ATOM 0 HG CYS A 148 -9.304 14.831 -11.734 1.00 0.00 H new ATOM 2379 N SER A 149 -7.769 16.892 -15.949 1.00 0.00 N ATOM 2380 CA SER A 149 -7.224 17.653 -17.108 1.00 0.00 C ATOM 2381 C SER A 149 -7.295 16.787 -18.369 1.00 0.00 C ATOM 2382 O SER A 149 -6.908 17.209 -19.439 1.00 0.00 O ATOM 2383 CB SER A 149 -5.764 18.013 -16.837 1.00 0.00 C ATOM 2384 OG SER A 149 -5.674 18.745 -15.623 1.00 0.00 O ATOM 0 H SER A 149 -7.075 16.378 -15.407 1.00 0.00 H new ATOM 0 HA SER A 149 -7.811 18.561 -17.250 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.161 17.107 -16.774 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.365 18.604 -17.661 1.00 0.00 H new ATOM 0 HG SER A 149 -4.737 18.975 -15.448 1.00 0.00 H new ATOM 2390 N ILE A 150 -7.769 15.575 -18.253 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.839 14.693 -19.446 1.00 0.00 C ATOM 2392 C ILE A 150 -9.202 14.834 -20.116 1.00 0.00 C ATOM 2393 O ILE A 150 -9.784 15.900 -20.160 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.616 13.239 -19.012 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -7.192 12.416 -20.219 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -8.903 12.648 -18.433 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -5.671 12.309 -20.247 1.00 0.00 C ATOM 0 H ILE A 150 -8.109 15.162 -17.385 1.00 0.00 H new ATOM 0 HA ILE A 150 -7.067 14.981 -20.159 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.840 13.216 -18.247 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -7.637 11.422 -20.170 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.552 12.882 -21.136 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.726 11.616 -18.131 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -9.214 13.232 -17.567 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -9.688 12.675 -19.189 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -5.364 11.720 -21.111 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -5.237 13.307 -20.315 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.324 11.824 -19.335 1.00 0.00 H new ATOM 2409 N GLU A 151 -9.711 13.761 -20.636 1.00 0.00 N ATOM 2410 CA GLU A 151 -11.039 13.806 -21.308 1.00 0.00 C ATOM 2411 C GLU A 151 -12.120 13.677 -20.248 1.00 0.00 C ATOM 2412 O GLU A 151 -13.284 13.478 -20.532 1.00 0.00 O ATOM 2413 CB GLU A 151 -11.143 12.655 -22.306 1.00 0.00 C ATOM 2414 CG GLU A 151 -9.864 12.616 -23.136 1.00 0.00 C ATOM 2415 CD GLU A 151 -10.083 11.765 -24.388 1.00 0.00 C ATOM 2416 OE1 GLU A 151 -11.135 11.160 -24.491 1.00 0.00 O ATOM 2417 OE2 GLU A 151 -9.194 11.733 -25.222 1.00 0.00 O ATOM 0 H GLU A 151 -9.263 12.844 -20.627 1.00 0.00 H new ATOM 0 HA GLU A 151 -11.161 14.747 -21.844 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -11.283 11.710 -21.781 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -12.010 12.792 -22.952 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -9.573 13.627 -23.419 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -9.048 12.203 -22.543 1.00 0.00 H new ATOM 2425 N ALA A 152 -11.720 13.791 -19.023 1.00 0.00 N ATOM 2426 CA ALA A 152 -12.685 13.683 -17.892 1.00 0.00 C ATOM 2427 C ALA A 152 -13.575 14.925 -17.863 1.00 0.00 C ATOM 2428 O ALA A 152 -14.642 14.923 -17.279 1.00 0.00 O ATOM 2429 CB ALA A 152 -11.915 13.576 -16.576 1.00 0.00 C ATOM 0 H ALA A 152 -10.752 13.957 -18.746 1.00 0.00 H new ATOM 0 HA ALA A 152 -13.304 12.796 -18.024 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -12.619 13.497 -15.748 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -11.279 12.691 -16.597 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -11.297 14.464 -16.443 1.00 0.00 H new ATOM 2435 N LEU A 153 -13.145 15.987 -18.487 1.00 0.00 N ATOM 2436 CA LEU A 153 -13.964 17.230 -18.496 1.00 0.00 C ATOM 2437 C LEU A 153 -15.316 16.943 -19.151 1.00 0.00 C ATOM 2438 O LEU A 153 -15.590 15.817 -19.559 1.00 0.00 O ATOM 2439 CB LEU A 153 -13.234 18.317 -19.289 1.00 0.00 C ATOM 2440 CG LEU A 153 -13.886 19.677 -19.029 1.00 0.00 C ATOM 2441 CD1 LEU A 153 -12.866 20.787 -19.276 1.00 0.00 C ATOM 2442 CD2 LEU A 153 -15.081 19.872 -19.971 1.00 0.00 C ATOM 0 H LEU A 153 -12.261 16.047 -18.991 1.00 0.00 H new ATOM 0 HA LEU A 153 -14.120 17.570 -17.472 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -12.183 18.346 -19.000 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -13.266 18.086 -20.354 1.00 0.00 H new ATOM 0 HG LEU A 153 -14.230 19.715 -17.995 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -13.330 21.756 -19.091 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -12.017 20.657 -18.605 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -12.522 20.741 -20.309 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -15.540 20.842 -19.780 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -14.740 19.829 -21.005 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -15.813 19.084 -19.798 1.00 0.00 H new