USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 144 HIS :FLIP no HD1:sc= -4.17! C(o=-6.2!,f=-5.6!) USER MOD Set 1.2: A 148 CYS SG : rot 68:sc= -1.43 USER MOD Set 2.1: A 86 ASN : amide:sc= -3.55 K(o=-3.5,f=-13!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc=-0.00299 USER MOD Set 3.1: A 49 HIS : no HE2:sc= -1.26! C(o=-1.7!,f=-16!) USER MOD Set 3.2: A 94 LYS NZ :NH3+ 158:sc= -0.461! (180deg=-0.308) USER MOD Set 4.1: A 42 HIS : no HE2:sc= -2.15! C(o=-2.2!,f=-3.2!) USER MOD Set 4.2: A 44 THR OG1 : rot -159:sc= -0.0125 USER MOD Single : A 11 CYS SG : rot 37:sc= -1.66 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 88:sc= -2.85! USER MOD Single : A 64 THR OG1 : rot 48:sc= -6.08! USER MOD Single : A 65 GLN : amide:sc= -0.834 K(o=-0.83,f=-5.9!) USER MOD Single : A 74 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.624 USER MOD Single : A 104 LYS NZ :NH3+ -102:sc= 0.547 (180deg=-1.66!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 37:sc= -0.571 USER MOD Single : A 114 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.03) USER MOD Single : A 116 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.1) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -2.62 USER MOD Single : A 129 GLN : amide:sc= -7.28! C(o=-7.3!,f=-10!) USER MOD Single : A 132 GLN :FLIP amide:sc= -4.4! C(o=-5.2!,f=-4.4!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -151:sc= -1.14 (180deg=-3.85!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= -5.58! (180deg=-5.58!) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.611 F(o=-3.9!,f=-0.61) USER MOD Single : A 145 GLN : amide:sc= -0.0959 X(o=-0.096,f=-0.11) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.701 -7.939 5.277 1.00 0.00 N ATOM 87 CA LEU A 8 6.434 -8.377 4.620 1.00 0.00 C ATOM 88 C LEU A 8 5.760 -7.172 3.955 1.00 0.00 C ATOM 89 O LEU A 8 5.724 -6.089 4.505 1.00 0.00 O ATOM 90 CB LEU A 8 5.476 -8.956 5.665 1.00 0.00 C ATOM 91 CG LEU A 8 6.263 -9.677 6.764 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.028 -8.654 7.604 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.288 -10.429 7.669 1.00 0.00 C ATOM 0 HA LEU A 8 6.669 -9.137 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.877 -8.157 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.783 -9.650 5.189 1.00 0.00 H new ATOM 0 HG LEU A 8 6.965 -10.375 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.587 -9.170 8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.719 -8.104 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.324 -7.959 8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.843 -10.944 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.592 -9.722 8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.732 -11.158 7.079 1.00 0.00 H new ATOM 105 N ARG A 9 5.208 -7.353 2.787 1.00 0.00 N ATOM 106 CA ARG A 9 4.516 -6.220 2.106 1.00 0.00 C ATOM 107 C ARG A 9 3.074 -6.151 2.616 1.00 0.00 C ATOM 108 O ARG A 9 2.415 -7.162 2.762 1.00 0.00 O ATOM 109 CB ARG A 9 4.512 -6.460 0.594 1.00 0.00 C ATOM 110 CG ARG A 9 4.093 -5.176 -0.126 1.00 0.00 C ATOM 111 CD ARG A 9 3.936 -5.462 -1.620 1.00 0.00 C ATOM 112 NE ARG A 9 5.254 -5.853 -2.195 1.00 0.00 N ATOM 113 CZ ARG A 9 5.302 -6.567 -3.289 1.00 0.00 C ATOM 114 NH1 ARG A 9 4.197 -6.953 -3.863 1.00 0.00 N ATOM 115 NH2 ARG A 9 6.454 -6.897 -3.803 1.00 0.00 N ATOM 0 H ARG A 9 5.206 -8.235 2.274 1.00 0.00 H new ATOM 0 HA ARG A 9 5.032 -5.284 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.503 -6.769 0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.826 -7.269 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.154 -4.805 0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.840 -4.398 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.210 -6.260 -1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.552 -4.579 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 9 6.118 -5.564 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.296 -6.698 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.233 -7.510 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.318 -6.598 -3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.491 -7.454 -4.657 1.00 0.00 H new ATOM 129 N ALA A 10 2.576 -4.977 2.898 1.00 0.00 N ATOM 130 CA ALA A 10 1.177 -4.879 3.408 1.00 0.00 C ATOM 131 C ALA A 10 0.518 -3.599 2.900 1.00 0.00 C ATOM 132 O ALA A 10 1.177 -2.646 2.538 1.00 0.00 O ATOM 133 CB ALA A 10 1.192 -4.855 4.936 1.00 0.00 C ATOM 0 H ALA A 10 3.071 -4.090 2.799 1.00 0.00 H new ATOM 0 HA ALA A 10 0.613 -5.741 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.170 -4.783 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.651 -5.770 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.765 -3.994 5.281 1.00 0.00 H new ATOM 139 N CYS A 11 -0.787 -3.571 2.885 1.00 0.00 N ATOM 140 CA CYS A 11 -1.503 -2.354 2.421 1.00 0.00 C ATOM 141 C CYS A 11 -2.846 -2.252 3.144 1.00 0.00 C ATOM 142 O CYS A 11 -3.660 -3.152 3.096 1.00 0.00 O ATOM 143 CB CYS A 11 -1.738 -2.442 0.911 1.00 0.00 C ATOM 144 SG CYS A 11 -0.522 -1.414 0.051 1.00 0.00 S ATOM 0 H CYS A 11 -1.388 -4.342 3.176 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.903 -1.471 2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.655 -3.477 0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.747 -2.109 0.669 1.00 0.00 H new ATOM 0 HG CYS A 11 0.618 -1.480 0.672 1.00 0.00 H new ATOM 150 N GLY A 12 -3.084 -1.157 3.803 1.00 0.00 N ATOM 151 CA GLY A 12 -4.375 -0.978 4.525 1.00 0.00 C ATOM 152 C GLY A 12 -5.000 0.339 4.079 1.00 0.00 C ATOM 153 O GLY A 12 -4.410 1.081 3.318 1.00 0.00 O ATOM 0 H GLY A 12 -2.437 -0.372 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.048 -1.808 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.209 -0.973 5.602 1.00 0.00 H new ATOM 157 N LEU A 13 -6.189 0.639 4.521 1.00 0.00 N ATOM 158 CA LEU A 13 -6.823 1.910 4.081 1.00 0.00 C ATOM 159 C LEU A 13 -7.139 2.810 5.269 1.00 0.00 C ATOM 160 O LEU A 13 -7.976 2.493 6.094 1.00 0.00 O ATOM 161 CB LEU A 13 -8.139 1.597 3.359 1.00 0.00 C ATOM 162 CG LEU A 13 -8.010 1.893 1.864 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.373 1.745 1.187 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.505 3.323 1.657 1.00 0.00 C ATOM 0 H LEU A 13 -6.742 0.067 5.159 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.124 2.422 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.403 0.550 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.946 2.192 3.786 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.303 1.188 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.275 1.957 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.738 0.727 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.079 2.446 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.416 3.526 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.209 4.026 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.530 3.437 2.131 1.00 0.00 H new ATOM 176 N ILE A 14 -6.543 3.970 5.324 1.00 0.00 N ATOM 177 CA ILE A 14 -6.899 4.908 6.415 1.00 0.00 C ATOM 178 C ILE A 14 -8.154 5.616 5.936 1.00 0.00 C ATOM 179 O ILE A 14 -8.123 6.432 5.037 1.00 0.00 O ATOM 180 CB ILE A 14 -5.768 5.903 6.676 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.606 5.162 7.336 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.261 7.008 7.614 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.398 6.091 7.458 1.00 0.00 C ATOM 0 H ILE A 14 -5.835 4.302 4.669 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.064 4.389 7.359 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.444 6.349 5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.903 4.807 8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.342 4.284 6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.453 7.716 7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.101 7.528 7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.580 6.568 8.559 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.574 5.556 7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.094 6.425 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.664 6.956 8.066 1.00 0.00 H new ATOM 195 N ILE A 15 -9.267 5.246 6.479 1.00 0.00 N ATOM 196 CA ILE A 15 -10.555 5.812 6.020 1.00 0.00 C ATOM 197 C ILE A 15 -10.959 7.015 6.861 1.00 0.00 C ATOM 198 O ILE A 15 -10.830 7.021 8.068 1.00 0.00 O ATOM 199 CB ILE A 15 -11.587 4.698 6.143 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.171 3.552 5.216 1.00 0.00 C ATOM 201 CG2 ILE A 15 -12.977 5.198 5.764 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.914 2.273 5.599 1.00 0.00 C ATOM 0 H ILE A 15 -9.342 4.564 7.234 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.476 6.165 4.992 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.629 4.354 7.177 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.390 3.813 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.095 3.391 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.695 4.384 5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.263 6.015 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.967 5.554 4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.612 1.464 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.673 2.007 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.988 2.435 5.508 1.00 0.00 H new ATOM 214 N PHE A 16 -11.451 8.038 6.215 1.00 0.00 N ATOM 215 CA PHE A 16 -11.875 9.258 6.947 1.00 0.00 C ATOM 216 C PHE A 16 -13.179 9.779 6.344 1.00 0.00 C ATOM 217 O PHE A 16 -13.249 10.086 5.171 1.00 0.00 O ATOM 218 CB PHE A 16 -10.795 10.325 6.797 1.00 0.00 C ATOM 219 CG PHE A 16 -10.771 10.811 5.370 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.059 10.094 4.401 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.463 11.974 5.015 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.037 10.541 3.076 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.443 12.421 3.689 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.730 11.704 2.721 1.00 0.00 C ATOM 0 H PHE A 16 -11.577 8.077 5.204 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.025 9.024 8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.993 11.157 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.822 9.916 7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.527 9.196 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.012 12.526 5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.486 9.990 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.977 13.318 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.715 12.049 1.698 1.00 0.00 H new ATOM 234 N ARG A 17 -14.213 9.897 7.131 1.00 0.00 N ATOM 235 CA ARG A 17 -15.495 10.412 6.577 1.00 0.00 C ATOM 236 C ARG A 17 -15.464 11.938 6.580 1.00 0.00 C ATOM 237 O ARG A 17 -15.262 12.564 7.602 1.00 0.00 O ATOM 238 CB ARG A 17 -16.666 9.927 7.425 1.00 0.00 C ATOM 239 CG ARG A 17 -17.971 10.414 6.793 1.00 0.00 C ATOM 240 CD ARG A 17 -19.155 9.961 7.643 1.00 0.00 C ATOM 241 NE ARG A 17 -20.427 10.421 7.014 1.00 0.00 N ATOM 242 CZ ARG A 17 -20.806 9.937 5.860 1.00 0.00 C ATOM 243 NH1 ARG A 17 -20.087 9.028 5.262 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.912 10.360 5.311 1.00 0.00 N ATOM 0 H ARG A 17 -14.226 9.662 8.123 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.619 10.044 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.661 8.839 7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.576 10.305 8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.964 11.501 6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.066 10.020 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.155 8.875 7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.068 10.367 8.651 1.00 0.00 H new ATOM 0 HE ARG A 17 -21.004 11.117 7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.226 8.693 5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.385 8.652 4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.478 11.066 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.211 9.985 4.411 1.00 0.00 H new ATOM 258 N ARG A 18 -15.659 12.542 5.442 1.00 0.00 N ATOM 259 CA ARG A 18 -15.636 14.027 5.374 1.00 0.00 C ATOM 260 C ARG A 18 -17.062 14.569 5.481 1.00 0.00 C ATOM 261 O ARG A 18 -17.977 14.074 4.853 1.00 0.00 O ATOM 262 CB ARG A 18 -15.014 14.456 4.045 1.00 0.00 C ATOM 263 CG ARG A 18 -14.856 15.976 4.013 1.00 0.00 C ATOM 264 CD ARG A 18 -14.108 16.381 2.741 1.00 0.00 C ATOM 265 NE ARG A 18 -14.917 16.008 1.546 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.997 16.680 1.252 1.00 0.00 C ATOM 267 NH1 ARG A 18 -16.361 17.690 1.995 1.00 0.00 N ATOM 268 NH2 ARG A 18 -16.711 16.343 0.213 1.00 0.00 N ATOM 0 H ARG A 18 -15.834 12.070 4.555 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.044 14.425 6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.043 13.978 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.643 14.129 3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.835 16.455 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.310 16.315 4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.919 17.454 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.137 15.886 2.705 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.627 15.227 0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.801 17.954 2.806 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.205 18.215 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.425 15.555 -0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.555 16.867 -0.018 1.00 0.00 H new ATOM 434 N ILE A 29 -14.104 15.532 10.833 1.00 0.00 N ATOM 435 CA ILE A 29 -13.786 14.288 10.083 1.00 0.00 C ATOM 436 C ILE A 29 -13.655 13.111 11.045 1.00 0.00 C ATOM 437 O ILE A 29 -13.117 13.234 12.128 1.00 0.00 O ATOM 438 CB ILE A 29 -12.473 14.490 9.327 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.738 15.382 8.113 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.926 13.139 8.868 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.438 16.048 7.652 1.00 0.00 C ATOM 0 HA ILE A 29 -14.590 14.071 9.379 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.739 14.962 9.980 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.159 14.788 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.475 16.144 8.366 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.990 13.289 8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.747 12.505 9.736 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.650 12.658 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.640 16.680 6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.035 16.657 8.461 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.713 15.281 7.379 1.00 0.00 H new ATOM 453 N GLU A 30 -14.141 11.969 10.652 1.00 0.00 N ATOM 454 CA GLU A 30 -14.048 10.770 11.531 1.00 0.00 C ATOM 455 C GLU A 30 -13.287 9.672 10.785 1.00 0.00 C ATOM 456 O GLU A 30 -13.299 9.622 9.573 1.00 0.00 O ATOM 457 CB GLU A 30 -15.454 10.273 11.870 1.00 0.00 C ATOM 458 CG GLU A 30 -16.252 11.399 12.528 1.00 0.00 C ATOM 459 CD GLU A 30 -17.613 10.863 12.976 1.00 0.00 C ATOM 460 OE1 GLU A 30 -18.364 11.621 13.568 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.882 9.698 12.723 1.00 0.00 O ATOM 0 H GLU A 30 -14.601 11.812 9.755 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.526 11.026 12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.960 9.936 10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.396 9.415 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.705 11.795 13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.386 12.222 11.827 1.00 0.00 H new ATOM 469 N PHE A 31 -12.627 8.795 11.493 1.00 0.00 N ATOM 470 CA PHE A 31 -11.865 7.710 10.806 1.00 0.00 C ATOM 471 C PHE A 31 -12.455 6.346 11.166 1.00 0.00 C ATOM 472 O PHE A 31 -12.989 6.150 12.239 1.00 0.00 O ATOM 473 CB PHE A 31 -10.397 7.749 11.245 1.00 0.00 C ATOM 474 CG PHE A 31 -9.765 9.058 10.830 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.173 9.182 9.564 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.763 10.145 11.712 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.582 10.395 9.184 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.172 11.355 11.329 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.583 11.479 10.066 1.00 0.00 C ATOM 0 H PHE A 31 -12.582 8.782 12.512 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.933 7.864 9.729 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.330 7.630 12.326 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.854 6.916 10.799 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.173 8.344 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.217 10.050 12.687 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.126 10.492 8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.171 12.194 12.009 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.129 12.414 9.772 1.00 0.00 H new ATOM 489 N LEU A 32 -12.344 5.390 10.280 1.00 0.00 N ATOM 490 CA LEU A 32 -12.880 4.034 10.584 1.00 0.00 C ATOM 491 C LEU A 32 -11.816 3.248 11.344 1.00 0.00 C ATOM 492 O LEU A 32 -10.690 3.123 10.906 1.00 0.00 O ATOM 493 CB LEU A 32 -13.226 3.295 9.286 1.00 0.00 C ATOM 494 CG LEU A 32 -13.671 1.869 9.619 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.862 1.915 10.571 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.082 1.150 8.337 1.00 0.00 C ATOM 0 H LEU A 32 -11.907 5.491 9.364 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.784 4.128 11.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.019 3.821 8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.360 3.273 8.625 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.846 1.335 10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.178 0.899 10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.575 2.429 11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.685 2.450 10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.399 0.135 8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.906 1.687 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.235 1.115 7.652 1.00 0.00 H new ATOM 508 N LEU A 33 -12.164 2.718 12.482 1.00 0.00 N ATOM 509 CA LEU A 33 -11.173 1.938 13.273 1.00 0.00 C ATOM 510 C LEU A 33 -11.754 0.569 13.609 1.00 0.00 C ATOM 511 O LEU A 33 -12.884 0.450 14.037 1.00 0.00 O ATOM 512 CB LEU A 33 -10.839 2.694 14.561 1.00 0.00 C ATOM 513 CG LEU A 33 -9.692 3.669 14.289 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.652 4.734 15.385 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.367 2.901 14.275 1.00 0.00 C ATOM 0 H LEU A 33 -13.092 2.791 12.899 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.262 1.806 12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.716 3.235 14.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.557 1.992 15.346 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.846 4.151 13.324 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.834 5.427 15.189 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.595 5.280 15.397 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.498 4.255 16.352 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.547 3.593 14.081 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.215 2.420 15.241 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.394 2.143 13.492 1.00 0.00 H new ATOM 527 N LEU A 34 -10.992 -0.467 13.407 1.00 0.00 N ATOM 528 CA LEU A 34 -11.494 -1.837 13.702 1.00 0.00 C ATOM 529 C LEU A 34 -10.802 -2.378 14.954 1.00 0.00 C ATOM 530 O LEU A 34 -9.624 -2.166 15.162 1.00 0.00 O ATOM 531 CB LEU A 34 -11.192 -2.739 12.507 1.00 0.00 C ATOM 532 CG LEU A 34 -11.751 -2.089 11.241 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.366 -2.919 10.019 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.276 -2.014 11.336 1.00 0.00 C ATOM 0 H LEU A 34 -10.038 -0.424 13.048 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.569 -1.811 13.878 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.117 -2.889 12.410 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.639 -3.722 12.655 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.337 -1.085 11.143 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.767 -2.451 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.280 -2.975 9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.776 -3.924 10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.674 -1.551 10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.684 -3.020 11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.558 -1.418 12.204 1.00 0.00 H new ATOM 546 N GLN A 35 -11.522 -3.075 15.785 1.00 0.00 N ATOM 547 CA GLN A 35 -10.904 -3.630 17.022 1.00 0.00 C ATOM 548 C GLN A 35 -10.507 -5.086 16.780 1.00 0.00 C ATOM 549 O GLN A 35 -11.328 -5.914 16.446 1.00 0.00 O ATOM 550 CB GLN A 35 -11.914 -3.564 18.171 1.00 0.00 C ATOM 551 CG GLN A 35 -11.253 -4.042 19.465 1.00 0.00 C ATOM 552 CD GLN A 35 -12.311 -4.176 20.561 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.238 -4.953 20.437 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.212 -3.447 21.639 1.00 0.00 N ATOM 0 H GLN A 35 -12.513 -3.285 15.662 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.020 -3.047 17.280 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.276 -2.543 18.292 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.780 -4.185 17.943 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.761 -5.001 19.301 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.482 -3.336 19.774 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.435 -2.795 21.744 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.912 -3.529 22.376 1.00 0.00 H new ATOM 641 N HIS A 42 -6.174 -3.961 20.265 1.00 0.00 N ATOM 642 CA HIS A 42 -5.871 -2.527 19.991 1.00 0.00 C ATOM 643 C HIS A 42 -6.696 -2.059 18.793 1.00 0.00 C ATOM 644 O HIS A 42 -7.352 -2.844 18.135 1.00 0.00 O ATOM 645 CB HIS A 42 -4.382 -2.367 19.677 1.00 0.00 C ATOM 646 CG HIS A 42 -4.065 -3.072 18.385 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.273 -4.212 18.337 1.00 0.00 N ATOM 648 CD2 HIS A 42 -4.424 -2.810 17.085 1.00 0.00 C ATOM 649 CE1 HIS A 42 -3.184 -4.588 17.047 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.868 -3.768 16.248 1.00 0.00 N ATOM 0 HA HIS A 42 -6.121 -1.928 20.867 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.127 -1.310 19.599 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.782 -2.781 20.487 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -2.838 -4.679 19.133 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.043 -1.986 16.764 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.628 -5.447 16.702 1.00 0.00 H new ATOM 659 N TRP A 43 -6.678 -0.787 18.505 1.00 0.00 N ATOM 660 CA TRP A 43 -7.472 -0.276 17.354 1.00 0.00 C ATOM 661 C TRP A 43 -6.548 0.000 16.168 1.00 0.00 C ATOM 662 O TRP A 43 -5.491 0.581 16.314 1.00 0.00 O ATOM 663 CB TRP A 43 -8.169 1.021 17.762 1.00 0.00 C ATOM 664 CG TRP A 43 -9.080 0.750 18.916 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.714 0.784 20.217 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.497 0.412 18.897 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.815 0.482 20.998 1.00 0.00 N ATOM 668 CE2 TRP A 43 -10.937 0.246 20.232 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.433 0.233 17.863 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.258 -0.087 20.530 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.765 -0.102 18.161 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.177 -0.261 19.491 1.00 0.00 C ATOM 0 H TRP A 43 -6.149 -0.081 19.016 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.213 -1.022 17.067 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.430 1.774 18.036 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.736 1.422 16.922 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.724 1.010 20.586 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.799 0.439 22.017 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.127 0.354 16.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.569 -0.210 21.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.476 -0.238 17.359 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.202 -0.517 19.713 1.00 0.00 H new ATOM 683 N THR A 44 -6.948 -0.401 14.995 1.00 0.00 N ATOM 684 CA THR A 44 -6.105 -0.156 13.791 1.00 0.00 C ATOM 685 C THR A 44 -6.989 -0.233 12.544 1.00 0.00 C ATOM 686 O THR A 44 -7.984 -0.933 12.525 1.00 0.00 O ATOM 687 CB THR A 44 -5.010 -1.224 13.708 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.381 -2.345 14.495 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.687 -0.651 14.221 1.00 0.00 C ATOM 0 H THR A 44 -7.825 -0.890 14.817 1.00 0.00 H new ATOM 0 HA THR A 44 -5.642 0.829 13.857 1.00 0.00 H new ATOM 0 HB THR A 44 -4.887 -1.534 12.670 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.582 -2.865 14.720 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.912 -1.415 14.160 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.401 0.206 13.611 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.805 -0.336 15.258 1.00 0.00 H new ATOM 697 N PRO A 45 -6.631 0.476 11.508 1.00 0.00 N ATOM 698 CA PRO A 45 -7.408 0.478 10.236 1.00 0.00 C ATOM 699 C PRO A 45 -7.349 -0.884 9.538 1.00 0.00 C ATOM 700 O PRO A 45 -6.417 -1.641 9.724 1.00 0.00 O ATOM 701 CB PRO A 45 -6.726 1.548 9.378 1.00 0.00 C ATOM 702 CG PRO A 45 -5.356 1.710 9.951 1.00 0.00 C ATOM 703 CD PRO A 45 -5.452 1.349 11.432 1.00 0.00 C ATOM 0 HA PRO A 45 -8.465 0.680 10.407 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.680 1.242 8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.278 2.487 9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.644 1.061 9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.003 2.733 9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.554 0.838 11.777 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.572 2.237 12.053 1.00 0.00 H new ATOM 711 N PRO A 46 -8.337 -1.196 8.744 1.00 0.00 N ATOM 712 CA PRO A 46 -8.391 -2.493 8.014 1.00 0.00 C ATOM 713 C PRO A 46 -7.149 -2.710 7.147 1.00 0.00 C ATOM 714 O PRO A 46 -6.893 -1.973 6.216 1.00 0.00 O ATOM 715 CB PRO A 46 -9.646 -2.390 7.134 1.00 0.00 C ATOM 716 CG PRO A 46 -10.086 -0.961 7.185 1.00 0.00 C ATOM 717 CD PRO A 46 -9.501 -0.351 8.457 1.00 0.00 C ATOM 0 HA PRO A 46 -8.424 -3.337 8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.427 -2.692 6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.432 -3.051 7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.739 -0.420 6.305 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.174 -0.894 7.192 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.213 0.689 8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.220 -0.368 9.276 1.00 0.00 H new ATOM 725 N LYS A 47 -6.374 -3.715 7.449 1.00 0.00 N ATOM 726 CA LYS A 47 -5.149 -3.975 6.644 1.00 0.00 C ATOM 727 C LYS A 47 -5.017 -5.469 6.362 1.00 0.00 C ATOM 728 O LYS A 47 -5.600 -6.297 7.032 1.00 0.00 O ATOM 729 CB LYS A 47 -3.917 -3.484 7.405 1.00 0.00 C ATOM 730 CG LYS A 47 -3.694 -4.354 8.645 1.00 0.00 C ATOM 731 CD LYS A 47 -2.546 -3.772 9.474 1.00 0.00 C ATOM 732 CE LYS A 47 -2.126 -4.774 10.548 1.00 0.00 C ATOM 733 NZ LYS A 47 -3.070 -4.691 11.700 1.00 0.00 N ATOM 0 H LYS A 47 -6.536 -4.366 8.217 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.226 -3.439 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.040 -3.523 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.050 -2.443 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.605 -4.395 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.461 -5.377 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.699 -3.541 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.858 -2.836 9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.124 -5.784 10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.110 -4.563 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.785 -5.373 12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.051 -3.730 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.033 -4.913 11.376 1.00 0.00 H new ATOM 747 N GLY A 48 -4.249 -5.817 5.371 1.00 0.00 N ATOM 748 CA GLY A 48 -4.062 -7.254 5.032 1.00 0.00 C ATOM 749 C GLY A 48 -2.742 -7.424 4.277 1.00 0.00 C ATOM 750 O GLY A 48 -1.976 -6.492 4.138 1.00 0.00 O ATOM 0 H GLY A 48 -3.739 -5.164 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.056 -7.857 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.893 -7.607 4.421 1.00 0.00 H new ATOM 754 N HIS A 49 -2.468 -8.601 3.788 1.00 0.00 N ATOM 755 CA HIS A 49 -1.193 -8.809 3.044 1.00 0.00 C ATOM 756 C HIS A 49 -1.475 -8.741 1.543 1.00 0.00 C ATOM 757 O HIS A 49 -2.433 -9.310 1.058 1.00 0.00 O ATOM 758 CB HIS A 49 -0.615 -10.184 3.392 1.00 0.00 C ATOM 759 CG HIS A 49 -0.428 -10.288 4.881 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.387 -10.852 5.708 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.603 -9.907 5.705 1.00 0.00 C ATOM 762 CE1 HIS A 49 -0.920 -10.795 6.969 1.00 0.00 C ATOM 763 NE2 HIS A 49 0.287 -10.230 7.020 1.00 0.00 N ATOM 0 H HIS A 49 -3.066 -9.423 3.870 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.476 -8.036 3.321 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.284 -10.970 3.043 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.339 -10.328 2.884 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.284 -11.240 5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.517 -9.431 5.382 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.456 -11.161 7.832 1.00 0.00 H new ATOM 772 N VAL A 50 -0.660 -8.042 0.802 1.00 0.00 N ATOM 773 CA VAL A 50 -0.900 -7.936 -0.664 1.00 0.00 C ATOM 774 C VAL A 50 -0.314 -9.158 -1.378 1.00 0.00 C ATOM 775 O VAL A 50 0.769 -9.614 -1.075 1.00 0.00 O ATOM 776 CB VAL A 50 -0.261 -6.651 -1.204 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.521 -5.951 -0.092 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.680 -6.981 -2.367 1.00 0.00 C ATOM 0 H VAL A 50 0.159 -7.541 1.147 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.974 -7.901 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.050 -5.988 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.972 -5.039 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.155 -5.700 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.304 -6.614 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.129 -6.062 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.465 -7.653 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.116 -7.463 -3.166 1.00 0.00 H new ATOM 788 N GLU A 51 -1.035 -9.684 -2.329 1.00 0.00 N ATOM 789 CA GLU A 51 -0.554 -10.873 -3.087 1.00 0.00 C ATOM 790 C GLU A 51 0.661 -10.469 -3.940 1.00 0.00 C ATOM 791 O GLU A 51 1.132 -9.353 -3.853 1.00 0.00 O ATOM 792 CB GLU A 51 -1.700 -11.364 -3.979 1.00 0.00 C ATOM 793 CG GLU A 51 -2.068 -12.811 -3.628 1.00 0.00 C ATOM 794 CD GLU A 51 -3.175 -12.814 -2.570 1.00 0.00 C ATOM 795 OE1 GLU A 51 -4.225 -12.252 -2.838 1.00 0.00 O ATOM 796 OE2 GLU A 51 -2.953 -13.380 -1.513 1.00 0.00 O ATOM 0 H GLU A 51 -1.949 -9.336 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.251 -11.672 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.570 -10.720 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.407 -11.301 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.402 -13.339 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.191 -13.340 -3.254 1.00 0.00 H new ATOM 804 N PRO A 52 1.180 -11.365 -4.747 1.00 0.00 N ATOM 805 CA PRO A 52 2.370 -11.068 -5.597 1.00 0.00 C ATOM 806 C PRO A 52 2.020 -10.167 -6.783 1.00 0.00 C ATOM 807 O PRO A 52 2.354 -8.999 -6.807 1.00 0.00 O ATOM 808 CB PRO A 52 2.825 -12.445 -6.084 1.00 0.00 C ATOM 809 CG PRO A 52 1.607 -13.305 -6.042 1.00 0.00 C ATOM 810 CD PRO A 52 0.700 -12.745 -4.943 1.00 0.00 C ATOM 0 HA PRO A 52 3.139 -10.529 -5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.232 -12.390 -7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.612 -12.847 -5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.096 -13.297 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.874 -14.341 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.348 -12.763 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.779 -13.328 -4.026 1.00 0.00 H new ATOM 818 N GLY A 53 1.342 -10.694 -7.764 1.00 0.00 N ATOM 819 CA GLY A 53 0.964 -9.861 -8.940 1.00 0.00 C ATOM 820 C GLY A 53 -0.245 -9.002 -8.572 1.00 0.00 C ATOM 821 O GLY A 53 -1.028 -8.614 -9.418 1.00 0.00 O ATOM 0 H GLY A 53 1.033 -11.665 -7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.800 -9.227 -9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.728 -10.498 -9.793 1.00 0.00 H new ATOM 825 N GLU A 54 -0.410 -8.712 -7.310 1.00 0.00 N ATOM 826 CA GLU A 54 -1.571 -7.888 -6.871 1.00 0.00 C ATOM 827 C GLU A 54 -1.148 -6.427 -6.738 1.00 0.00 C ATOM 828 O GLU A 54 -0.011 -6.125 -6.435 1.00 0.00 O ATOM 829 CB GLU A 54 -2.066 -8.387 -5.515 1.00 0.00 C ATOM 830 CG GLU A 54 -3.360 -7.662 -5.144 1.00 0.00 C ATOM 831 CD GLU A 54 -3.755 -8.018 -3.708 1.00 0.00 C ATOM 832 OE1 GLU A 54 -2.976 -8.682 -3.049 1.00 0.00 O ATOM 833 OE2 GLU A 54 -4.831 -7.623 -3.296 1.00 0.00 O ATOM 0 H GLU A 54 0.213 -9.012 -6.561 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.367 -7.972 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.238 -9.463 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.307 -8.212 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.225 -6.585 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.157 -7.945 -5.832 1.00 0.00 H new ATOM 841 N ASP A 55 -2.055 -5.517 -6.957 1.00 0.00 N ATOM 842 CA ASP A 55 -1.706 -4.076 -6.832 1.00 0.00 C ATOM 843 C ASP A 55 -1.610 -3.700 -5.356 1.00 0.00 C ATOM 844 O ASP A 55 -2.107 -4.396 -4.489 1.00 0.00 O ATOM 845 CB ASP A 55 -2.777 -3.219 -7.493 1.00 0.00 C ATOM 846 CG ASP A 55 -2.285 -1.773 -7.593 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.165 -1.519 -7.186 1.00 0.00 O ATOM 848 OD2 ASP A 55 -3.039 -0.943 -8.075 1.00 0.00 O ATOM 0 H ASP A 55 -3.022 -5.709 -7.217 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.749 -3.902 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.006 -3.606 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.700 -3.261 -6.914 1.00 0.00 H new ATOM 854 N ASP A 56 -0.967 -2.610 -5.071 1.00 0.00 N ATOM 855 CA ASP A 56 -0.818 -2.176 -3.650 1.00 0.00 C ATOM 856 C ASP A 56 -2.137 -1.597 -3.121 1.00 0.00 C ATOM 857 O ASP A 56 -2.687 -2.076 -2.150 1.00 0.00 O ATOM 858 CB ASP A 56 0.277 -1.110 -3.561 1.00 0.00 C ATOM 859 CG ASP A 56 1.619 -1.729 -3.952 1.00 0.00 C ATOM 860 OD1 ASP A 56 2.531 -0.978 -4.251 1.00 0.00 O ATOM 861 OD2 ASP A 56 1.711 -2.946 -3.945 1.00 0.00 O ATOM 0 H ASP A 56 -0.534 -1.994 -5.759 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.548 -3.041 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.042 -0.275 -4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.329 -0.710 -2.548 1.00 0.00 H new ATOM 867 N LEU A 57 -2.640 -0.562 -3.741 1.00 0.00 N ATOM 868 CA LEU A 57 -3.912 0.054 -3.260 1.00 0.00 C ATOM 869 C LEU A 57 -5.062 -0.951 -3.349 1.00 0.00 C ATOM 870 O LEU A 57 -5.876 -1.053 -2.455 1.00 0.00 O ATOM 871 CB LEU A 57 -4.241 1.277 -4.121 1.00 0.00 C ATOM 872 CG LEU A 57 -5.600 1.853 -3.710 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.585 2.231 -2.229 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.896 3.102 -4.541 1.00 0.00 C ATOM 0 H LEU A 57 -2.225 -0.117 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.786 0.353 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.465 2.034 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.258 0.997 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.369 1.100 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.556 2.639 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.377 1.345 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.812 2.979 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.863 3.512 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.119 3.846 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.918 2.839 -5.598 1.00 0.00 H new ATOM 886 N GLU A 58 -5.138 -1.689 -4.419 1.00 0.00 N ATOM 887 CA GLU A 58 -6.242 -2.679 -4.568 1.00 0.00 C ATOM 888 C GLU A 58 -6.235 -3.615 -3.363 1.00 0.00 C ATOM 889 O GLU A 58 -7.271 -3.972 -2.836 1.00 0.00 O ATOM 890 CB GLU A 58 -6.026 -3.486 -5.848 1.00 0.00 C ATOM 891 CG GLU A 58 -6.255 -2.594 -7.073 1.00 0.00 C ATOM 892 CD GLU A 58 -5.356 -1.355 -7.007 1.00 0.00 C ATOM 893 OE1 GLU A 58 -5.665 -0.388 -7.683 1.00 0.00 O ATOM 894 OE2 GLU A 58 -4.377 -1.389 -6.284 1.00 0.00 O ATOM 0 H GLU A 58 -4.482 -1.650 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.201 -2.163 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.014 -3.891 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.709 -4.335 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.045 -3.155 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.301 -2.290 -7.119 1.00 0.00 H new ATOM 902 N THR A 59 -5.078 -3.996 -2.897 1.00 0.00 N ATOM 903 CA THR A 59 -5.031 -4.879 -1.705 1.00 0.00 C ATOM 904 C THR A 59 -5.738 -4.156 -0.568 1.00 0.00 C ATOM 905 O THR A 59 -6.513 -4.733 0.169 1.00 0.00 O ATOM 906 CB THR A 59 -3.577 -5.161 -1.325 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.952 -5.860 -2.393 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.529 -6.002 -0.049 1.00 0.00 C ATOM 0 H THR A 59 -4.172 -3.736 -3.288 1.00 0.00 H new ATOM 0 HA THR A 59 -5.520 -5.831 -1.912 1.00 0.00 H new ATOM 0 HB THR A 59 -3.052 -4.223 -1.144 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.578 -5.217 -3.031 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.491 -6.200 0.217 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.015 -5.460 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.047 -6.946 -0.216 1.00 0.00 H new ATOM 916 N ALA A 60 -5.501 -2.882 -0.447 1.00 0.00 N ATOM 917 CA ALA A 60 -6.182 -2.101 0.613 1.00 0.00 C ATOM 918 C ALA A 60 -7.674 -2.052 0.282 1.00 0.00 C ATOM 919 O ALA A 60 -8.519 -2.249 1.131 1.00 0.00 O ATOM 920 CB ALA A 60 -5.611 -0.684 0.644 1.00 0.00 C ATOM 0 H ALA A 60 -4.864 -2.349 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.029 -2.564 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.110 -0.108 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.542 -0.727 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.773 -0.205 -0.322 1.00 0.00 H new ATOM 926 N LEU A 61 -7.999 -1.805 -0.964 1.00 0.00 N ATOM 927 CA LEU A 61 -9.432 -1.754 -1.373 1.00 0.00 C ATOM 928 C LEU A 61 -10.103 -3.077 -1.019 1.00 0.00 C ATOM 929 O LEU A 61 -11.135 -3.117 -0.378 1.00 0.00 O ATOM 930 CB LEU A 61 -9.509 -1.572 -2.890 1.00 0.00 C ATOM 931 CG LEU A 61 -8.835 -0.265 -3.289 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.867 -0.137 -4.813 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.586 0.908 -2.658 1.00 0.00 C ATOM 0 H LEU A 61 -7.330 -1.637 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.928 -0.929 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.024 -2.410 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.550 -1.568 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.802 -0.257 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.387 0.795 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.335 -0.977 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.901 -0.138 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.105 1.844 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.618 0.910 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.571 0.808 -1.573 1.00 0.00 H new ATOM 945 N ARG A 62 -9.520 -4.162 -1.439 1.00 0.00 N ATOM 946 CA ARG A 62 -10.113 -5.492 -1.137 1.00 0.00 C ATOM 947 C ARG A 62 -10.108 -5.719 0.375 1.00 0.00 C ATOM 948 O ARG A 62 -11.074 -6.183 0.945 1.00 0.00 O ATOM 949 CB ARG A 62 -9.287 -6.579 -1.830 1.00 0.00 C ATOM 950 CG ARG A 62 -9.946 -7.947 -1.629 1.00 0.00 C ATOM 951 CD ARG A 62 -11.151 -8.086 -2.564 1.00 0.00 C ATOM 952 NE ARG A 62 -11.790 -9.414 -2.346 1.00 0.00 N ATOM 953 CZ ARG A 62 -11.163 -10.502 -2.699 1.00 0.00 C ATOM 954 NH1 ARG A 62 -9.983 -10.424 -3.252 1.00 0.00 N ATOM 955 NH2 ARG A 62 -11.716 -11.666 -2.497 1.00 0.00 N ATOM 0 H ARG A 62 -8.656 -4.185 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.140 -5.531 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.203 -6.360 -2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.275 -6.591 -1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.226 -8.740 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.264 -8.059 -0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.869 -7.288 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.834 -7.988 -3.602 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.716 -9.472 -1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.552 -9.513 -3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.492 -11.274 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.637 -11.725 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.227 -12.518 -2.773 1.00 0.00 H new ATOM 969 N ALA A 63 -9.029 -5.392 1.030 1.00 0.00 N ATOM 970 CA ALA A 63 -8.966 -5.587 2.506 1.00 0.00 C ATOM 971 C ALA A 63 -9.940 -4.628 3.186 1.00 0.00 C ATOM 972 O ALA A 63 -10.534 -4.942 4.200 1.00 0.00 O ATOM 973 CB ALA A 63 -7.544 -5.310 2.995 1.00 0.00 C ATOM 0 H ALA A 63 -8.188 -4.998 0.608 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.239 -6.613 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.496 -5.452 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.851 -5.996 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.269 -4.284 2.752 1.00 0.00 H new ATOM 979 N THR A 64 -10.108 -3.458 2.637 1.00 0.00 N ATOM 980 CA THR A 64 -11.041 -2.474 3.251 1.00 0.00 C ATOM 981 C THR A 64 -12.441 -3.083 3.337 1.00 0.00 C ATOM 982 O THR A 64 -13.116 -2.969 4.339 1.00 0.00 O ATOM 983 CB THR A 64 -11.087 -1.217 2.382 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.769 -0.726 2.190 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.931 -0.145 3.068 1.00 0.00 C ATOM 0 H THR A 64 -9.639 -3.140 1.789 1.00 0.00 H new ATOM 0 HA THR A 64 -10.696 -2.217 4.252 1.00 0.00 H new ATOM 0 HB THR A 64 -11.531 -1.464 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.181 -1.463 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.961 0.749 2.445 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.944 -0.519 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.491 0.101 4.035 1.00 0.00 H new ATOM 993 N GLN A 65 -12.885 -3.726 2.291 1.00 0.00 N ATOM 994 CA GLN A 65 -14.241 -4.339 2.313 1.00 0.00 C ATOM 995 C GLN A 65 -14.207 -5.677 3.054 1.00 0.00 C ATOM 996 O GLN A 65 -15.100 -6.000 3.810 1.00 0.00 O ATOM 997 CB GLN A 65 -14.734 -4.540 0.877 1.00 0.00 C ATOM 998 CG GLN A 65 -15.370 -5.925 0.726 1.00 0.00 C ATOM 999 CD GLN A 65 -16.052 -6.021 -0.642 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.230 -5.025 -1.314 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.444 -7.184 -1.083 1.00 0.00 N ATOM 0 H GLN A 65 -12.366 -3.853 1.422 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.926 -3.673 2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.461 -3.768 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.902 -4.436 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.609 -6.700 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.097 -6.093 1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -16.294 -8.020 -0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.900 -7.257 -1.992 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.189 -6.461 2.847 1.00 0.00 N ATOM 1011 CA GLU A 66 -13.117 -7.774 3.544 1.00 0.00 C ATOM 1012 C GLU A 66 -13.022 -7.555 5.054 1.00 0.00 C ATOM 1013 O GLU A 66 -13.586 -8.298 5.833 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.884 -8.542 3.065 1.00 0.00 C ATOM 1015 CG GLU A 66 -12.077 -8.969 1.608 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.851 -9.756 1.142 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.921 -10.351 0.081 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -9.859 -9.745 1.855 1.00 0.00 O ATOM 0 H GLU A 66 -12.406 -6.251 2.228 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.016 -8.348 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.996 -7.917 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.723 -9.418 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.974 -9.581 1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.221 -8.092 0.977 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.307 -6.549 5.478 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.172 -6.296 6.941 1.00 0.00 C ATOM 1028 C GLU A 67 -13.091 -5.148 7.372 1.00 0.00 C ATOM 1029 O GLU A 67 -13.014 -4.673 8.487 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.721 -5.935 7.261 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.816 -7.124 6.934 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.375 -6.792 7.323 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.118 -5.644 7.647 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.550 -7.691 7.289 1.00 0.00 O ATOM 0 H GLU A 67 -11.811 -5.892 4.876 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.458 -7.197 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.416 -5.062 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.625 -5.670 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.154 -8.010 7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.872 -7.356 5.870 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.958 -4.693 6.508 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.865 -3.576 6.897 1.00 0.00 C ATOM 1044 C ALA A 68 -16.132 -3.603 6.044 1.00 0.00 C ATOM 1045 O ALA A 68 -17.160 -3.093 6.435 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.149 -2.241 6.690 1.00 0.00 C ATOM 0 H ALA A 68 -14.077 -5.043 5.557 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.137 -3.693 7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.812 -1.424 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.251 -2.210 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.873 -2.135 5.641 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.073 -4.188 4.885 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.287 -4.236 4.020 1.00 0.00 C ATOM 1054 C GLY A 69 -17.321 -3.003 3.122 1.00 0.00 C ATOM 1055 O GLY A 69 -18.181 -2.864 2.273 1.00 0.00 O ATOM 0 H GLY A 69 -15.242 -4.634 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.278 -5.141 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.185 -4.275 4.637 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.393 -2.103 3.300 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.372 -0.880 2.460 1.00 0.00 C ATOM 1061 C ILE A 70 -15.274 -1.017 1.400 1.00 0.00 C ATOM 1062 O ILE A 70 -14.129 -1.281 1.713 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.082 0.336 3.339 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.919 0.274 4.620 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.465 1.597 2.571 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.304 1.186 5.686 1.00 0.00 C ATOM 0 H ILE A 70 -15.648 -2.165 3.994 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.339 -0.752 1.973 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.023 0.346 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.943 0.583 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.963 -0.751 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.263 2.473 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.880 1.656 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.526 1.564 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.903 1.138 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.288 0.858 5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.283 2.212 5.319 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.615 -0.844 0.152 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.599 -0.965 -0.936 1.00 0.00 C ATOM 1080 C GLU A 71 -14.455 0.374 -1.658 1.00 0.00 C ATOM 1081 O GLU A 71 -15.216 1.294 -1.432 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.057 -2.025 -1.939 1.00 0.00 C ATOM 1083 CG GLU A 71 -16.356 -1.560 -2.598 1.00 0.00 C ATOM 1084 CD GLU A 71 -16.834 -2.614 -3.598 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -17.934 -2.464 -4.105 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -16.093 -3.552 -3.842 1.00 0.00 O ATOM 0 H GLU A 71 -16.559 -0.623 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.640 -1.251 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.288 -2.185 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.211 -2.979 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.120 -1.392 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.197 -0.609 -3.106 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.495 0.493 -2.539 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.325 1.777 -3.278 1.00 0.00 C ATOM 1096 C ALA A 72 -14.675 2.195 -3.845 1.00 0.00 C ATOM 1097 O ALA A 72 -15.016 3.361 -3.879 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.320 1.590 -4.411 1.00 0.00 C ATOM 0 H ALA A 72 -12.826 -0.239 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.953 2.549 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.199 2.530 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.360 1.281 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.683 0.824 -5.097 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.460 1.248 -4.268 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.800 1.587 -4.805 1.00 0.00 C ATOM 1106 C GLY A 73 -17.610 2.259 -3.695 1.00 0.00 C ATOM 1107 O GLY A 73 -18.542 2.995 -3.948 1.00 0.00 O ATOM 0 H GLY A 73 -15.230 0.254 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.707 2.253 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.308 0.687 -5.153 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.260 1.996 -2.461 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.009 2.603 -1.327 1.00 0.00 C ATOM 1113 C GLN A 74 -17.225 3.774 -0.718 1.00 0.00 C ATOM 1114 O GLN A 74 -17.766 4.540 0.052 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.252 1.543 -0.256 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.405 0.630 -0.680 1.00 0.00 C ATOM 1117 CD GLN A 74 -20.735 1.301 -0.332 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -20.797 2.133 0.551 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -21.814 0.964 -0.986 1.00 0.00 N ATOM 0 H GLN A 74 -16.487 1.387 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.960 2.981 -1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.348 0.954 -0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.486 2.021 0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -19.353 0.433 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -19.327 -0.333 -0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.764 0.266 -1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -22.707 1.399 -0.755 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.968 3.943 -1.058 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.220 5.106 -0.484 1.00 0.00 C ATOM 1130 C LEU A 75 -14.518 5.871 -1.596 1.00 0.00 C ATOM 1131 O LEU A 75 -14.610 5.539 -2.761 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.158 4.696 0.561 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.941 3.180 0.616 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.704 2.817 -0.201 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.701 2.745 2.063 1.00 0.00 C ATOM 0 H LEU A 75 -15.440 3.343 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.964 5.724 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.213 5.186 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.465 5.051 1.545 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.823 2.681 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.547 1.739 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.848 3.127 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.833 3.325 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.547 1.666 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.818 3.250 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.567 3.008 2.670 1.00 0.00 H new ATOM 1147 N THR A 76 -13.807 6.895 -1.226 1.00 0.00 N ATOM 1148 CA THR A 76 -13.069 7.711 -2.224 1.00 0.00 C ATOM 1149 C THR A 76 -11.600 7.768 -1.808 1.00 0.00 C ATOM 1150 O THR A 76 -11.263 8.309 -0.776 1.00 0.00 O ATOM 1151 CB THR A 76 -13.656 9.125 -2.255 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.958 9.084 -2.824 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.759 10.045 -3.083 1.00 0.00 C ATOM 0 H THR A 76 -13.705 7.206 -0.260 1.00 0.00 H new ATOM 0 HA THR A 76 -13.156 7.269 -3.217 1.00 0.00 H new ATOM 0 HB THR A 76 -13.716 9.512 -1.238 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.335 9.988 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.184 11.049 -3.100 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.764 10.079 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.688 9.664 -4.102 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.724 7.218 -2.600 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.282 7.244 -2.235 1.00 0.00 C ATOM 1163 C ILE A 77 -8.706 8.609 -2.614 1.00 0.00 C ATOM 1164 O ILE A 77 -8.934 9.108 -3.698 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.543 6.140 -2.996 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.362 4.840 -2.950 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.173 5.904 -2.354 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.427 4.300 -1.518 1.00 0.00 C ATOM 0 H ILE A 77 -10.943 6.753 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.163 7.077 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.411 6.446 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.370 5.024 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.911 4.095 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.648 5.118 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.590 6.824 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.305 5.602 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.010 3.379 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.418 4.096 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.899 5.040 -0.871 1.00 0.00 H new ATOM 1180 N ILE A 78 -7.979 9.226 -1.726 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.413 10.567 -2.036 1.00 0.00 C ATOM 1182 C ILE A 78 -6.035 10.424 -2.674 1.00 0.00 C ATOM 1183 O ILE A 78 -5.251 9.569 -2.314 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.318 11.393 -0.754 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.407 12.466 -0.773 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.943 12.060 -0.654 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.782 11.795 -0.750 1.00 0.00 C ATOM 0 H ILE A 78 -7.753 8.861 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.069 11.076 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.453 10.739 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.298 13.126 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.307 13.085 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.888 12.645 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.167 11.294 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.793 12.716 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.560 12.559 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.888 11.153 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.879 11.195 0.155 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.754 11.255 -3.633 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.442 11.188 -4.333 1.00 0.00 C ATOM 1201 C GLU A 79 -3.518 12.306 -3.840 1.00 0.00 C ATOM 1202 O GLU A 79 -3.962 13.355 -3.420 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.672 11.339 -5.835 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.557 10.191 -6.324 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.756 10.303 -7.835 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.377 11.321 -8.389 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.284 9.367 -8.413 1.00 0.00 O ATOM 0 H GLU A 79 -6.382 11.986 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.971 10.228 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.147 12.297 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.719 11.331 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.097 9.234 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.521 10.221 -5.817 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.233 12.085 -3.898 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.271 13.127 -3.443 1.00 0.00 C ATOM 1217 C GLY A 80 -0.724 12.755 -2.067 1.00 0.00 C ATOM 1218 O GLY A 80 0.339 13.189 -1.672 1.00 0.00 O ATOM 0 H GLY A 80 -1.807 11.224 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.453 13.218 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.765 14.098 -3.399 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.438 11.945 -1.337 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.955 11.539 0.010 1.00 0.00 C ATOM 1224 C PHE A 81 -0.529 10.075 -0.009 1.00 0.00 C ATOM 1225 O PHE A 81 -1.271 9.208 -0.426 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.074 11.707 1.033 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.586 11.202 2.367 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.611 9.831 2.646 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.094 12.101 3.317 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.148 9.358 3.880 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.629 11.629 4.549 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.655 10.259 4.832 1.00 0.00 C ATOM 0 H PHE A 81 -2.335 11.547 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.106 12.168 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.364 12.755 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.959 11.153 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.988 9.137 1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.073 13.159 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.171 8.300 4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.249 12.324 5.283 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.295 9.897 5.784 1.00 0.00 H new ATOM 1242 N LYS A 82 0.648 9.786 0.464 1.00 0.00 N ATOM 1243 CA LYS A 82 1.095 8.371 0.496 1.00 0.00 C ATOM 1244 C LYS A 82 2.175 8.210 1.556 1.00 0.00 C ATOM 1245 O LYS A 82 3.147 8.938 1.590 1.00 0.00 O ATOM 1246 CB LYS A 82 1.659 7.949 -0.855 1.00 0.00 C ATOM 1247 CG LYS A 82 1.409 6.452 -1.048 1.00 0.00 C ATOM 1248 CD LYS A 82 2.002 5.991 -2.381 1.00 0.00 C ATOM 1249 CE LYS A 82 3.514 5.814 -2.243 1.00 0.00 C ATOM 1250 NZ LYS A 82 4.210 6.716 -3.202 1.00 0.00 N ATOM 0 H LYS A 82 1.316 10.465 0.828 1.00 0.00 H new ATOM 0 HA LYS A 82 0.236 7.742 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.185 8.517 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.727 8.162 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.857 5.891 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.339 6.248 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.543 5.051 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.782 6.722 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.826 6.040 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.789 4.777 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.239 6.595 -3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.921 6.480 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.957 7.703 -2.996 1.00 0.00 H new ATOM 1264 N ARG A 83 2.009 7.259 2.416 1.00 0.00 N ATOM 1265 CA ARG A 83 3.017 7.027 3.481 1.00 0.00 C ATOM 1266 C ARG A 83 2.882 5.589 3.968 1.00 0.00 C ATOM 1267 O ARG A 83 1.787 5.087 4.131 1.00 0.00 O ATOM 1268 CB ARG A 83 2.758 7.983 4.646 1.00 0.00 C ATOM 1269 CG ARG A 83 3.874 7.841 5.681 1.00 0.00 C ATOM 1270 CD ARG A 83 3.579 8.750 6.877 1.00 0.00 C ATOM 1271 NE ARG A 83 4.718 8.693 7.834 1.00 0.00 N ATOM 1272 CZ ARG A 83 5.769 9.443 7.642 1.00 0.00 C ATOM 1273 NH1 ARG A 83 5.816 10.247 6.614 1.00 0.00 N ATOM 1274 NH2 ARG A 83 6.769 9.390 8.475 1.00 0.00 N ATOM 0 H ARG A 83 1.211 6.623 2.431 1.00 0.00 H new ATOM 0 HA ARG A 83 4.020 7.200 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.712 9.010 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.793 7.763 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.951 6.804 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.833 8.107 5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.424 9.775 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.659 8.434 7.370 1.00 0.00 H new ATOM 0 HE ARG A 83 4.677 8.068 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.032 10.288 5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.636 10.834 6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.731 8.762 9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.590 9.976 8.324 1.00 0.00 H new ATOM 1288 N GLU A 84 3.970 4.919 4.212 1.00 0.00 N ATOM 1289 CA GLU A 84 3.855 3.521 4.695 1.00 0.00 C ATOM 1290 C GLU A 84 4.485 3.391 6.072 1.00 0.00 C ATOM 1291 O GLU A 84 5.551 3.909 6.336 1.00 0.00 O ATOM 1292 CB GLU A 84 4.541 2.552 3.735 1.00 0.00 C ATOM 1293 CG GLU A 84 5.964 3.018 3.426 1.00 0.00 C ATOM 1294 CD GLU A 84 5.923 4.362 2.697 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.568 5.287 3.162 1.00 0.00 O ATOM 1296 OE2 GLU A 84 5.247 4.443 1.685 1.00 0.00 O ATOM 0 H GLU A 84 4.920 5.273 4.100 1.00 0.00 H new ATOM 0 HA GLU A 84 2.795 3.271 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.566 1.554 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.967 2.480 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.534 3.113 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.474 2.276 2.811 1.00 0.00 H new ATOM 1304 N LEU A 85 3.839 2.683 6.954 1.00 0.00 N ATOM 1305 CA LEU A 85 4.411 2.504 8.306 1.00 0.00 C ATOM 1306 C LEU A 85 5.215 1.212 8.304 1.00 0.00 C ATOM 1307 O LEU A 85 4.692 0.140 8.070 1.00 0.00 O ATOM 1308 CB LEU A 85 3.283 2.421 9.340 1.00 0.00 C ATOM 1309 CG LEU A 85 2.307 3.583 9.129 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.456 3.778 10.386 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.078 4.871 8.832 1.00 0.00 C ATOM 0 H LEU A 85 2.943 2.224 6.794 1.00 0.00 H new ATOM 0 HA LEU A 85 5.052 3.347 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.758 1.470 9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.696 2.458 10.348 1.00 0.00 H new ATOM 0 HG LEU A 85 1.660 3.350 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.763 4.605 10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.893 2.867 10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.104 4.001 11.233 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.374 5.690 8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.734 5.104 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.675 4.738 7.930 1.00 0.00 H new ATOM 1323 N ASN A 86 6.495 1.306 8.537 1.00 0.00 N ATOM 1324 CA ASN A 86 7.337 0.082 8.522 1.00 0.00 C ATOM 1325 C ASN A 86 7.929 -0.151 9.910 1.00 0.00 C ATOM 1326 O ASN A 86 8.600 0.697 10.463 1.00 0.00 O ATOM 1327 CB ASN A 86 8.467 0.268 7.508 1.00 0.00 C ATOM 1328 CG ASN A 86 7.880 0.707 6.163 1.00 0.00 C ATOM 1329 OD1 ASN A 86 6.679 0.815 6.019 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.681 0.966 5.165 1.00 0.00 N ATOM 0 H ASN A 86 6.991 2.175 8.736 1.00 0.00 H new ATOM 0 HA ASN A 86 6.729 -0.779 8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.175 1.014 7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.020 -0.664 7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.298 1.259 4.266 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.690 0.876 5.284 1.00 0.00 H new ATOM 1337 N TYR A 87 7.687 -1.300 10.475 1.00 0.00 N ATOM 1338 CA TYR A 87 8.233 -1.597 11.823 1.00 0.00 C ATOM 1339 C TYR A 87 8.101 -3.091 12.102 1.00 0.00 C ATOM 1340 O TYR A 87 7.262 -3.766 11.542 1.00 0.00 O ATOM 1341 CB TYR A 87 7.459 -0.811 12.878 1.00 0.00 C ATOM 1342 CG TYR A 87 5.983 -1.114 12.750 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.441 -2.237 13.387 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.159 -0.274 11.991 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.074 -2.519 13.264 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.794 -0.555 11.869 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.250 -1.676 12.507 1.00 0.00 C ATOM 1348 OH TYR A 87 1.903 -1.953 12.388 1.00 0.00 O ATOM 0 H TYR A 87 7.132 -2.047 10.058 1.00 0.00 H new ATOM 0 HA TYR A 87 9.283 -1.308 11.860 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.810 -1.076 13.875 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.634 0.257 12.752 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.076 -2.885 13.973 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.578 0.592 11.499 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.656 -3.386 13.753 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.160 0.093 11.282 1.00 0.00 H new ATOM 0 HH TYR A 87 1.476 -1.269 11.830 1.00 0.00 H new ATOM 1444 N PRO A 93 9.307 -7.249 10.178 1.00 0.00 N ATOM 1445 CA PRO A 93 9.043 -5.857 9.704 1.00 0.00 C ATOM 1446 C PRO A 93 7.996 -5.811 8.605 1.00 0.00 C ATOM 1447 O PRO A 93 8.127 -6.458 7.590 1.00 0.00 O ATOM 1448 CB PRO A 93 10.387 -5.401 9.162 1.00 0.00 C ATOM 1449 CG PRO A 93 11.059 -6.654 8.721 1.00 0.00 C ATOM 1450 CD PRO A 93 10.578 -7.761 9.653 1.00 0.00 C ATOM 0 HA PRO A 93 8.653 -5.227 10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.264 -4.704 8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.969 -4.887 9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.808 -6.884 7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.143 -6.550 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.441 -8.702 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.294 -7.950 10.453 1.00 0.00 H new ATOM 1458 N LYS A 94 6.968 -5.045 8.795 1.00 0.00 N ATOM 1459 CA LYS A 94 5.906 -4.964 7.755 1.00 0.00 C ATOM 1460 C LYS A 94 5.806 -3.554 7.191 1.00 0.00 C ATOM 1461 O LYS A 94 5.562 -2.606 7.908 1.00 0.00 O ATOM 1462 CB LYS A 94 4.551 -5.322 8.373 1.00 0.00 C ATOM 1463 CG LYS A 94 4.577 -6.758 8.896 1.00 0.00 C ATOM 1464 CD LYS A 94 3.249 -7.081 9.587 1.00 0.00 C ATOM 1465 CE LYS A 94 2.138 -7.215 8.541 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.861 -8.658 8.294 1.00 0.00 N ATOM 0 H LYS A 94 6.813 -4.470 9.623 1.00 0.00 H new ATOM 0 HA LYS A 94 6.164 -5.660 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.320 -4.634 9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.762 -5.212 7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.748 -7.452 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.403 -6.885 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.340 -8.007 10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.998 -6.294 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.234 -6.714 8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.436 -6.727 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.905 -8.765 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.558 -9.035 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.926 -9.182 9.190 1.00 0.00 H new ATOM 1480 N THR A 95 5.931 -3.414 5.903 1.00 0.00 N ATOM 1481 CA THR A 95 5.776 -2.067 5.306 1.00 0.00 C ATOM 1482 C THR A 95 4.298 -1.895 4.992 1.00 0.00 C ATOM 1483 O THR A 95 3.727 -2.637 4.217 1.00 0.00 O ATOM 1484 CB THR A 95 6.598 -1.947 4.020 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.969 -1.792 4.357 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.122 -0.729 3.221 1.00 0.00 C ATOM 0 H THR A 95 6.132 -4.167 5.245 1.00 0.00 H new ATOM 0 HA THR A 95 6.129 -1.299 5.994 1.00 0.00 H new ATOM 0 HB THR A 95 6.470 -2.845 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.501 -1.716 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.707 -0.643 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.068 -0.849 2.969 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.252 0.172 3.820 1.00 0.00 H new ATOM 1494 N VAL A 96 3.663 -0.944 5.603 1.00 0.00 N ATOM 1495 CA VAL A 96 2.214 -0.754 5.355 1.00 0.00 C ATOM 1496 C VAL A 96 1.992 0.567 4.634 1.00 0.00 C ATOM 1497 O VAL A 96 2.363 1.609 5.119 1.00 0.00 O ATOM 1498 CB VAL A 96 1.485 -0.740 6.702 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.012 -0.523 6.474 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.702 -2.084 7.409 1.00 0.00 C ATOM 0 H VAL A 96 4.083 -0.290 6.263 1.00 0.00 H new ATOM 0 HA VAL A 96 1.829 -1.564 4.736 1.00 0.00 H new ATOM 0 HB VAL A 96 1.878 0.068 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.529 -0.513 7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.169 0.430 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.407 -1.330 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.185 -2.078 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.308 -2.889 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.768 -2.241 7.573 1.00 0.00 H new ATOM 1510 N ILE A 97 1.373 0.527 3.487 1.00 0.00 N ATOM 1511 CA ILE A 97 1.109 1.784 2.735 1.00 0.00 C ATOM 1512 C ILE A 97 -0.330 2.203 3.008 1.00 0.00 C ATOM 1513 O ILE A 97 -1.249 1.420 2.859 1.00 0.00 O ATOM 1514 CB ILE A 97 1.316 1.535 1.238 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.733 0.982 1.008 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.132 2.842 0.465 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.665 2.087 0.490 1.00 0.00 C ATOM 0 H ILE A 97 1.038 -0.325 3.037 1.00 0.00 H new ATOM 0 HA ILE A 97 1.791 2.574 3.051 1.00 0.00 H new ATOM 0 HB ILE A 97 0.583 0.811 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.126 0.574 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.698 0.162 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.280 2.659 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.125 3.224 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.860 3.576 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.663 1.677 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.280 2.476 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.715 2.894 1.222 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.537 3.417 3.440 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.924 3.854 3.753 1.00 0.00 C ATOM 1531 C TYR A 98 -2.381 4.972 2.822 1.00 0.00 C ATOM 1532 O TYR A 98 -1.716 5.974 2.651 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.980 4.392 5.183 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.952 3.262 6.184 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -2.973 2.301 6.194 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.911 3.184 7.113 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -2.945 1.264 7.135 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.886 2.150 8.056 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.903 1.189 8.066 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.880 0.168 8.994 1.00 0.00 O ATOM 0 H TYR A 98 0.188 4.119 3.588 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.576 2.989 3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.136 5.060 5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.887 4.982 5.319 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.779 2.360 5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.124 3.923 7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.729 0.521 7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.082 2.094 8.775 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.089 0.262 9.565 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.549 4.820 2.270 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.120 5.877 1.398 1.00 0.00 C ATOM 1552 C TRP A 99 -5.328 6.453 2.135 1.00 0.00 C ATOM 1553 O TRP A 99 -6.073 5.730 2.765 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.568 5.280 0.064 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.409 5.187 -0.874 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.933 6.209 -1.623 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.583 4.030 -1.191 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.868 5.752 -2.377 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.614 4.415 -2.146 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.582 2.696 -0.744 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.675 3.506 -2.641 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.639 1.781 -1.240 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.688 2.186 -2.188 1.00 0.00 C ATOM 0 H TRP A 99 -4.140 3.997 2.388 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.378 6.647 1.189 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -4.995 4.290 0.225 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.352 5.898 -0.375 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.322 7.217 -1.630 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.335 6.332 -3.025 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.311 2.374 -0.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.056 3.823 -3.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.646 0.760 -0.889 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.033 1.477 -2.567 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.539 7.733 2.082 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.709 8.292 2.809 1.00 0.00 C ATOM 1576 C LEU A 100 -7.976 7.946 2.029 1.00 0.00 C ATOM 1577 O LEU A 100 -8.013 8.042 0.816 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.562 9.809 2.933 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.080 10.185 2.870 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.908 11.654 3.258 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.280 9.315 3.841 1.00 0.00 C ATOM 0 H LEU A 100 -4.965 8.408 1.577 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.768 7.867 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.108 10.305 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.995 10.151 3.873 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.716 10.025 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.852 11.921 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.471 12.281 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.278 11.808 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.226 9.588 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.647 9.470 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.396 8.266 3.570 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.005 7.518 2.707 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.256 7.141 1.991 1.00 0.00 C ATOM 1595 C ALA A 101 -11.471 7.747 2.694 1.00 0.00 C ATOM 1596 O ALA A 101 -11.457 8.000 3.883 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.393 5.618 1.978 1.00 0.00 C ATOM 0 H ALA A 101 -9.034 7.413 3.721 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.207 7.521 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.308 5.339 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.535 5.180 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.434 5.248 3.002 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.524 7.974 1.961 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.754 8.559 2.565 1.00 0.00 C ATOM 1605 C GLU A 102 -14.954 7.675 2.218 1.00 0.00 C ATOM 1606 O GLU A 102 -15.270 7.486 1.062 1.00 0.00 O ATOM 1607 CB GLU A 102 -13.972 9.959 1.979 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.208 10.602 2.608 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.534 11.906 1.878 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -16.592 12.455 2.131 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -14.717 12.333 1.078 1.00 0.00 O ATOM 0 H GLU A 102 -12.586 7.778 0.962 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.646 8.620 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.095 10.580 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.096 9.895 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.055 9.919 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.030 10.800 3.665 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.636 7.139 3.197 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.812 6.284 2.876 1.00 0.00 C ATOM 1621 C VAL A 103 -18.004 7.184 2.542 1.00 0.00 C ATOM 1622 O VAL A 103 -18.285 8.153 3.218 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.126 5.343 4.045 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.834 4.694 4.510 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.742 6.109 5.212 1.00 0.00 C ATOM 0 H VAL A 103 -15.432 7.255 4.190 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.591 5.659 2.011 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.839 4.590 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.043 4.022 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.395 4.129 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.135 5.465 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.955 5.419 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.044 6.872 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.668 6.584 4.887 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.664 6.888 1.463 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.807 7.727 1.001 1.00 0.00 C ATOM 1637 C LYS A 104 -20.930 7.805 2.042 1.00 0.00 C ATOM 1638 O LYS A 104 -21.530 8.846 2.231 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.373 7.083 -0.259 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.257 6.921 -1.290 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.787 6.122 -2.477 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.624 5.730 -3.391 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.160 5.158 -4.659 1.00 0.00 N ATOM 0 H LYS A 104 -18.458 6.085 0.868 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.442 8.739 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.807 6.112 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.174 7.699 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.906 7.898 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.404 6.410 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.304 5.229 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.515 6.714 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -18.006 6.602 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.985 5.001 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -19.083 4.121 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -20.158 5.429 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.613 5.525 -5.464 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.259 6.718 2.682 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.393 6.759 3.658 1.00 0.00 C ATOM 1659 C ASP A 105 -21.902 6.828 5.098 1.00 0.00 C ATOM 1660 O ASP A 105 -20.981 6.147 5.491 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.246 5.505 3.485 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.729 5.884 3.482 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.087 6.807 4.197 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.481 5.243 2.768 1.00 0.00 O ATOM 0 H ASP A 105 -20.801 5.813 2.577 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.976 7.658 3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.987 5.004 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.043 4.801 4.292 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.552 7.630 5.895 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.177 7.731 7.330 1.00 0.00 C ATOM 1672 C TYR A 106 -22.508 6.406 8.007 1.00 0.00 C ATOM 1673 O TYR A 106 -21.744 5.879 8.793 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.976 8.855 7.993 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.795 8.792 9.491 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.520 8.929 10.054 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.906 8.596 10.319 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -21.356 8.874 11.443 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -23.743 8.539 11.710 1.00 0.00 C ATOM 1680 CZ TYR A 106 -22.467 8.678 12.271 1.00 0.00 C ATOM 1681 OH TYR A 106 -22.309 8.623 13.642 1.00 0.00 O ATOM 0 H TYR A 106 -23.332 8.223 5.610 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.113 7.948 7.424 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.643 9.822 7.617 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.032 8.762 7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.662 9.077 9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.890 8.489 9.886 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.372 8.983 11.876 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -24.601 8.388 12.349 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.181 8.483 14.066 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.648 5.858 7.689 1.00 0.00 N ATOM 1692 CA ASP A 107 -24.049 4.560 8.284 1.00 0.00 C ATOM 1693 C ASP A 107 -23.592 3.438 7.355 1.00 0.00 C ATOM 1694 O ASP A 107 -24.048 2.316 7.445 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.574 4.516 8.448 1.00 0.00 C ATOM 1696 CG ASP A 107 -26.252 4.547 7.076 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -27.451 4.768 7.036 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -25.561 4.354 6.089 1.00 0.00 O ATOM 0 H ASP A 107 -24.322 6.260 7.037 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.588 4.439 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.864 3.613 8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.908 5.364 9.046 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.689 3.741 6.457 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.195 2.699 5.518 1.00 0.00 C ATOM 1706 C VAL A 108 -22.049 1.386 6.284 1.00 0.00 C ATOM 1707 O VAL A 108 -21.728 1.375 7.457 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.839 3.132 4.954 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.905 3.492 6.106 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.222 1.996 4.137 1.00 0.00 C ATOM 0 H VAL A 108 -22.275 4.665 6.337 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.895 2.566 4.693 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.981 3.998 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.938 3.801 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.337 4.309 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.771 2.623 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.258 2.315 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.081 1.124 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.886 1.739 3.312 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.303 0.284 5.643 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.199 -1.016 6.348 1.00 0.00 C ATOM 1722 C GLU A 109 -20.761 -1.270 6.778 1.00 0.00 C ATOM 1723 O GLU A 109 -19.815 -0.910 6.108 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.664 -2.150 5.432 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.479 -3.051 5.076 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.925 -4.105 4.058 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -23.122 -4.253 3.873 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -21.062 -4.743 3.480 1.00 0.00 O ATOM 0 H GLU A 109 -22.578 0.228 4.662 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.836 -0.981 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.440 -2.734 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.105 -1.738 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.666 -2.454 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.095 -3.536 5.973 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.611 -1.912 7.890 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.255 -2.246 8.406 1.00 0.00 C ATOM 1738 C ILE A 110 -19.149 -3.759 8.579 1.00 0.00 C ATOM 1739 O ILE A 110 -19.715 -4.331 9.490 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.029 -1.551 9.750 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.944 -0.037 9.532 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.731 -2.058 10.385 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.764 0.290 8.611 1.00 0.00 C ATOM 0 H ILE A 110 -21.381 -2.228 8.479 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.497 -1.905 7.701 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.861 -1.774 10.418 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.872 0.329 9.093 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.822 0.471 10.489 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.575 -1.560 11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.800 -3.134 10.543 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.893 -1.841 9.722 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.709 1.368 8.460 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.838 -0.060 9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.905 -0.205 7.650 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.424 -4.413 7.715 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.282 -5.889 7.839 1.00 0.00 C ATOM 1757 C ARG A 111 -16.918 -6.211 8.423 1.00 0.00 C ATOM 1758 O ARG A 111 -15.891 -6.004 7.807 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.439 -6.543 6.466 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.903 -6.443 6.050 1.00 0.00 C ATOM 1761 CD ARG A 111 -20.105 -7.067 4.668 1.00 0.00 C ATOM 1762 NE ARG A 111 -19.322 -6.306 3.653 1.00 0.00 N ATOM 1763 CZ ARG A 111 -19.076 -6.835 2.485 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -19.503 -8.036 2.211 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -18.404 -6.162 1.591 1.00 0.00 N ATOM 0 H ARG A 111 -17.926 -3.991 6.932 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.057 -6.279 8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.802 -6.046 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.126 -7.586 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.532 -6.951 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.213 -5.398 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -19.787 -8.110 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.163 -7.059 4.406 1.00 0.00 H new ATOM 0 HE ARG A 111 -18.978 -5.371 3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.029 -8.562 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -19.311 -8.450 1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -18.071 -5.222 1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -18.212 -6.576 0.679 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.912 -6.698 9.624 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.625 -7.024 10.289 1.00 0.00 C ATOM 1781 C LEU A 112 -15.306 -8.503 10.101 1.00 0.00 C ATOM 1782 O LEU A 112 -16.175 -9.352 10.136 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.741 -6.721 11.784 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.335 -5.326 11.984 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.149 -4.896 13.440 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.640 -4.325 11.054 1.00 0.00 C ATOM 0 H LEU A 112 -17.747 -6.886 10.179 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.829 -6.424 9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.371 -7.467 12.268 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.759 -6.779 12.254 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.399 -5.350 11.747 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.572 -3.902 13.583 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.656 -5.604 14.096 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.086 -4.876 13.680 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.068 -3.333 11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.574 -4.298 11.280 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.783 -4.631 10.018 1.00 0.00 H new ATOM 1798 N SER A 113 -14.057 -8.818 9.916 1.00 0.00 N ATOM 1799 CA SER A 113 -13.667 -10.241 9.743 1.00 0.00 C ATOM 1800 C SER A 113 -13.320 -10.819 11.114 1.00 0.00 C ATOM 1801 O SER A 113 -13.168 -10.097 12.080 1.00 0.00 O ATOM 1802 CB SER A 113 -12.449 -10.330 8.824 1.00 0.00 C ATOM 1803 OG SER A 113 -12.791 -9.825 7.539 1.00 0.00 O ATOM 0 H SER A 113 -13.288 -8.149 9.877 1.00 0.00 H new ATOM 0 HA SER A 113 -14.488 -10.803 9.298 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.621 -9.759 9.243 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.115 -11.364 8.744 1.00 0.00 H new ATOM 0 HG SER A 113 -13.395 -9.060 7.638 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.192 -12.111 11.216 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.856 -12.713 12.534 1.00 0.00 C ATOM 1811 C HIS A 114 -11.692 -11.942 13.156 1.00 0.00 C ATOM 1812 O HIS A 114 -11.594 -11.811 14.360 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.468 -14.179 12.342 1.00 0.00 C ATOM 1814 CG HIS A 114 -13.650 -14.937 11.806 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -13.590 -15.663 10.623 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -14.933 -15.089 12.274 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -14.801 -16.216 10.424 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -15.652 -15.897 11.401 1.00 0.00 N ATOM 0 H HIS A 114 -13.305 -12.773 10.448 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.720 -12.658 13.196 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.627 -14.258 11.653 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.144 -14.609 13.290 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -15.322 -14.649 13.180 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -15.052 -16.840 9.579 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -16.626 -16.186 11.489 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.808 -11.426 12.346 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.654 -10.656 12.890 1.00 0.00 C ATOM 1829 C GLU A 115 -10.169 -9.454 13.692 1.00 0.00 C ATOM 1830 O GLU A 115 -9.581 -9.060 14.679 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.783 -10.156 11.737 1.00 0.00 C ATOM 1832 CG GLU A 115 -7.532 -9.485 12.303 1.00 0.00 C ATOM 1833 CD GLU A 115 -6.724 -8.864 11.162 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -7.181 -8.929 10.033 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -5.660 -8.334 11.439 1.00 0.00 O ATOM 0 H GLU A 115 -10.836 -11.505 11.329 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.065 -11.303 13.540 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.503 -10.988 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.342 -9.450 11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.813 -8.717 13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.925 -10.216 12.837 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.261 -8.872 13.273 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.815 -7.695 14.006 1.00 0.00 C ATOM 1845 C HIS A 116 -13.183 -8.060 14.592 1.00 0.00 C ATOM 1846 O HIS A 116 -13.950 -8.784 13.987 1.00 0.00 O ATOM 1847 CB HIS A 116 -11.974 -6.518 13.043 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.617 -6.046 12.598 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.178 -6.190 11.289 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -9.590 -5.436 13.274 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.936 -5.678 11.221 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.533 -5.207 12.402 1.00 0.00 N ATOM 0 H HIS A 116 -11.795 -9.161 12.453 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.134 -7.416 14.810 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.567 -6.819 12.179 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.511 -5.705 13.531 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -9.602 -5.174 14.322 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.339 -5.652 10.321 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.637 -4.770 12.619 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.495 -7.571 15.766 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.813 -7.905 16.382 1.00 0.00 C ATOM 1863 C GLN A 117 -15.681 -6.646 16.504 1.00 0.00 C ATOM 1864 O GLN A 117 -16.893 -6.726 16.535 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.593 -8.505 17.775 1.00 0.00 C ATOM 1866 CG GLN A 117 -13.964 -7.457 18.695 1.00 0.00 C ATOM 1867 CD GLN A 117 -13.763 -8.053 20.090 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -12.781 -8.719 20.346 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -14.662 -7.840 21.013 1.00 0.00 N ATOM 0 H GLN A 117 -12.897 -6.959 16.321 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.323 -8.628 15.745 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.542 -8.844 18.190 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.945 -9.379 17.707 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.008 -7.128 18.288 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.605 -6.578 18.753 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -15.488 -7.281 20.801 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.538 -8.233 21.946 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.083 -5.486 16.584 1.00 0.00 N ATOM 1879 CA ALA A 118 -15.903 -4.245 16.717 1.00 0.00 C ATOM 1880 C ALA A 118 -15.165 -3.052 16.100 1.00 0.00 C ATOM 1881 O ALA A 118 -13.959 -3.059 15.953 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.167 -3.969 18.198 1.00 0.00 C ATOM 0 H ALA A 118 -14.073 -5.344 16.563 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.848 -4.386 16.192 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.765 -3.064 18.298 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.706 -4.810 18.635 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.218 -3.836 18.718 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.891 -2.025 15.745 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.253 -0.820 15.140 1.00 0.00 C ATOM 1890 C TYR A 119 -15.864 0.442 15.752 1.00 0.00 C ATOM 1891 O TYR A 119 -16.948 0.414 16.300 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.502 -0.818 13.632 1.00 0.00 C ATOM 1893 CG TYR A 119 -16.970 -0.587 13.368 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.858 -1.665 13.394 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.442 0.703 13.106 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.219 -1.457 13.153 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.805 0.912 12.865 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.695 -0.169 12.888 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.038 0.037 12.650 1.00 0.00 O ATOM 0 H TYR A 119 -16.904 -1.969 15.849 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.181 -0.840 15.336 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.908 -0.038 13.155 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.188 -1.768 13.199 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.493 -2.660 13.601 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.756 1.537 13.090 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -19.904 -2.292 13.171 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.170 1.908 12.661 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.199 0.990 12.485 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.181 1.551 15.660 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.730 2.813 16.234 1.00 0.00 C ATOM 1911 C ARG A 120 -15.458 3.983 15.291 1.00 0.00 C ATOM 1912 O ARG A 120 -14.463 4.016 14.593 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.062 3.112 17.576 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.432 2.042 18.601 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.852 2.435 19.962 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.023 1.311 20.924 1.00 0.00 N ATOM 1917 CZ ARG A 120 -14.494 1.386 22.114 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -13.817 2.447 22.463 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -14.642 0.402 22.956 1.00 0.00 N ATOM 0 H ARG A 120 -14.268 1.638 15.213 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.804 2.687 16.370 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.980 3.148 17.452 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.374 4.093 17.935 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.515 1.943 18.668 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.042 1.073 18.291 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.795 2.682 19.860 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.353 3.327 20.338 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.553 0.483 20.653 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -13.702 3.218 21.805 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -13.404 2.505 23.394 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.171 -0.426 22.684 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.228 0.460 23.887 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.318 4.961 15.299 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.104 6.158 14.439 1.00 0.00 C ATOM 1935 C TRP A 121 -15.748 7.329 15.349 1.00 0.00 C ATOM 1936 O TRP A 121 -16.577 7.830 16.082 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.380 6.471 13.658 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.448 5.582 12.459 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.136 4.420 12.392 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.815 5.762 11.161 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.965 3.872 11.131 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.158 4.665 10.337 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.984 6.761 10.624 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.692 4.564 9.023 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.513 6.663 9.306 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.869 5.566 8.509 1.00 0.00 C ATOM 0 H TRP A 121 -17.165 4.984 15.867 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.301 5.976 13.725 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.255 6.318 14.290 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.387 7.517 13.352 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.722 3.990 13.190 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.383 2.993 10.826 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.706 7.610 11.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.967 3.718 8.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.874 7.435 8.904 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.505 5.497 7.495 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.514 7.749 15.339 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.106 8.865 16.236 1.00 0.00 C ATOM 1959 C LEU A 122 -13.339 9.925 15.449 1.00 0.00 C ATOM 1960 O LEU A 122 -12.999 9.742 14.298 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.208 8.328 17.356 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.498 6.840 17.609 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.346 5.993 17.068 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.651 6.595 19.114 1.00 0.00 C ATOM 0 H LEU A 122 -13.773 7.369 14.750 1.00 0.00 H new ATOM 0 HA LEU A 122 -15.004 9.312 16.663 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.160 8.460 17.085 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.375 8.898 18.270 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.421 6.561 17.101 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.554 4.938 17.249 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.241 6.164 15.997 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.421 6.272 17.573 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.857 5.539 19.292 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.730 6.876 19.624 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.476 7.195 19.498 1.00 0.00 H new ATOM 1976 N GLY A 123 -13.059 11.038 16.075 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.308 12.118 15.381 1.00 0.00 C ATOM 1978 C GLY A 123 -10.812 11.815 15.449 1.00 0.00 C ATOM 1979 O GLY A 123 -10.399 10.795 15.967 1.00 0.00 O ATOM 0 H GLY A 123 -13.320 11.243 17.039 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.629 12.191 14.342 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.518 13.081 15.848 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.998 12.684 14.925 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.530 12.436 14.953 1.00 0.00 C ATOM 1985 C LEU A 124 -8.044 12.294 16.397 1.00 0.00 C ATOM 1986 O LEU A 124 -7.213 11.464 16.698 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.810 13.608 14.285 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.295 13.390 14.333 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.957 11.971 13.871 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.620 14.391 13.396 1.00 0.00 C ATOM 0 H LEU A 124 -10.284 13.555 14.478 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.313 11.512 14.417 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.139 13.705 13.250 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -8.068 14.539 14.790 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.942 13.530 15.355 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.878 11.824 13.908 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.444 11.249 14.526 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.308 11.828 12.849 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.540 14.244 13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.982 14.238 12.379 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.856 15.406 13.717 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.548 13.099 17.292 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.099 13.009 18.714 1.00 0.00 C ATOM 2004 C GLU A 125 -8.334 11.595 19.252 1.00 0.00 C ATOM 2005 O GLU A 125 -7.428 10.953 19.747 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.886 14.013 19.561 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.369 13.626 19.579 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.175 14.725 20.268 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.565 15.654 20.771 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -12.391 14.621 20.280 1.00 0.00 O ATOM 0 H GLU A 125 -9.250 13.814 17.102 1.00 0.00 H new ATOM 0 HA GLU A 125 -7.034 13.237 18.766 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.493 14.032 20.578 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.768 15.017 19.155 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.730 13.480 18.561 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.502 12.680 20.103 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.536 11.102 19.161 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.813 9.731 19.667 1.00 0.00 C ATOM 2020 C GLU A 126 -9.152 8.719 18.744 1.00 0.00 C ATOM 2021 O GLU A 126 -8.469 7.817 19.180 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.318 9.493 19.685 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.861 9.641 21.108 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.253 10.871 21.785 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.841 11.934 21.677 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.215 10.726 22.412 1.00 0.00 O ATOM 0 H GLU A 126 -10.337 11.588 18.759 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.417 9.623 20.677 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.814 10.204 19.023 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.540 8.496 19.305 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.947 9.732 21.082 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.629 8.747 21.687 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.323 8.867 17.466 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.669 7.910 16.546 1.00 0.00 C ATOM 2036 C ALA A 127 -7.194 7.861 16.924 1.00 0.00 C ATOM 2037 O ALA A 127 -6.552 6.835 16.861 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.829 8.397 15.109 1.00 0.00 C ATOM 0 H ALA A 127 -9.879 9.599 17.024 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.116 6.919 16.622 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.348 7.693 14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.889 8.469 14.865 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.365 9.378 15.003 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.663 8.973 17.354 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.242 9.010 17.780 1.00 0.00 C ATOM 2046 C CYS A 128 -5.126 8.371 19.165 1.00 0.00 C ATOM 2047 O CYS A 128 -4.192 7.647 19.450 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.772 10.466 17.841 1.00 0.00 C ATOM 2049 SG CYS A 128 -4.079 10.944 16.240 1.00 0.00 S ATOM 0 H CYS A 128 -7.159 9.861 17.428 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.622 8.462 17.070 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.607 11.118 18.097 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.023 10.585 18.624 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.682 12.181 16.291 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.070 8.632 20.032 1.00 0.00 N ATOM 2056 CA GLN A 129 -6.010 8.039 21.397 1.00 0.00 C ATOM 2057 C GLN A 129 -6.100 6.514 21.301 1.00 0.00 C ATOM 2058 O GLN A 129 -5.320 5.801 21.901 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.155 8.601 22.253 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.395 7.704 22.184 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.215 6.496 23.104 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.135 6.253 23.606 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.240 5.730 23.358 1.00 0.00 N ATOM 0 H GLN A 129 -6.877 9.229 19.852 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.063 8.299 21.870 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.827 8.692 23.288 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.410 9.604 21.910 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.280 8.268 22.479 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.557 7.371 21.159 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.146 5.934 22.937 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.135 4.927 23.978 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.028 6.008 20.542 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.144 4.529 20.402 1.00 0.00 C ATOM 2074 C LEU A 130 -5.922 4.014 19.654 1.00 0.00 C ATOM 2075 O LEU A 130 -5.284 3.063 20.061 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.397 4.189 19.605 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.632 4.589 20.404 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.694 5.125 19.452 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.184 3.365 21.133 1.00 0.00 C ATOM 0 H LEU A 130 -7.710 6.551 20.013 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.206 4.067 21.388 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.385 4.711 18.648 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.423 3.122 19.385 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.364 5.357 21.129 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.579 5.412 20.019 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.303 5.995 18.924 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.960 4.352 18.731 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.067 3.650 21.705 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.454 2.599 20.406 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.425 2.971 21.809 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.579 4.651 18.571 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.386 4.215 17.811 1.00 0.00 C ATOM 2093 C ALA A 131 -3.156 4.665 18.590 1.00 0.00 C ATOM 2094 O ALA A 131 -2.269 5.314 18.072 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.397 4.850 16.422 1.00 0.00 C ATOM 0 H ALA A 131 -6.075 5.453 18.183 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.379 3.132 17.687 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.517 4.526 15.867 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.296 4.542 15.888 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.386 5.936 16.518 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.121 4.317 19.847 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.982 4.712 20.721 1.00 0.00 C ATOM 2103 C GLN A 132 -0.678 4.649 19.936 1.00 0.00 C ATOM 2104 O GLN A 132 0.203 5.466 20.116 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.900 3.739 21.893 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.131 2.316 21.379 1.00 0.00 C ATOM 2107 CD GLN A 132 -1.083 1.381 21.983 1.00 0.00 C ATOM 2108 OE1 GLN A 132 0.158 1.774 22.059 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -1.398 0.279 22.388 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.844 3.768 20.311 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.138 5.729 21.081 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.925 3.811 22.374 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.647 3.993 22.646 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.132 1.979 21.647 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.068 2.296 20.291 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.369 -0.028 22.328 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -0.691 -0.339 22.788 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.543 3.692 19.065 1.00 0.00 N ATOM 2119 CA PHE A 133 0.713 3.597 18.282 1.00 0.00 C ATOM 2120 C PHE A 133 0.971 4.951 17.614 1.00 0.00 C ATOM 2121 O PHE A 133 0.147 5.463 16.880 1.00 0.00 O ATOM 2122 CB PHE A 133 0.569 2.512 17.211 1.00 0.00 C ATOM 2123 CG PHE A 133 0.032 1.237 17.832 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.329 0.912 19.163 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -0.770 0.379 17.066 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.174 -0.268 19.723 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.273 -0.799 17.630 1.00 0.00 C ATOM 2128 CZ PHE A 133 -0.975 -1.122 18.959 1.00 0.00 C ATOM 0 H PHE A 133 -1.242 2.978 18.863 1.00 0.00 H new ATOM 0 HA PHE A 133 1.545 3.339 18.937 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.103 2.854 16.424 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.535 2.320 16.744 1.00 0.00 H new ATOM 0 HD1 PHE A 133 0.945 1.572 19.756 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.000 0.627 16.040 1.00 0.00 H new ATOM 0 HE1 PHE A 133 0.057 -0.519 20.748 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.891 -1.459 17.040 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.364 -2.031 19.394 1.00 0.00 H new ATOM 2138 N LYS A 134 2.109 5.533 17.873 1.00 0.00 N ATOM 2139 CA LYS A 134 2.437 6.860 17.275 1.00 0.00 C ATOM 2140 C LYS A 134 2.362 6.782 15.751 1.00 0.00 C ATOM 2141 O LYS A 134 1.958 7.716 15.091 1.00 0.00 O ATOM 2142 CB LYS A 134 3.857 7.250 17.689 1.00 0.00 C ATOM 2143 CG LYS A 134 4.209 8.616 17.100 1.00 0.00 C ATOM 2144 CD LYS A 134 5.647 8.976 17.480 1.00 0.00 C ATOM 2145 CE LYS A 134 5.966 10.394 17.002 1.00 0.00 C ATOM 2146 NZ LYS A 134 6.613 10.332 15.661 1.00 0.00 N ATOM 0 H LYS A 134 2.832 5.144 18.478 1.00 0.00 H new ATOM 0 HA LYS A 134 1.722 7.603 17.628 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.934 7.281 18.776 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.567 6.499 17.341 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.102 8.596 16.015 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.521 9.374 17.474 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.776 8.908 18.560 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.341 8.266 17.031 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.052 10.986 16.950 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.626 10.889 17.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 6.830 11.296 15.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.493 9.782 15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.968 9.875 14.985 1.00 0.00 H new ATOM 2160 N GLU A 135 2.762 5.680 15.193 1.00 0.00 N ATOM 2161 CA GLU A 135 2.731 5.540 13.713 1.00 0.00 C ATOM 2162 C GLU A 135 1.321 5.820 13.204 1.00 0.00 C ATOM 2163 O GLU A 135 1.124 6.532 12.239 1.00 0.00 O ATOM 2164 CB GLU A 135 3.084 4.103 13.347 1.00 0.00 C ATOM 2165 CG GLU A 135 4.233 3.622 14.230 1.00 0.00 C ATOM 2166 CD GLU A 135 4.577 2.178 13.873 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.856 1.603 13.076 1.00 0.00 O ATOM 2168 OE2 GLU A 135 5.553 1.671 14.403 1.00 0.00 O ATOM 0 H GLU A 135 3.111 4.866 15.698 1.00 0.00 H new ATOM 0 HA GLU A 135 3.439 6.240 13.269 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.215 3.459 13.479 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.368 4.043 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.105 4.260 14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.952 3.691 15.281 1.00 0.00 H new ATOM 2176 N MET A 136 0.341 5.246 13.840 1.00 0.00 N ATOM 2177 CA MET A 136 -1.058 5.453 13.391 1.00 0.00 C ATOM 2178 C MET A 136 -1.520 6.851 13.783 1.00 0.00 C ATOM 2179 O MET A 136 -2.088 7.568 12.984 1.00 0.00 O ATOM 2180 CB MET A 136 -1.937 4.397 14.047 1.00 0.00 C ATOM 2181 CG MET A 136 -1.364 3.011 13.738 1.00 0.00 C ATOM 2182 SD MET A 136 -1.043 2.854 11.963 1.00 0.00 S ATOM 2183 CE MET A 136 -2.690 3.314 11.373 1.00 0.00 C ATOM 0 H MET A 136 0.451 4.641 14.654 1.00 0.00 H new ATOM 0 HA MET A 136 -1.126 5.361 12.307 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.977 4.556 15.125 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.959 4.474 13.675 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.441 2.857 14.298 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.064 2.239 14.059 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.888 2.818 10.422 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.437 3.007 12.105 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.739 4.394 11.236 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.257 7.265 14.990 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.663 8.635 15.378 1.00 0.00 C ATOM 2195 C LYS A 137 -1.021 9.580 14.376 1.00 0.00 C ATOM 2196 O LYS A 137 -1.602 10.565 13.970 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.175 8.946 16.794 1.00 0.00 C ATOM 2198 CG LYS A 137 -2.091 8.247 17.802 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.263 7.558 18.885 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.560 8.593 19.765 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.581 9.925 19.098 1.00 0.00 N ATOM 0 H LYS A 137 -0.785 6.721 15.712 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.748 8.742 15.373 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.147 8.606 16.921 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.179 10.022 16.965 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.764 8.974 18.257 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.714 7.514 17.290 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.908 6.929 19.499 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.524 6.903 18.424 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.054 8.654 20.735 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.469 8.286 19.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -0.102 10.623 19.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -0.090 9.863 18.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.566 10.220 18.943 1.00 0.00 H new ATOM 2215 N ALA A 138 0.168 9.251 13.946 1.00 0.00 N ATOM 2216 CA ALA A 138 0.855 10.086 12.932 1.00 0.00 C ATOM 2217 C ALA A 138 0.200 9.831 11.573 1.00 0.00 C ATOM 2218 O ALA A 138 -0.111 10.746 10.838 1.00 0.00 O ATOM 2219 CB ALA A 138 2.327 9.702 12.864 1.00 0.00 C ATOM 0 H ALA A 138 0.692 8.434 14.259 1.00 0.00 H new ATOM 0 HA ALA A 138 0.774 11.140 13.199 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.829 10.317 12.118 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.790 9.862 13.838 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.417 8.651 12.588 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.028 8.582 11.246 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.677 8.256 9.945 1.00 0.00 C ATOM 2227 C ALA A 139 -2.025 8.961 9.898 1.00 0.00 C ATOM 2228 O ALA A 139 -2.340 9.671 8.964 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.888 6.743 9.845 1.00 0.00 C ATOM 0 H ALA A 139 0.208 7.777 11.826 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.050 8.583 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.363 6.504 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.075 6.236 9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.527 6.410 10.663 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.811 8.795 10.922 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.126 9.480 10.968 1.00 0.00 C ATOM 2237 C LEU A 140 -3.855 10.984 10.982 1.00 0.00 C ATOM 2238 O LEU A 140 -4.628 11.780 10.486 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.866 9.073 12.244 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.927 7.544 12.333 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.973 7.124 13.801 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.185 7.033 11.627 1.00 0.00 C ATOM 0 H LEU A 140 -2.597 8.212 11.731 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.740 9.209 10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.356 9.479 13.118 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.874 9.488 12.241 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.044 7.122 11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -5.016 6.037 13.867 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -4.079 7.483 14.310 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.857 7.552 14.274 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.223 5.946 11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.068 7.457 12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.161 7.332 10.579 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.743 11.367 11.556 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.373 12.809 11.629 1.00 0.00 C ATOM 2256 C GLN A 141 -1.880 13.298 10.268 1.00 0.00 C ATOM 2257 O GLN A 141 -2.342 14.296 9.751 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.238 12.976 12.638 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.798 13.447 13.976 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.950 14.966 13.950 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.592 15.525 12.961 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.471 15.652 14.829 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.068 10.732 11.982 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.248 13.385 11.928 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.712 12.030 12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.511 13.697 12.264 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.763 12.976 14.166 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -1.133 13.150 14.787 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -0.969 15.214 15.602 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.570 16.667 14.795 1.00 0.00 H new ATOM 2271 N GLU A 142 -0.931 12.614 9.690 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.401 13.058 8.372 1.00 0.00 C ATOM 2273 C GLU A 142 -1.530 13.019 7.342 1.00 0.00 C ATOM 2274 O GLU A 142 -1.638 13.884 6.497 1.00 0.00 O ATOM 2275 CB GLU A 142 0.738 12.131 7.935 1.00 0.00 C ATOM 2276 CG GLU A 142 1.890 12.226 8.939 1.00 0.00 C ATOM 2277 CD GLU A 142 2.448 13.650 8.948 1.00 0.00 C ATOM 2278 OE1 GLU A 142 3.132 13.990 9.900 1.00 0.00 O ATOM 2279 OE2 GLU A 142 2.185 14.375 8.003 1.00 0.00 O ATOM 0 H GLU A 142 -0.502 11.771 10.072 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.017 14.075 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.380 11.103 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 142 1.085 12.409 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.540 11.956 9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 142 2.676 11.519 8.674 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.386 12.036 7.418 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.513 11.970 6.450 1.00 0.00 C ATOM 2289 C GLY A 143 -4.420 13.176 6.684 1.00 0.00 C ATOM 2290 O GLY A 143 -4.763 13.898 5.771 1.00 0.00 O ATOM 0 H GLY A 143 -2.353 11.282 8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.135 11.972 5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.072 11.044 6.581 1.00 0.00 H new ATOM 2294 N HIS A 144 -4.795 13.408 7.913 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.664 14.577 8.224 1.00 0.00 C ATOM 2296 C HIS A 144 -4.932 15.859 7.836 1.00 0.00 C ATOM 2297 O HIS A 144 -5.510 16.782 7.298 1.00 0.00 O ATOM 2298 CB HIS A 144 -5.961 14.604 9.724 1.00 0.00 C ATOM 2299 CG HIS A 144 -6.927 15.714 10.023 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -8.273 15.711 10.294 1.00 0.00 N flip ATOM 2301 CD2 HIS A 144 -6.532 17.044 10.077 1.00 0.00 C flip ATOM 2302 CE1 HIS A 144 -8.704 17.015 10.509 1.00 0.00 C flip ATOM 2303 NE2 HIS A 144 -7.620 17.779 10.368 1.00 0.00 N flip ATOM 0 H HIS A 144 -4.536 12.836 8.717 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.598 14.499 7.667 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.379 13.648 10.040 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.038 14.749 10.286 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -5.533 17.420 9.915 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -9.707 17.341 10.742 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -7.617 18.794 10.468 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.661 15.921 8.118 1.00 0.00 N ATOM 2313 CA GLN A 145 -2.875 17.140 7.784 1.00 0.00 C ATOM 2314 C GLN A 145 -2.983 17.442 6.286 1.00 0.00 C ATOM 2315 O GLN A 145 -3.181 18.570 5.882 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.407 16.891 8.137 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.613 18.189 7.972 1.00 0.00 C ATOM 2318 CD GLN A 145 -0.949 19.143 9.118 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -0.674 18.856 10.266 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.538 20.275 8.849 1.00 0.00 N ATOM 0 H GLN A 145 -3.130 15.175 8.568 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.265 17.987 8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.325 16.530 9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -0.994 16.115 7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.456 17.975 7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.852 18.654 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.768 20.514 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.769 20.922 9.603 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.840 16.441 5.458 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.917 16.669 3.985 1.00 0.00 C ATOM 2331 C PHE A 146 -4.358 16.944 3.542 1.00 0.00 C ATOM 2332 O PHE A 146 -4.613 17.862 2.786 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.392 15.439 3.254 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.543 15.645 1.768 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.739 15.291 1.141 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.495 16.196 1.021 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.895 15.485 -0.235 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.649 16.391 -0.357 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.849 16.035 -0.985 1.00 0.00 C ATOM 0 H PHE A 146 -2.673 15.475 5.738 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.309 17.540 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.345 15.271 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -2.942 14.552 3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.546 14.866 1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.570 16.470 1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.821 15.211 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.842 16.816 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.967 16.185 -2.048 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.300 16.156 3.981 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.710 16.383 3.550 1.00 0.00 C ATOM 2351 C LEU A 147 -7.107 17.831 3.831 1.00 0.00 C ATOM 2352 O LEU A 147 -7.908 18.413 3.127 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.646 15.424 4.292 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.308 13.983 3.905 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.254 13.019 4.616 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.468 13.805 2.396 1.00 0.00 C ATOM 0 H LEU A 147 -5.157 15.370 4.615 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.793 16.193 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.542 15.557 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.684 15.645 4.042 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.279 13.772 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.008 11.995 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.149 13.135 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.282 13.237 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.227 12.778 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.497 14.024 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.795 14.486 1.876 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.544 18.426 4.842 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.880 19.841 5.148 1.00 0.00 C ATOM 2370 C CYS A 148 -6.197 20.747 4.118 1.00 0.00 C ATOM 2371 O CYS A 148 -6.542 21.902 3.965 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.382 20.189 6.555 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.214 19.127 7.763 1.00 0.00 S ATOM 0 H CYS A 148 -5.866 17.994 5.470 1.00 0.00 H new ATOM 0 HA CYS A 148 -7.959 19.986 5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.302 20.052 6.616 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.583 21.237 6.776 1.00 0.00 H new ATOM 0 HG CYS A 148 -6.823 17.898 7.602 1.00 0.00 H new ATOM 2379 N SER A 149 -5.219 20.231 3.420 1.00 0.00 N ATOM 2380 CA SER A 149 -4.497 21.057 2.408 1.00 0.00 C ATOM 2381 C SER A 149 -5.208 21.010 1.050 1.00 0.00 C ATOM 2382 O SER A 149 -4.840 21.716 0.132 1.00 0.00 O ATOM 2383 CB SER A 149 -3.075 20.520 2.247 1.00 0.00 C ATOM 2384 OG SER A 149 -2.305 20.879 3.385 1.00 0.00 O ATOM 0 H SER A 149 -4.889 19.270 3.508 1.00 0.00 H new ATOM 0 HA SER A 149 -4.478 22.091 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 149 -3.094 19.436 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.621 20.927 1.343 1.00 0.00 H new ATOM 0 HG SER A 149 -1.393 20.534 3.285 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.214 20.190 0.901 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.915 20.121 -0.413 1.00 0.00 C ATOM 2392 C ILE A 150 -8.008 21.194 -0.456 1.00 0.00 C ATOM 2393 O ILE A 150 -7.765 22.356 -0.204 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.548 18.737 -0.604 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.770 17.686 0.188 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.514 18.369 -2.088 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.508 16.351 0.113 1.00 0.00 C ATOM 0 H ILE A 150 -6.578 19.571 1.625 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.195 20.292 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.577 18.765 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.763 17.581 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.666 18.000 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.963 17.386 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.074 19.109 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.481 18.349 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.957 15.598 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.506 16.463 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.589 16.038 -0.928 1.00 0.00 H new