USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 80 CYS SG : rot -52:sc= 0.693 USER MOD Set 1.2: A 95 CYS SG : rot 52:sc= 0.793 USER MOD Set 2.1: A 54 MET CE :methyl -153:sc= -1.26 (180deg=-2.63!) USER MOD Set 2.2: A 58 CYS SG : rot 43:sc= -1.31 USER MOD Set 3.1: A 36 HIS : no HD1:sc= -0.0147 X(o=-5.3,f=-5.2) USER MOD Set 3.2: A 53 HIS : no HD1:sc= -5.24! C(o=-5.3!,f=-5.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.07 K(o=-3.1,f=-8.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= -0.495 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.98! C(o=-2!,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.986 F(o=-1.9,f=-0.99) USER MOD Single : A 63 THR OG1 : rot 170:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= 0.22 F(o=-1.7!,f=0.22) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 86 CYS SG : rot -2:sc= 0.0939 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 16:sc= 0.919 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00078 USER MOD Single : A 102 CYS SG : rot -155:sc= -2.02 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot -54:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -13.027 -2.131 -7.756 1.00 0.00 N ATOM 67 CA PHE A 8 -11.842 -1.621 -7.075 1.00 0.00 C ATOM 68 C PHE A 8 -11.318 -0.364 -7.763 1.00 0.00 C ATOM 69 O PHE A 8 -11.088 -0.355 -8.972 1.00 0.00 O ATOM 70 CB PHE A 8 -10.749 -2.691 -7.039 1.00 0.00 C ATOM 71 CG PHE A 8 -11.236 -4.031 -6.569 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.613 -4.222 -5.249 1.00 0.00 C ATOM 73 CD2 PHE A 8 -11.319 -5.100 -7.446 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.061 -5.455 -4.814 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.767 -6.335 -7.017 1.00 0.00 C ATOM 76 CZ PHE A 8 -12.140 -6.513 -5.699 1.00 0.00 C ATOM 0 HA PHE A 8 -12.122 -1.364 -6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.324 -2.798 -8.037 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.945 -2.356 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.556 -3.398 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -11.030 -4.967 -8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.349 -5.591 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.825 -7.160 -7.712 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.492 -7.476 -5.361 1.00 0.00 H new ATOM 86 N VAL A 9 -11.131 0.696 -6.983 1.00 0.00 N ATOM 87 CA VAL A 9 -10.634 1.959 -7.515 1.00 0.00 C ATOM 88 C VAL A 9 -9.392 1.742 -8.373 1.00 0.00 C ATOM 89 O VAL A 9 -9.372 2.088 -9.554 1.00 0.00 O ATOM 90 CB VAL A 9 -10.298 2.950 -6.386 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.948 4.315 -6.959 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.457 3.055 -5.407 1.00 0.00 C ATOM 0 H VAL A 9 -11.316 0.705 -5.980 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.429 2.379 -8.131 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.428 2.576 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.714 5.002 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.084 4.223 -7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.796 4.700 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.202 3.760 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.346 3.405 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.655 2.076 -4.971 1.00 0.00 H new ATOM 102 N LYS A 10 -8.357 1.167 -7.770 1.00 0.00 N ATOM 103 CA LYS A 10 -7.110 0.901 -8.478 1.00 0.00 C ATOM 104 C LYS A 10 -6.436 -0.356 -7.939 1.00 0.00 C ATOM 105 O LYS A 10 -6.478 -0.629 -6.740 1.00 0.00 O ATOM 106 CB LYS A 10 -6.162 2.096 -8.350 1.00 0.00 C ATOM 107 CG LYS A 10 -4.793 1.855 -8.961 1.00 0.00 C ATOM 108 CD LYS A 10 -3.884 3.059 -8.785 1.00 0.00 C ATOM 109 CE LYS A 10 -2.417 2.657 -8.799 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.980 2.200 -10.147 1.00 0.00 N ATOM 0 H LYS A 10 -8.357 0.876 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.345 0.743 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.617 2.963 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.041 2.342 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.335 0.981 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.901 1.632 -10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.073 3.778 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.117 3.557 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.806 3.504 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.252 1.860 -8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.975 1.935 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.546 1.376 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.113 2.969 -10.834 1.00 0.00 H new ATOM 124 N SER A 11 -5.812 -1.117 -8.833 1.00 0.00 N ATOM 125 CA SER A 11 -5.131 -2.347 -8.447 1.00 0.00 C ATOM 126 C SER A 11 -3.763 -2.443 -9.116 1.00 0.00 C ATOM 127 O SER A 11 -3.634 -2.241 -10.323 1.00 0.00 O ATOM 128 CB SER A 11 -5.979 -3.564 -8.820 1.00 0.00 C ATOM 129 OG SER A 11 -6.377 -3.512 -10.179 1.00 0.00 O ATOM 0 H SER A 11 -5.764 -0.903 -9.829 1.00 0.00 H new ATOM 0 HA SER A 11 -4.988 -2.330 -7.367 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.411 -4.476 -8.639 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.861 -3.606 -8.181 1.00 0.00 H new ATOM 0 HG SER A 11 -6.916 -4.302 -10.392 1.00 0.00 H new ATOM 135 N GLY A 12 -2.743 -2.753 -8.321 1.00 0.00 N ATOM 136 CA GLY A 12 -1.397 -2.870 -8.853 1.00 0.00 C ATOM 137 C GLY A 12 -0.464 -3.605 -7.911 1.00 0.00 C ATOM 138 O GLY A 12 -0.812 -3.864 -6.759 1.00 0.00 O ATOM 0 H GLY A 12 -2.824 -2.925 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.431 -3.394 -9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.999 -1.874 -9.050 1.00 0.00 H new ATOM 142 N TRP A 13 0.723 -3.943 -8.402 1.00 0.00 N ATOM 143 CA TRP A 13 1.709 -4.655 -7.596 1.00 0.00 C ATOM 144 C TRP A 13 2.476 -3.691 -6.698 1.00 0.00 C ATOM 145 O TRP A 13 2.890 -2.616 -7.135 1.00 0.00 O ATOM 146 CB TRP A 13 2.682 -5.415 -8.499 1.00 0.00 C ATOM 147 CG TRP A 13 2.124 -6.704 -9.021 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.671 -6.948 -10.286 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.960 -7.925 -8.292 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.234 -8.247 -10.387 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.401 -8.867 -9.177 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.231 -8.314 -6.977 1.00 0.00 C ATOM 153 CZ2 TRP A 13 1.110 -10.172 -8.788 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.941 -9.609 -6.593 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.386 -10.526 -7.496 1.00 0.00 C ATOM 0 H TRP A 13 1.026 -3.736 -9.354 1.00 0.00 H new ATOM 0 HA TRP A 13 1.179 -5.367 -6.963 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.957 -4.779 -9.341 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.596 -5.622 -7.943 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.658 -6.226 -11.089 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.848 -8.679 -11.226 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.659 -7.615 -6.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.681 -10.880 -9.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.146 -9.920 -5.579 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.172 -11.532 -7.165 1.00 0.00 H new ATOM 166 N LEU A 14 2.662 -4.081 -5.442 1.00 0.00 N ATOM 167 CA LEU A 14 3.380 -3.250 -4.481 1.00 0.00 C ATOM 168 C LEU A 14 4.060 -4.109 -3.420 1.00 0.00 C ATOM 169 O LEU A 14 3.488 -5.087 -2.937 1.00 0.00 O ATOM 170 CB LEU A 14 2.422 -2.261 -3.816 1.00 0.00 C ATOM 171 CG LEU A 14 1.528 -1.454 -4.759 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.517 -0.638 -3.968 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.370 -0.549 -5.647 1.00 0.00 C ATOM 0 H LEU A 14 2.326 -4.967 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 14 4.148 -2.695 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.784 -2.813 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.009 -1.563 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 14 0.983 -2.150 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.110 -0.070 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.107 -1.307 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.043 0.049 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.718 0.018 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.942 0.140 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.054 -1.156 -6.241 1.00 0.00 H new ATOM 185 N LEU A 15 5.284 -3.737 -3.060 1.00 0.00 N ATOM 186 CA LEU A 15 6.042 -4.472 -2.054 1.00 0.00 C ATOM 187 C LEU A 15 5.614 -4.068 -0.647 1.00 0.00 C ATOM 188 O LEU A 15 5.120 -2.961 -0.432 1.00 0.00 O ATOM 189 CB LEU A 15 7.540 -4.225 -2.234 1.00 0.00 C ATOM 190 CG LEU A 15 8.132 -4.641 -3.582 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.414 -3.873 -3.861 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.389 -6.141 -3.611 1.00 0.00 C ATOM 0 H LEU A 15 5.772 -2.931 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 15 5.837 -5.534 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.733 -3.162 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.073 -4.757 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 15 7.412 -4.401 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.821 -4.182 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.200 -2.804 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.141 -4.081 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.810 -6.419 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.090 -6.405 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.451 -6.674 -3.457 1.00 0.00 H new ATOM 204 N ARG A 16 5.809 -4.971 0.308 1.00 0.00 N ATOM 205 CA ARG A 16 5.444 -4.708 1.695 1.00 0.00 C ATOM 206 C ARG A 16 6.465 -5.317 2.651 1.00 0.00 C ATOM 207 O ARG A 16 6.767 -6.508 2.575 1.00 0.00 O ATOM 208 CB ARG A 16 4.052 -5.268 1.994 1.00 0.00 C ATOM 209 CG ARG A 16 3.582 -5.006 3.415 1.00 0.00 C ATOM 210 CD ARG A 16 2.278 -5.729 3.713 1.00 0.00 C ATOM 211 NE ARG A 16 2.488 -7.151 3.973 1.00 0.00 N ATOM 212 CZ ARG A 16 2.907 -7.631 5.139 1.00 0.00 C ATOM 213 NH1 ARG A 16 3.159 -6.807 6.147 1.00 0.00 N ATOM 214 NH2 ARG A 16 3.074 -8.938 5.298 1.00 0.00 N ATOM 0 H ARG A 16 6.218 -5.891 0.147 1.00 0.00 H new ATOM 0 HA ARG A 16 5.433 -3.628 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.337 -4.831 1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.056 -6.343 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.348 -5.331 4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.447 -3.935 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.798 -5.269 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.597 -5.611 2.870 1.00 0.00 H new ATOM 0 HE ARG A 16 2.303 -7.812 3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.031 -5.802 6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.481 -7.178 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.881 -9.575 4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.396 -9.306 6.193 1.00 0.00 H new ATOM 228 N GLN A 17 6.994 -4.492 3.549 1.00 0.00 N ATOM 229 CA GLN A 17 7.982 -4.949 4.518 1.00 0.00 C ATOM 230 C GLN A 17 7.304 -5.529 5.755 1.00 0.00 C ATOM 231 O GLN A 17 6.755 -4.794 6.575 1.00 0.00 O ATOM 232 CB GLN A 17 8.905 -3.797 4.920 1.00 0.00 C ATOM 233 CG GLN A 17 10.239 -4.256 5.487 1.00 0.00 C ATOM 234 CD GLN A 17 10.986 -3.142 6.194 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.785 -2.903 7.385 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.854 -2.454 5.463 1.00 0.00 N ATOM 0 H GLN A 17 6.754 -3.503 3.625 1.00 0.00 H new ATOM 0 HA GLN A 17 8.576 -5.734 4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.087 -3.167 4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.398 -3.178 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.070 -5.076 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.857 -4.648 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.989 -2.686 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.386 -1.693 5.885 1.00 0.00 H new ATOM 245 N SER A 18 7.346 -6.852 5.881 1.00 0.00 N ATOM 246 CA SER A 18 6.731 -7.531 7.016 1.00 0.00 C ATOM 247 C SER A 18 7.674 -7.547 8.215 1.00 0.00 C ATOM 248 O SER A 18 8.868 -7.275 8.086 1.00 0.00 O ATOM 249 CB SER A 18 6.348 -8.962 6.635 1.00 0.00 C ATOM 250 OG SER A 18 5.340 -9.466 7.494 1.00 0.00 O ATOM 0 H SER A 18 7.799 -7.474 5.212 1.00 0.00 H new ATOM 0 HA SER A 18 5.830 -6.983 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.996 -8.985 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.228 -9.603 6.686 1.00 0.00 H new ATOM 0 HG SER A 18 5.112 -10.381 7.229 1.00 0.00 H new ATOM 256 N THR A 19 7.129 -7.868 9.385 1.00 0.00 N ATOM 257 CA THR A 19 7.920 -7.919 10.608 1.00 0.00 C ATOM 258 C THR A 19 8.645 -9.254 10.739 1.00 0.00 C ATOM 259 O THR A 19 9.689 -9.342 11.385 1.00 0.00 O ATOM 260 CB THR A 19 7.041 -7.701 11.854 1.00 0.00 C ATOM 261 OG1 THR A 19 5.837 -8.469 11.745 1.00 0.00 O ATOM 262 CG2 THR A 19 6.696 -6.229 12.022 1.00 0.00 C ATOM 0 H THR A 19 6.143 -8.096 9.511 1.00 0.00 H new ATOM 0 HA THR A 19 8.653 -7.115 10.544 1.00 0.00 H new ATOM 0 HB THR A 19 7.602 -8.029 12.729 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.285 -8.326 12.542 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.075 -6.100 12.908 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.613 -5.651 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.152 -5.880 11.144 1.00 0.00 H new ATOM 270 N ILE A 20 8.085 -10.288 10.121 1.00 0.00 N ATOM 271 CA ILE A 20 8.681 -11.618 10.168 1.00 0.00 C ATOM 272 C ILE A 20 9.704 -11.802 9.052 1.00 0.00 C ATOM 273 O ILE A 20 10.875 -12.084 9.309 1.00 0.00 O ATOM 274 CB ILE A 20 7.610 -12.719 10.053 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.712 -12.718 11.292 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.266 -14.079 9.868 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.561 -11.740 11.204 1.00 0.00 C ATOM 0 H ILE A 20 7.221 -10.231 9.582 1.00 0.00 H new ATOM 0 HA ILE A 20 9.180 -11.706 11.133 1.00 0.00 H new ATOM 0 HB ILE A 20 6.992 -12.514 9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.315 -13.722 11.443 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.315 -12.479 12.168 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.496 -14.846 9.788 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.867 -14.072 8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.905 -14.294 10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.967 -11.794 12.117 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.951 -10.729 11.084 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.935 -11.991 10.348 1.00 0.00 H new ATOM 289 N LEU A 21 9.255 -11.637 7.813 1.00 0.00 N ATOM 290 CA LEU A 21 10.132 -11.783 6.656 1.00 0.00 C ATOM 291 C LEU A 21 11.178 -10.673 6.623 1.00 0.00 C ATOM 292 O LEU A 21 12.224 -10.809 5.988 1.00 0.00 O ATOM 293 CB LEU A 21 9.313 -11.766 5.365 1.00 0.00 C ATOM 294 CG LEU A 21 8.818 -13.124 4.866 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.610 -13.580 5.670 1.00 0.00 C ATOM 296 CD2 LEU A 21 8.480 -13.057 3.384 1.00 0.00 C ATOM 0 H LEU A 21 8.289 -11.402 7.583 1.00 0.00 H new ATOM 0 HA LEU A 21 10.647 -12.740 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.448 -11.120 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.918 -11.312 4.580 1.00 0.00 H new ATOM 0 HG LEU A 21 9.617 -13.853 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.272 -14.548 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.885 -13.668 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.807 -12.851 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.129 -14.032 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.698 -12.315 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.370 -12.776 2.820 1.00 0.00 H new ATOM 308 N LYS A 22 10.889 -9.574 7.312 1.00 0.00 N ATOM 309 CA LYS A 22 11.805 -8.441 7.365 1.00 0.00 C ATOM 310 C LYS A 22 12.456 -8.203 6.006 1.00 0.00 C ATOM 311 O LYS A 22 13.674 -8.055 5.908 1.00 0.00 O ATOM 312 CB LYS A 22 12.884 -8.680 8.424 1.00 0.00 C ATOM 313 CG LYS A 22 12.486 -8.214 9.813 1.00 0.00 C ATOM 314 CD LYS A 22 13.697 -7.780 10.624 1.00 0.00 C ATOM 315 CE LYS A 22 14.469 -8.977 11.156 1.00 0.00 C ATOM 316 NZ LYS A 22 13.937 -9.442 12.467 1.00 0.00 N ATOM 0 H LYS A 22 10.027 -9.444 7.842 1.00 0.00 H new ATOM 0 HA LYS A 22 11.231 -7.554 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.117 -9.744 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.796 -8.164 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.784 -7.384 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.968 -9.019 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.353 -7.170 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.374 -7.155 11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.418 -9.792 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.521 -8.712 11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.490 -10.259 12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.009 -8.673 13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.941 -9.719 12.359 1.00 0.00 H new ATOM 330 N ARG A 23 11.636 -8.166 4.961 1.00 0.00 N ATOM 331 CA ARG A 23 12.132 -7.945 3.608 1.00 0.00 C ATOM 332 C ARG A 23 10.992 -7.572 2.665 1.00 0.00 C ATOM 333 O ARG A 23 9.842 -7.956 2.882 1.00 0.00 O ATOM 334 CB ARG A 23 12.845 -9.197 3.093 1.00 0.00 C ATOM 335 CG ARG A 23 11.899 -10.323 2.710 1.00 0.00 C ATOM 336 CD ARG A 23 12.522 -11.247 1.676 1.00 0.00 C ATOM 337 NE ARG A 23 13.470 -12.181 2.277 1.00 0.00 N ATOM 338 CZ ARG A 23 13.121 -13.132 3.136 1.00 0.00 C ATOM 339 NH1 ARG A 23 11.852 -13.275 3.492 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.042 -13.944 3.640 1.00 0.00 N ATOM 0 H ARG A 23 10.625 -8.286 5.025 1.00 0.00 H new ATOM 0 HA ARG A 23 12.841 -7.118 3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.448 -8.930 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.531 -9.556 3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.635 -10.896 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.974 -9.904 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.736 -11.805 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.031 -10.652 0.918 1.00 0.00 H new ATOM 0 HE ARG A 23 14.454 -12.099 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.141 -12.654 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.587 -14.006 4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.019 -13.838 3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.773 -14.674 4.300 1.00 0.00 H new ATOM 354 N TRP A 24 11.318 -6.823 1.618 1.00 0.00 N ATOM 355 CA TRP A 24 10.321 -6.398 0.642 1.00 0.00 C ATOM 356 C TRP A 24 9.813 -7.584 -0.169 1.00 0.00 C ATOM 357 O TRP A 24 10.572 -8.223 -0.898 1.00 0.00 O ATOM 358 CB TRP A 24 10.911 -5.341 -0.293 1.00 0.00 C ATOM 359 CG TRP A 24 11.359 -4.100 0.420 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.626 -3.804 0.832 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.540 -2.991 0.806 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.645 -2.577 1.451 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.378 -2.058 1.447 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.181 -2.694 0.670 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.899 -0.851 1.951 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.707 -1.497 1.171 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.564 -0.587 1.805 1.00 0.00 C ATOM 0 H TRP A 24 12.265 -6.497 1.423 1.00 0.00 H new ATOM 0 HA TRP A 24 9.480 -5.965 1.184 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.759 -5.771 -0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.166 -5.072 -1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.487 -4.440 0.692 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.469 -2.126 1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.513 -3.388 0.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.558 -0.148 2.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.658 -1.258 1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 24 9.163 0.341 2.186 1.00 0.00 H new ATOM 378 N LYS A 25 8.523 -7.876 -0.038 1.00 0.00 N ATOM 379 CA LYS A 25 7.911 -8.985 -0.760 1.00 0.00 C ATOM 380 C LYS A 25 6.763 -8.497 -1.637 1.00 0.00 C ATOM 381 O LYS A 25 5.866 -7.795 -1.169 1.00 0.00 O ATOM 382 CB LYS A 25 7.403 -10.042 0.223 1.00 0.00 C ATOM 383 CG LYS A 25 6.231 -9.573 1.067 1.00 0.00 C ATOM 384 CD LYS A 25 5.802 -10.636 2.065 1.00 0.00 C ATOM 385 CE LYS A 25 5.474 -11.950 1.373 1.00 0.00 C ATOM 386 NZ LYS A 25 4.793 -12.905 2.290 1.00 0.00 N ATOM 0 H LYS A 25 7.881 -7.359 0.562 1.00 0.00 H new ATOM 0 HA LYS A 25 8.671 -9.430 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.107 -10.931 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.220 -10.336 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.506 -8.663 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.392 -9.322 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.598 -10.796 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.930 -10.287 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.836 -11.757 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.392 -12.401 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.586 -13.788 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.412 -13.109 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.904 -12.486 2.630 1.00 0.00 H new ATOM 400 N LYS A 26 6.795 -8.873 -2.911 1.00 0.00 N ATOM 401 CA LYS A 26 5.756 -8.476 -3.853 1.00 0.00 C ATOM 402 C LYS A 26 4.372 -8.832 -3.319 1.00 0.00 C ATOM 403 O LYS A 26 4.120 -9.973 -2.934 1.00 0.00 O ATOM 404 CB LYS A 26 5.981 -9.153 -5.207 1.00 0.00 C ATOM 405 CG LYS A 26 5.484 -8.335 -6.386 1.00 0.00 C ATOM 406 CD LYS A 26 6.570 -7.420 -6.927 1.00 0.00 C ATOM 407 CE LYS A 26 7.403 -8.114 -7.995 1.00 0.00 C ATOM 408 NZ LYS A 26 7.985 -7.144 -8.963 1.00 0.00 N ATOM 0 H LYS A 26 7.530 -9.453 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 26 5.810 -7.395 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.046 -9.348 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.478 -10.120 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.143 -9.004 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.624 -7.739 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.116 -6.522 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.217 -7.099 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.205 -8.678 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.782 -8.832 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.545 -7.657 -9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.219 -6.623 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.598 -6.474 -8.457 1.00 0.00 H new ATOM 422 N ASN A 27 3.479 -7.848 -3.299 1.00 0.00 N ATOM 423 CA ASN A 27 2.121 -8.058 -2.813 1.00 0.00 C ATOM 424 C ASN A 27 1.105 -7.378 -3.726 1.00 0.00 C ATOM 425 O ASN A 27 1.435 -6.434 -4.443 1.00 0.00 O ATOM 426 CB ASN A 27 1.979 -7.524 -1.386 1.00 0.00 C ATOM 427 CG ASN A 27 2.824 -8.299 -0.393 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.768 -7.762 0.187 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.487 -9.567 -0.192 1.00 0.00 N ATOM 0 H ASN A 27 3.672 -6.897 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 27 1.923 -9.130 -2.814 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.268 -6.473 -1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.933 -7.573 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.018 -10.138 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.697 -9.971 -0.695 1.00 0.00 H new ATOM 436 N TRP A 28 -0.130 -7.864 -3.692 1.00 0.00 N ATOM 437 CA TRP A 28 -1.195 -7.303 -4.516 1.00 0.00 C ATOM 438 C TRP A 28 -2.121 -6.423 -3.683 1.00 0.00 C ATOM 439 O TRP A 28 -2.595 -6.833 -2.623 1.00 0.00 O ATOM 440 CB TRP A 28 -1.997 -8.422 -5.182 1.00 0.00 C ATOM 441 CG TRP A 28 -2.913 -7.934 -6.263 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.267 -8.102 -6.328 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.540 -7.202 -7.436 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.758 -7.517 -7.470 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.720 -6.957 -8.166 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.326 -6.726 -7.938 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -3.717 -6.260 -9.372 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.325 -6.035 -9.135 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.514 -5.806 -9.840 1.00 0.00 C ATOM 0 H TRP A 28 -0.419 -8.645 -3.103 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.736 -6.686 -5.289 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.307 -9.153 -5.603 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.585 -8.939 -4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.864 -8.618 -5.591 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.738 -7.502 -7.754 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.405 -6.895 -7.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.632 -6.084 -9.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.392 -5.665 -9.534 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.480 -5.260 -10.771 1.00 0.00 H new ATOM 460 N PHE A 29 -2.376 -5.213 -4.169 1.00 0.00 N ATOM 461 CA PHE A 29 -3.246 -4.275 -3.469 1.00 0.00 C ATOM 462 C PHE A 29 -4.480 -3.949 -4.305 1.00 0.00 C ATOM 463 O PHE A 29 -4.432 -3.966 -5.535 1.00 0.00 O ATOM 464 CB PHE A 29 -2.485 -2.989 -3.140 1.00 0.00 C ATOM 465 CG PHE A 29 -1.478 -3.154 -2.037 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.267 -3.782 -2.275 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.744 -2.680 -0.762 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.662 -3.935 -1.263 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.819 -2.830 0.254 1.00 0.00 C ATOM 470 CZ PHE A 29 0.385 -3.459 0.003 1.00 0.00 C ATOM 0 H PHE A 29 -1.992 -4.859 -5.045 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.572 -4.744 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.975 -2.638 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.199 -2.216 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.046 -4.157 -3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.684 -2.188 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.603 -4.426 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.037 -2.456 1.243 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.109 -3.578 0.796 1.00 0.00 H new ATOM 480 N ASP A 30 -5.584 -3.654 -3.628 1.00 0.00 N ATOM 481 CA ASP A 30 -6.832 -3.323 -4.307 1.00 0.00 C ATOM 482 C ASP A 30 -7.707 -2.431 -3.432 1.00 0.00 C ATOM 483 O ASP A 30 -8.193 -2.856 -2.384 1.00 0.00 O ATOM 484 CB ASP A 30 -7.591 -4.599 -4.674 1.00 0.00 C ATOM 485 CG ASP A 30 -6.780 -5.519 -5.566 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.959 -6.294 -5.030 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.966 -5.465 -6.799 1.00 0.00 O ATOM 0 H ASP A 30 -5.641 -3.637 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.587 -2.779 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.865 -5.130 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.519 -4.333 -5.179 1.00 0.00 H new ATOM 492 N LEU A 31 -7.902 -1.191 -3.870 1.00 0.00 N ATOM 493 CA LEU A 31 -8.717 -0.237 -3.126 1.00 0.00 C ATOM 494 C LEU A 31 -10.180 -0.325 -3.550 1.00 0.00 C ATOM 495 O LEU A 31 -10.485 -0.590 -4.713 1.00 0.00 O ATOM 496 CB LEU A 31 -8.197 1.185 -3.341 1.00 0.00 C ATOM 497 CG LEU A 31 -8.779 2.259 -2.422 1.00 0.00 C ATOM 498 CD1 LEU A 31 -8.049 2.272 -1.088 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.705 3.626 -3.086 1.00 0.00 C ATOM 0 H LEU A 31 -7.507 -0.824 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.648 -0.486 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.114 1.177 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.397 1.471 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.827 2.023 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.477 3.043 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.154 1.300 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.992 2.483 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.124 4.378 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.665 3.870 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.274 3.610 -4.016 1.00 0.00 H new ATOM 511 N TRP A 32 -11.080 -0.100 -2.599 1.00 0.00 N ATOM 512 CA TRP A 32 -12.511 -0.151 -2.875 1.00 0.00 C ATOM 513 C TRP A 32 -13.080 1.251 -3.064 1.00 0.00 C ATOM 514 O TRP A 32 -12.613 2.209 -2.448 1.00 0.00 O ATOM 515 CB TRP A 32 -13.245 -0.863 -1.737 1.00 0.00 C ATOM 516 CG TRP A 32 -12.895 -2.316 -1.623 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.651 -2.870 -1.724 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.801 -3.399 -1.387 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.729 -4.233 -1.565 1.00 0.00 N ATOM 520 CE2 TRP A 32 -13.037 -4.582 -1.357 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.183 -3.485 -1.197 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.611 -5.833 -1.145 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.751 -4.727 -0.987 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.966 -5.888 -0.962 1.00 0.00 C ATOM 0 H TRP A 32 -10.844 0.119 -1.631 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.658 -0.710 -3.799 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.011 -0.365 -0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.320 -0.766 -1.891 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.740 -2.318 -1.903 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.941 -4.880 -1.597 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.796 -2.596 -1.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.008 -6.729 -1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.818 -4.805 -0.840 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.440 -6.844 -0.795 1.00 0.00 H new ATOM 535 N SER A 33 -14.091 1.364 -3.920 1.00 0.00 N ATOM 536 CA SER A 33 -14.721 2.650 -4.193 1.00 0.00 C ATOM 537 C SER A 33 -15.104 3.354 -2.894 1.00 0.00 C ATOM 538 O SER A 33 -15.058 4.580 -2.802 1.00 0.00 O ATOM 539 CB SER A 33 -15.961 2.460 -5.068 1.00 0.00 C ATOM 540 OG SER A 33 -16.655 3.683 -5.243 1.00 0.00 O ATOM 0 H SER A 33 -14.491 0.580 -4.436 1.00 0.00 H new ATOM 0 HA SER A 33 -14.002 3.273 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.667 2.063 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.623 1.725 -4.611 1.00 0.00 H new ATOM 0 HG SER A 33 -17.442 3.534 -5.807 1.00 0.00 H new ATOM 546 N ASP A 34 -15.484 2.567 -1.893 1.00 0.00 N ATOM 547 CA ASP A 34 -15.875 3.113 -0.598 1.00 0.00 C ATOM 548 C ASP A 34 -14.665 3.670 0.145 1.00 0.00 C ATOM 549 O ASP A 34 -14.773 4.647 0.884 1.00 0.00 O ATOM 550 CB ASP A 34 -16.557 2.037 0.247 1.00 0.00 C ATOM 551 CG ASP A 34 -17.720 1.384 -0.474 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.436 2.096 -1.210 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.916 0.163 -0.302 1.00 0.00 O ATOM 0 H ASP A 34 -15.530 1.550 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.578 3.928 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.827 1.274 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.913 2.481 1.177 1.00 0.00 H new ATOM 558 N GLY A 35 -13.511 3.040 -0.056 1.00 0.00 N ATOM 559 CA GLY A 35 -12.298 3.486 0.602 1.00 0.00 C ATOM 560 C GLY A 35 -11.518 2.342 1.219 1.00 0.00 C ATOM 561 O GLY A 35 -10.311 2.449 1.437 1.00 0.00 O ATOM 0 H GLY A 35 -13.395 2.229 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.667 4.004 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.554 4.207 1.378 1.00 0.00 H new ATOM 565 N HIS A 36 -12.210 1.243 1.504 1.00 0.00 N ATOM 566 CA HIS A 36 -11.575 0.073 2.101 1.00 0.00 C ATOM 567 C HIS A 36 -10.433 -0.432 1.224 1.00 0.00 C ATOM 568 O HIS A 36 -10.547 -0.468 -0.002 1.00 0.00 O ATOM 569 CB HIS A 36 -12.602 -1.039 2.312 1.00 0.00 C ATOM 570 CG HIS A 36 -13.292 -0.974 3.640 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.454 -0.263 3.850 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.977 -1.538 4.829 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.824 -0.391 5.112 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.944 -1.161 5.728 1.00 0.00 N ATOM 0 H HIS A 36 -13.210 1.138 1.331 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.165 0.366 3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.350 -0.987 1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.105 -2.004 2.217 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.124 -2.168 5.033 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.697 0.057 5.563 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.978 -1.431 6.711 1.00 0.00 H new ATOM 583 N LEU A 37 -9.333 -0.820 1.860 1.00 0.00 N ATOM 584 CA LEU A 37 -8.169 -1.323 1.138 1.00 0.00 C ATOM 585 C LEU A 37 -7.887 -2.776 1.505 1.00 0.00 C ATOM 586 O LEU A 37 -7.814 -3.126 2.683 1.00 0.00 O ATOM 587 CB LEU A 37 -6.943 -0.460 1.443 1.00 0.00 C ATOM 588 CG LEU A 37 -5.612 -0.963 0.883 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.583 -0.823 -0.631 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.450 -0.210 1.512 1.00 0.00 C ATOM 0 H LEU A 37 -9.223 -0.796 2.874 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.384 -1.273 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.123 0.542 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.848 -0.369 2.525 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.511 -2.019 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.628 -1.186 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.393 -1.408 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.707 0.226 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.511 -0.581 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.546 0.854 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.459 -0.362 2.591 1.00 0.00 H new ATOM 602 N ILE A 38 -7.726 -3.617 0.488 1.00 0.00 N ATOM 603 CA ILE A 38 -7.448 -5.031 0.704 1.00 0.00 C ATOM 604 C ILE A 38 -6.377 -5.534 -0.257 1.00 0.00 C ATOM 605 O ILE A 38 -6.476 -5.342 -1.470 1.00 0.00 O ATOM 606 CB ILE A 38 -8.717 -5.887 0.534 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.869 -5.300 1.353 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.446 -7.326 0.947 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.139 -6.118 1.283 1.00 0.00 C ATOM 0 H ILE A 38 -7.783 -3.343 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.088 -5.128 1.728 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.003 -5.880 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.558 -5.216 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.077 -4.290 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.353 -7.918 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.653 -7.740 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.138 -7.353 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.912 -5.642 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.475 -6.181 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.947 -7.121 1.664 1.00 0.00 H new ATOM 621 N TYR A 39 -5.354 -6.180 0.291 1.00 0.00 N ATOM 622 CA TYR A 39 -4.263 -6.711 -0.518 1.00 0.00 C ATOM 623 C TYR A 39 -4.125 -8.218 -0.325 1.00 0.00 C ATOM 624 O TYR A 39 -4.448 -8.752 0.737 1.00 0.00 O ATOM 625 CB TYR A 39 -2.948 -6.017 -0.157 1.00 0.00 C ATOM 626 CG TYR A 39 -2.792 -5.747 1.322 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.549 -4.767 1.954 1.00 0.00 C ATOM 628 CD2 TYR A 39 -1.888 -6.472 2.089 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.408 -4.517 3.305 1.00 0.00 C ATOM 630 CE2 TYR A 39 -1.742 -6.230 3.441 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.504 -5.251 4.044 1.00 0.00 C ATOM 632 OH TYR A 39 -2.363 -5.006 5.391 1.00 0.00 O ATOM 0 H TYR A 39 -5.257 -6.349 1.292 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.493 -6.517 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.116 -6.635 -0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.884 -5.073 -0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.259 -4.192 1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.289 -7.238 1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.003 -3.751 3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.036 -6.804 4.022 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.214 -4.687 5.756 1.00 0.00 H new ATOM 642 N TYR A 40 -3.642 -8.898 -1.359 1.00 0.00 N ATOM 643 CA TYR A 40 -3.461 -10.344 -1.305 1.00 0.00 C ATOM 644 C TYR A 40 -1.988 -10.715 -1.442 1.00 0.00 C ATOM 645 O TYR A 40 -1.135 -9.851 -1.648 1.00 0.00 O ATOM 646 CB TYR A 40 -4.274 -11.021 -2.410 1.00 0.00 C ATOM 647 CG TYR A 40 -5.723 -10.592 -2.446 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.116 -9.459 -3.148 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.701 -11.320 -1.778 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.439 -9.062 -3.182 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.026 -10.931 -1.808 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.390 -9.802 -2.511 1.00 0.00 C ATOM 653 OH TYR A 40 -9.709 -9.411 -2.544 1.00 0.00 O ATOM 0 H TYR A 40 -3.369 -8.471 -2.244 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.815 -10.693 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.815 -10.801 -3.374 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.227 -12.101 -2.274 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.374 -8.878 -3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.420 -12.205 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.727 -8.177 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.773 -11.508 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.250 -10.040 -2.022 1.00 0.00 H new ATOM 663 N ASP A 41 -1.697 -12.006 -1.328 1.00 0.00 N ATOM 664 CA ASP A 41 -0.327 -12.493 -1.441 1.00 0.00 C ATOM 665 C ASP A 41 0.188 -12.342 -2.869 1.00 0.00 C ATOM 666 O ASP A 41 1.356 -12.020 -3.087 1.00 0.00 O ATOM 667 CB ASP A 41 -0.247 -13.959 -1.010 1.00 0.00 C ATOM 668 CG ASP A 41 1.154 -14.523 -1.132 1.00 0.00 C ATOM 669 OD1 ASP A 41 2.021 -14.141 -0.317 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.385 -15.347 -2.041 1.00 0.00 O ATOM 0 H ASP A 41 -2.391 -12.734 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 41 0.301 -11.893 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.583 -14.050 0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.928 -14.552 -1.620 1.00 0.00 H new ATOM 675 N ASP A 42 -0.690 -12.577 -3.837 1.00 0.00 N ATOM 676 CA ASP A 42 -0.324 -12.466 -5.244 1.00 0.00 C ATOM 677 C ASP A 42 -1.566 -12.316 -6.118 1.00 0.00 C ATOM 678 O ASP A 42 -2.687 -12.255 -5.614 1.00 0.00 O ATOM 679 CB ASP A 42 0.478 -13.693 -5.683 1.00 0.00 C ATOM 680 CG ASP A 42 1.948 -13.578 -5.334 1.00 0.00 C ATOM 681 OD1 ASP A 42 2.614 -12.663 -5.863 1.00 0.00 O ATOM 682 OD2 ASP A 42 2.433 -14.402 -4.531 1.00 0.00 O ATOM 0 H ASP A 42 -1.660 -12.846 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 42 0.293 -11.576 -5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.064 -14.583 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.372 -13.826 -6.760 1.00 0.00 H new ATOM 687 N GLN A 43 -1.357 -12.256 -7.429 1.00 0.00 N ATOM 688 CA GLN A 43 -2.459 -12.111 -8.372 1.00 0.00 C ATOM 689 C GLN A 43 -3.575 -13.103 -8.062 1.00 0.00 C ATOM 690 O GLN A 43 -4.747 -12.844 -8.340 1.00 0.00 O ATOM 691 CB GLN A 43 -1.963 -12.316 -9.805 1.00 0.00 C ATOM 692 CG GLN A 43 -3.076 -12.606 -10.799 1.00 0.00 C ATOM 693 CD GLN A 43 -3.460 -14.072 -10.834 1.00 0.00 C ATOM 694 OE1 GLN A 43 -4.621 -14.426 -10.627 1.00 0.00 O ATOM 695 NE2 GLN A 43 -2.485 -14.933 -11.097 1.00 0.00 N ATOM 0 H GLN A 43 -0.435 -12.306 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.857 -11.101 -8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.425 -11.424 -10.125 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.250 -13.141 -9.819 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.952 -12.011 -10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.760 -12.293 -11.794 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.537 -14.595 -11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.684 -15.933 -11.134 1.00 0.00 H new ATOM 704 N THR A 44 -3.205 -14.241 -7.483 1.00 0.00 N ATOM 705 CA THR A 44 -4.174 -15.273 -7.136 1.00 0.00 C ATOM 706 C THR A 44 -5.428 -14.664 -6.518 1.00 0.00 C ATOM 707 O THR A 44 -6.546 -15.079 -6.822 1.00 0.00 O ATOM 708 CB THR A 44 -3.577 -16.297 -6.153 1.00 0.00 C ATOM 709 OG1 THR A 44 -2.938 -15.618 -5.066 1.00 0.00 O ATOM 710 CG2 THR A 44 -2.573 -17.199 -6.855 1.00 0.00 C ATOM 0 H THR A 44 -2.240 -14.471 -7.244 1.00 0.00 H new ATOM 0 HA THR A 44 -4.439 -15.782 -8.063 1.00 0.00 H new ATOM 0 HB THR A 44 -4.389 -16.914 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.563 -16.276 -4.445 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.165 -17.914 -6.141 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.069 -17.736 -7.663 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.765 -16.594 -7.265 1.00 0.00 H new ATOM 718 N ARG A 45 -5.234 -13.676 -5.649 1.00 0.00 N ATOM 719 CA ARG A 45 -6.349 -13.011 -4.988 1.00 0.00 C ATOM 720 C ARG A 45 -7.221 -14.019 -4.244 1.00 0.00 C ATOM 721 O ARG A 45 -8.428 -13.823 -4.102 1.00 0.00 O ATOM 722 CB ARG A 45 -7.193 -12.247 -6.010 1.00 0.00 C ATOM 723 CG ARG A 45 -6.572 -10.932 -6.453 1.00 0.00 C ATOM 724 CD ARG A 45 -7.514 -10.144 -7.348 1.00 0.00 C ATOM 725 NE ARG A 45 -6.792 -9.297 -8.293 1.00 0.00 N ATOM 726 CZ ARG A 45 -7.387 -8.560 -9.225 1.00 0.00 C ATOM 727 NH1 ARG A 45 -8.708 -8.567 -9.335 1.00 0.00 N ATOM 728 NH2 ARG A 45 -6.661 -7.815 -10.048 1.00 0.00 N ATOM 0 H ARG A 45 -4.315 -13.319 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.941 -12.306 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.348 -12.878 -6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.175 -12.049 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.317 -10.336 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.642 -11.129 -6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.155 -10.834 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.166 -9.525 -6.732 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.774 -9.269 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.269 -9.139 -8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.163 -8.001 -10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.644 -7.807 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.119 -7.250 -10.763 1.00 0.00 H new ATOM 742 N GLN A 46 -6.600 -15.096 -3.774 1.00 0.00 N ATOM 743 CA GLN A 46 -7.320 -16.134 -3.046 1.00 0.00 C ATOM 744 C GLN A 46 -6.878 -16.183 -1.587 1.00 0.00 C ATOM 745 O GLN A 46 -7.659 -16.536 -0.703 1.00 0.00 O ATOM 746 CB GLN A 46 -7.096 -17.496 -3.705 1.00 0.00 C ATOM 747 CG GLN A 46 -5.781 -18.152 -3.315 1.00 0.00 C ATOM 748 CD GLN A 46 -5.543 -19.460 -4.044 1.00 0.00 C ATOM 749 OE1 GLN A 46 -5.420 -20.516 -3.423 1.00 0.00 O ATOM 750 NE2 GLN A 46 -5.475 -19.396 -5.368 1.00 0.00 N ATOM 0 H GLN A 46 -5.601 -15.272 -3.884 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.383 -15.893 -3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.917 -18.160 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.125 -17.376 -4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.960 -17.467 -3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.774 -18.333 -2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.583 -18.499 -5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.315 -20.244 -5.912 1.00 0.00 H new ATOM 759 N SER A 47 -5.621 -15.826 -1.343 1.00 0.00 N ATOM 760 CA SER A 47 -5.074 -15.833 0.009 1.00 0.00 C ATOM 761 C SER A 47 -5.004 -14.418 0.574 1.00 0.00 C ATOM 762 O SER A 47 -3.942 -13.795 0.586 1.00 0.00 O ATOM 763 CB SER A 47 -3.681 -16.467 0.014 1.00 0.00 C ATOM 764 OG SER A 47 -3.764 -17.881 0.007 1.00 0.00 O ATOM 0 H SER A 47 -4.963 -15.529 -2.063 1.00 0.00 H new ATOM 0 HA SER A 47 -5.737 -16.424 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.121 -16.128 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.131 -16.136 0.895 1.00 0.00 H new ATOM 0 HG SER A 47 -2.861 -18.262 0.009 1.00 0.00 H new ATOM 770 N ILE A 48 -6.142 -13.917 1.042 1.00 0.00 N ATOM 771 CA ILE A 48 -6.210 -12.576 1.609 1.00 0.00 C ATOM 772 C ILE A 48 -5.105 -12.357 2.636 1.00 0.00 C ATOM 773 O ILE A 48 -5.017 -13.077 3.630 1.00 0.00 O ATOM 774 CB ILE A 48 -7.574 -12.316 2.276 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.699 -12.424 1.245 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.586 -10.948 2.940 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.025 -12.846 1.839 1.00 0.00 C ATOM 0 H ILE A 48 -7.030 -14.420 1.040 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.079 -11.877 0.783 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.737 -13.072 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.822 -11.460 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.409 -13.141 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.556 -10.779 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.805 -10.905 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.405 -10.178 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.776 -12.902 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.919 -13.824 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.337 -12.117 2.587 1.00 0.00 H new ATOM 789 N GLU A 49 -4.264 -11.357 2.388 1.00 0.00 N ATOM 790 CA GLU A 49 -3.164 -11.043 3.293 1.00 0.00 C ATOM 791 C GLU A 49 -3.666 -10.276 4.513 1.00 0.00 C ATOM 792 O GLU A 49 -3.585 -10.762 5.642 1.00 0.00 O ATOM 793 CB GLU A 49 -2.095 -10.224 2.566 1.00 0.00 C ATOM 794 CG GLU A 49 -1.052 -11.075 1.861 1.00 0.00 C ATOM 795 CD GLU A 49 -0.372 -12.057 2.795 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.004 -11.648 3.914 1.00 0.00 O ATOM 797 OE2 GLU A 49 -0.214 -13.233 2.407 1.00 0.00 O ATOM 0 H GLU A 49 -4.323 -10.751 1.569 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.725 -11.982 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.580 -9.578 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.596 -9.574 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.526 -11.623 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.300 -10.425 1.413 1.00 0.00 H new ATOM 804 N ASP A 50 -4.183 -9.076 4.279 1.00 0.00 N ATOM 805 CA ASP A 50 -4.699 -8.241 5.357 1.00 0.00 C ATOM 806 C ASP A 50 -5.637 -7.168 4.814 1.00 0.00 C ATOM 807 O ASP A 50 -5.526 -6.758 3.658 1.00 0.00 O ATOM 808 CB ASP A 50 -3.545 -7.588 6.121 1.00 0.00 C ATOM 809 CG ASP A 50 -2.985 -8.489 7.204 1.00 0.00 C ATOM 810 OD1 ASP A 50 -3.784 -9.043 7.987 1.00 0.00 O ATOM 811 OD2 ASP A 50 -1.746 -8.639 7.269 1.00 0.00 O ATOM 0 H ASP A 50 -4.256 -8.659 3.351 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.263 -8.878 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.750 -7.329 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.891 -6.657 6.570 1.00 0.00 H new ATOM 816 N LYS A 51 -6.562 -6.717 5.654 1.00 0.00 N ATOM 817 CA LYS A 51 -7.521 -5.692 5.259 1.00 0.00 C ATOM 818 C LYS A 51 -7.448 -4.490 6.195 1.00 0.00 C ATOM 819 O LYS A 51 -7.295 -4.642 7.407 1.00 0.00 O ATOM 820 CB LYS A 51 -8.940 -6.265 5.257 1.00 0.00 C ATOM 821 CG LYS A 51 -10.024 -5.205 5.347 1.00 0.00 C ATOM 822 CD LYS A 51 -11.360 -5.730 4.849 1.00 0.00 C ATOM 823 CE LYS A 51 -12.051 -6.583 5.902 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.532 -6.567 5.744 1.00 0.00 N ATOM 0 H LYS A 51 -6.668 -7.046 6.614 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.268 -5.362 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.087 -6.846 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.046 -6.953 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.125 -4.873 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.732 -4.334 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.003 -4.893 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.206 -6.319 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.689 -7.609 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.788 -6.218 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.966 -7.160 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.880 -5.591 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.785 -6.939 4.806 1.00 0.00 H new ATOM 838 N VAL A 52 -7.559 -3.294 5.625 1.00 0.00 N ATOM 839 CA VAL A 52 -7.509 -2.066 6.409 1.00 0.00 C ATOM 840 C VAL A 52 -8.183 -0.914 5.671 1.00 0.00 C ATOM 841 O VAL A 52 -8.165 -0.856 4.441 1.00 0.00 O ATOM 842 CB VAL A 52 -6.057 -1.670 6.739 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.993 -0.228 7.218 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.471 -2.613 7.779 1.00 0.00 C ATOM 0 H VAL A 52 -7.684 -3.150 4.623 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.045 -2.261 7.338 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.460 -1.753 5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.960 0.034 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.371 0.432 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.603 -0.115 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.445 -2.319 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.067 -2.565 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.481 -3.632 7.393 1.00 0.00 H new ATOM 854 N HIS A 53 -8.776 0.001 6.430 1.00 0.00 N ATOM 855 CA HIS A 53 -9.456 1.153 5.848 1.00 0.00 C ATOM 856 C HIS A 53 -8.503 2.337 5.716 1.00 0.00 C ATOM 857 O HIS A 53 -7.410 2.332 6.283 1.00 0.00 O ATOM 858 CB HIS A 53 -10.661 1.546 6.702 1.00 0.00 C ATOM 859 CG HIS A 53 -11.817 2.065 5.904 1.00 0.00 C ATOM 860 ND1 HIS A 53 -13.040 2.374 6.463 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.932 2.332 4.582 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.856 2.806 5.519 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.209 2.790 4.368 1.00 0.00 N ATOM 0 H HIS A 53 -8.800 -0.032 7.449 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.802 0.875 4.852 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.987 0.679 7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.355 2.307 7.420 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.163 2.208 3.834 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.879 3.119 5.664 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.595 3.072 3.467 1.00 0.00 H new ATOM 872 N MET A 54 -8.924 3.349 4.965 1.00 0.00 N ATOM 873 CA MET A 54 -8.107 4.540 4.760 1.00 0.00 C ATOM 874 C MET A 54 -8.622 5.703 5.601 1.00 0.00 C ATOM 875 O MET A 54 -7.990 6.129 6.568 1.00 0.00 O ATOM 876 CB MET A 54 -8.098 4.929 3.280 1.00 0.00 C ATOM 877 CG MET A 54 -6.910 4.374 2.513 1.00 0.00 C ATOM 878 SD MET A 54 -5.329 4.899 3.204 1.00 0.00 S ATOM 879 CE MET A 54 -5.432 6.672 2.976 1.00 0.00 C ATOM 0 H MET A 54 -9.826 3.369 4.488 1.00 0.00 H new ATOM 0 HA MET A 54 -7.089 4.311 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.018 4.575 2.814 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.097 6.016 3.199 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.959 3.285 2.514 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.972 4.695 1.473 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.428 7.087 2.889 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.995 6.890 2.068 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.937 7.120 3.832 1.00 0.00 H new ATOM 889 N PRO A 55 -9.796 6.232 5.226 1.00 0.00 N ATOM 890 CA PRO A 55 -10.421 7.354 5.933 1.00 0.00 C ATOM 891 C PRO A 55 -10.930 6.957 7.315 1.00 0.00 C ATOM 892 O PRO A 55 -11.536 7.764 8.020 1.00 0.00 O ATOM 893 CB PRO A 55 -11.590 7.740 5.023 1.00 0.00 C ATOM 894 CG PRO A 55 -11.911 6.495 4.271 1.00 0.00 C ATOM 895 CD PRO A 55 -10.604 5.776 4.083 1.00 0.00 C ATOM 0 HA PRO A 55 -9.716 8.166 6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.446 8.084 5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.315 8.551 4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.620 5.878 4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.370 6.727 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.736 4.694 4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.137 6.034 3.132 1.00 0.00 H new ATOM 903 N VAL A 56 -10.679 5.708 7.697 1.00 0.00 N ATOM 904 CA VAL A 56 -11.110 5.205 8.995 1.00 0.00 C ATOM 905 C VAL A 56 -9.923 4.715 9.816 1.00 0.00 C ATOM 906 O VAL A 56 -9.757 5.096 10.975 1.00 0.00 O ATOM 907 CB VAL A 56 -12.124 4.056 8.842 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.161 3.205 10.103 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.506 4.604 8.519 1.00 0.00 C ATOM 0 H VAL A 56 -10.179 5.027 7.125 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.588 6.036 9.514 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.806 3.423 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.883 2.398 9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.173 2.782 10.286 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.454 3.824 10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.210 3.778 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.834 5.261 9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.465 5.166 7.586 1.00 0.00 H new ATOM 919 N ASP A 57 -9.100 3.867 9.209 1.00 0.00 N ATOM 920 CA ASP A 57 -7.926 3.325 9.883 1.00 0.00 C ATOM 921 C ASP A 57 -6.720 4.239 9.692 1.00 0.00 C ATOM 922 O ASP A 57 -6.077 4.645 10.661 1.00 0.00 O ATOM 923 CB ASP A 57 -7.610 1.925 9.355 1.00 0.00 C ATOM 924 CG ASP A 57 -8.284 0.835 10.165 1.00 0.00 C ATOM 925 OD1 ASP A 57 -9.527 0.735 10.104 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.570 0.083 10.860 1.00 0.00 O ATOM 0 H ASP A 57 -9.224 3.540 8.251 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.146 3.262 10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.929 1.851 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.531 1.770 9.369 1.00 0.00 H new ATOM 931 N CYS A 58 -6.417 4.557 8.439 1.00 0.00 N ATOM 932 CA CYS A 58 -5.286 5.421 8.120 1.00 0.00 C ATOM 933 C CYS A 58 -5.551 6.853 8.576 1.00 0.00 C ATOM 934 O CYS A 58 -6.535 7.472 8.169 1.00 0.00 O ATOM 935 CB CYS A 58 -5.005 5.395 6.618 1.00 0.00 C ATOM 936 SG CYS A 58 -3.824 6.649 6.066 1.00 0.00 S ATOM 0 H CYS A 58 -6.939 4.229 7.626 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.412 5.045 8.652 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.626 4.410 6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.943 5.534 6.081 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.831 6.709 6.903 1.00 0.00 H new ATOM 942 N ILE A 59 -4.668 7.372 9.422 1.00 0.00 N ATOM 943 CA ILE A 59 -4.808 8.730 9.933 1.00 0.00 C ATOM 944 C ILE A 59 -3.864 9.687 9.213 1.00 0.00 C ATOM 945 O ILE A 59 -4.160 10.872 9.065 1.00 0.00 O ATOM 946 CB ILE A 59 -4.529 8.793 11.446 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.151 8.207 11.759 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.613 8.053 12.216 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.648 8.549 13.143 1.00 0.00 C ATOM 0 H ILE A 59 -3.848 6.873 9.768 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.839 9.033 9.749 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.537 9.837 11.758 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.194 7.123 11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.435 8.570 11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.402 8.107 13.284 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.581 8.512 12.014 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.634 7.009 11.902 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.666 8.100 13.295 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.572 9.632 13.245 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.343 8.162 13.889 1.00 0.00 H new ATOM 961 N ASN A 60 -2.727 9.164 8.766 1.00 0.00 N ATOM 962 CA ASN A 60 -1.740 9.972 8.059 1.00 0.00 C ATOM 963 C ASN A 60 -1.086 9.173 6.936 1.00 0.00 C ATOM 964 O ASN A 60 -1.102 7.942 6.945 1.00 0.00 O ATOM 965 CB ASN A 60 -0.670 10.474 9.032 1.00 0.00 C ATOM 966 CG ASN A 60 0.318 11.415 8.370 1.00 0.00 C ATOM 967 OD1 ASN A 60 1.548 10.950 8.191 1.00 0.00 O flip ATOM 968 ND2 ASN A 60 -0.022 12.546 8.024 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.466 8.185 8.881 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.254 10.827 7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.152 10.985 9.865 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.133 9.622 9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.979 12.861 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.653 13.168 7.580 1.00 0.00 H new ATOM 975 N ILE A 61 -0.512 9.882 5.970 1.00 0.00 N ATOM 976 CA ILE A 61 0.148 9.240 4.840 1.00 0.00 C ATOM 977 C ILE A 61 1.581 9.738 4.685 1.00 0.00 C ATOM 978 O ILE A 61 1.812 10.900 4.348 1.00 0.00 O ATOM 979 CB ILE A 61 -0.616 9.488 3.526 1.00 0.00 C ATOM 980 CG1 ILE A 61 -2.061 9.002 3.651 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.084 8.794 2.367 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.988 9.590 2.611 1.00 0.00 C ATOM 0 H ILE A 61 -0.491 10.902 5.947 1.00 0.00 H new ATOM 0 HA ILE A 61 0.159 8.170 5.047 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.629 10.560 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.079 7.915 3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.436 9.253 4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.468 8.979 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.097 9.184 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.125 7.721 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.995 9.201 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.000 10.676 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.638 9.317 1.616 1.00 0.00 H new ATOM 994 N ARG A 62 2.540 8.852 4.931 1.00 0.00 N ATOM 995 CA ARG A 62 3.951 9.201 4.817 1.00 0.00 C ATOM 996 C ARG A 62 4.564 8.587 3.562 1.00 0.00 C ATOM 997 O ARG A 62 4.434 7.388 3.316 1.00 0.00 O ATOM 998 CB ARG A 62 4.716 8.729 6.055 1.00 0.00 C ATOM 999 CG ARG A 62 4.438 9.560 7.297 1.00 0.00 C ATOM 1000 CD ARG A 62 4.975 8.886 8.549 1.00 0.00 C ATOM 1001 NE ARG A 62 4.512 9.545 9.767 1.00 0.00 N ATOM 1002 CZ ARG A 62 4.956 9.241 10.982 1.00 0.00 C ATOM 1003 NH1 ARG A 62 5.870 8.293 11.140 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.486 9.887 12.042 1.00 0.00 N ATOM 0 H ARG A 62 2.366 7.887 5.211 1.00 0.00 H new ATOM 0 HA ARG A 62 4.026 10.286 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.456 7.690 6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.785 8.755 5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.894 10.544 7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.364 9.716 7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.663 7.842 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.065 8.893 8.525 1.00 0.00 H new ATOM 0 HE ARG A 62 3.809 10.279 9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.234 7.795 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.209 8.062 12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.784 10.617 11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.827 9.653 12.974 1.00 0.00 H new ATOM 1018 N THR A 63 5.232 9.419 2.768 1.00 0.00 N ATOM 1019 CA THR A 63 5.863 8.959 1.538 1.00 0.00 C ATOM 1020 C THR A 63 7.257 9.556 1.379 1.00 0.00 C ATOM 1021 O THR A 63 7.467 10.743 1.625 1.00 0.00 O ATOM 1022 CB THR A 63 5.018 9.324 0.303 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.826 10.741 0.241 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.667 8.626 0.347 1.00 0.00 C ATOM 0 H THR A 63 5.349 10.415 2.956 1.00 0.00 H new ATOM 0 HA THR A 63 5.941 7.874 1.609 1.00 0.00 H new ATOM 0 HB THR A 63 5.553 8.992 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.431 10.980 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.088 8.899 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.816 7.546 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.128 8.932 1.244 1.00 0.00 H new ATOM 1032 N GLY A 64 8.208 8.724 0.965 1.00 0.00 N ATOM 1033 CA GLY A 64 9.571 9.188 0.780 1.00 0.00 C ATOM 1034 C GLY A 64 10.325 9.308 2.089 1.00 0.00 C ATOM 1035 O GLY A 64 10.227 8.435 2.953 1.00 0.00 O ATOM 0 H GLY A 64 8.059 7.737 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.100 8.499 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.557 10.158 0.282 1.00 0.00 H new ATOM 1039 N HIS A 65 11.082 10.390 2.237 1.00 0.00 N ATOM 1040 CA HIS A 65 11.858 10.620 3.451 1.00 0.00 C ATOM 1041 C HIS A 65 10.963 10.573 4.685 1.00 0.00 C ATOM 1042 O HIS A 65 11.422 10.262 5.784 1.00 0.00 O ATOM 1043 CB HIS A 65 12.573 11.970 3.376 1.00 0.00 C ATOM 1044 CG HIS A 65 13.252 12.216 2.064 1.00 0.00 C ATOM 1045 ND1 HIS A 65 12.744 12.522 0.848 1.00 0.00 N flip ATOM 1046 CD2 HIS A 65 14.620 12.158 1.903 1.00 0.00 C flip ATOM 1047 CE1 HIS A 65 13.803 12.642 -0.018 1.00 0.00 C flip ATOM 1048 NE2 HIS A 65 14.924 12.418 0.644 1.00 0.00 N flip ATOM 0 H HIS A 65 11.175 11.121 1.532 1.00 0.00 H new ATOM 0 HA HIS A 65 12.602 9.827 3.533 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.850 12.765 3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.313 12.025 4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.332 11.935 2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.731 12.881 -1.069 1.00 0.00 H new ATOM 0 HE2 HIS A 65 15.865 12.442 0.250 1.00 0.00 H new ATOM 1057 N GLU A 66 9.684 10.884 4.495 1.00 0.00 N ATOM 1058 CA GLU A 66 8.726 10.878 5.594 1.00 0.00 C ATOM 1059 C GLU A 66 8.771 9.552 6.348 1.00 0.00 C ATOM 1060 O GLU A 66 8.715 9.523 7.578 1.00 0.00 O ATOM 1061 CB GLU A 66 7.311 11.130 5.069 1.00 0.00 C ATOM 1062 CG GLU A 66 6.995 12.601 4.855 1.00 0.00 C ATOM 1063 CD GLU A 66 6.471 13.273 6.109 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.399 12.860 6.599 1.00 0.00 O ATOM 1065 OE2 GLU A 66 7.132 14.212 6.600 1.00 0.00 O ATOM 0 H GLU A 66 9.288 11.143 3.591 1.00 0.00 H new ATOM 0 HA GLU A 66 8.998 11.678 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.182 10.598 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.591 10.711 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.895 13.117 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.256 12.698 4.059 1.00 0.00 H new ATOM 1138 N GLN A 71 13.616 1.017 4.872 1.00 0.00 N ATOM 1139 CA GLN A 71 14.675 1.211 3.889 1.00 0.00 C ATOM 1140 C GLN A 71 14.279 0.621 2.539 1.00 0.00 C ATOM 1141 O GLN A 71 13.727 -0.476 2.451 1.00 0.00 O ATOM 1142 CB GLN A 71 15.976 0.571 4.377 1.00 0.00 C ATOM 1143 CG GLN A 71 15.885 -0.936 4.551 1.00 0.00 C ATOM 1144 CD GLN A 71 17.145 -1.532 5.147 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.140 -0.834 5.348 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.110 -2.828 5.432 1.00 0.00 N ATOM 0 HA GLN A 71 14.830 2.283 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.772 0.799 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.258 1.022 5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.037 -1.173 5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.691 -1.399 3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.264 -3.368 5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.929 -3.284 5.834 1.00 0.00 H new ATOM 1155 N PRO A 72 14.568 1.364 1.460 1.00 0.00 N ATOM 1156 CA PRO A 72 14.251 0.935 0.095 1.00 0.00 C ATOM 1157 C PRO A 72 15.116 -0.236 -0.360 1.00 0.00 C ATOM 1158 O PRO A 72 16.250 -0.410 0.085 1.00 0.00 O ATOM 1159 CB PRO A 72 14.549 2.178 -0.746 1.00 0.00 C ATOM 1160 CG PRO A 72 15.555 2.940 0.046 1.00 0.00 C ATOM 1161 CD PRO A 72 15.225 2.682 1.491 1.00 0.00 C ATOM 0 HA PRO A 72 13.224 0.581 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.940 1.908 -1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.648 2.768 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.567 2.610 -0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.506 4.005 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.121 2.670 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.566 3.450 1.896 1.00 0.00 H new ATOM 1169 N PRO A 73 14.570 -1.059 -1.267 1.00 0.00 N ATOM 1170 CA PRO A 73 15.275 -2.227 -1.803 1.00 0.00 C ATOM 1171 C PRO A 73 16.436 -1.837 -2.711 1.00 0.00 C ATOM 1172 O PRO A 73 16.796 -0.663 -2.805 1.00 0.00 O ATOM 1173 CB PRO A 73 14.194 -2.959 -2.602 1.00 0.00 C ATOM 1174 CG PRO A 73 13.216 -1.898 -2.976 1.00 0.00 C ATOM 1175 CD PRO A 73 13.221 -0.912 -1.841 1.00 0.00 C ATOM 0 HA PRO A 73 15.722 -2.830 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.613 -3.441 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.722 -3.740 -2.006 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.501 -1.417 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.221 -2.319 -3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.042 0.105 -2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.446 -1.138 -1.109 1.00 0.00 H new ATOM 1183 N ASP A 74 17.018 -2.828 -3.377 1.00 0.00 N ATOM 1184 CA ASP A 74 18.138 -2.587 -4.280 1.00 0.00 C ATOM 1185 C ASP A 74 17.653 -2.418 -5.716 1.00 0.00 C ATOM 1186 O ASP A 74 17.218 -3.377 -6.352 1.00 0.00 O ATOM 1187 CB ASP A 74 19.141 -3.740 -4.200 1.00 0.00 C ATOM 1188 CG ASP A 74 20.349 -3.519 -5.090 1.00 0.00 C ATOM 1189 OD1 ASP A 74 21.016 -2.475 -4.936 1.00 0.00 O ATOM 1190 OD2 ASP A 74 20.626 -4.391 -5.939 1.00 0.00 O ATOM 0 H ASP A 74 16.733 -3.805 -3.309 1.00 0.00 H new ATOM 0 HA ASP A 74 18.630 -1.664 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.471 -3.860 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.647 -4.668 -4.487 1.00 0.00 H new ATOM 1195 N GLY A 75 17.729 -1.190 -6.220 1.00 0.00 N ATOM 1196 CA GLY A 75 17.292 -0.916 -7.577 1.00 0.00 C ATOM 1197 C GLY A 75 16.062 -0.032 -7.623 1.00 0.00 C ATOM 1198 O GLY A 75 15.469 0.165 -8.684 1.00 0.00 O ATOM 0 H GLY A 75 18.085 -0.380 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.102 -0.435 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.078 -1.857 -8.084 1.00 0.00 H new ATOM 1202 N LYS A 76 15.676 0.502 -6.469 1.00 0.00 N ATOM 1203 CA LYS A 76 14.508 1.371 -6.381 1.00 0.00 C ATOM 1204 C LYS A 76 14.840 2.654 -5.627 1.00 0.00 C ATOM 1205 O LYS A 76 15.573 2.649 -4.637 1.00 0.00 O ATOM 1206 CB LYS A 76 13.356 0.642 -5.686 1.00 0.00 C ATOM 1207 CG LYS A 76 12.959 -0.656 -6.367 1.00 0.00 C ATOM 1208 CD LYS A 76 11.980 -0.413 -7.504 1.00 0.00 C ATOM 1209 CE LYS A 76 11.604 -1.710 -8.203 1.00 0.00 C ATOM 1210 NZ LYS A 76 12.689 -2.189 -9.104 1.00 0.00 N ATOM 0 H LYS A 76 16.155 0.348 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 76 14.205 1.634 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.641 0.430 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.490 1.302 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.849 -1.153 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.510 -1.329 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.081 0.066 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.422 0.275 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.387 -2.475 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.692 -1.560 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.394 -3.075 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.879 -1.470 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.552 -2.357 -8.549 1.00 0.00 H new ATOM 1224 N PRO A 77 14.289 3.781 -6.102 1.00 0.00 N ATOM 1225 CA PRO A 77 14.512 5.092 -5.486 1.00 0.00 C ATOM 1226 C PRO A 77 13.832 5.217 -4.127 1.00 0.00 C ATOM 1227 O PRO A 77 13.263 4.252 -3.616 1.00 0.00 O ATOM 1228 CB PRO A 77 13.887 6.066 -6.488 1.00 0.00 C ATOM 1229 CG PRO A 77 12.861 5.261 -7.209 1.00 0.00 C ATOM 1230 CD PRO A 77 13.406 3.861 -7.278 1.00 0.00 C ATOM 0 HA PRO A 77 15.569 5.277 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.436 6.920 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.635 6.461 -7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.907 5.283 -6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.683 5.660 -8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.610 3.117 -7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 77 13.954 3.688 -8.204 1.00 0.00 H new ATOM 1238 N ARG A 78 13.894 6.411 -3.547 1.00 0.00 N ATOM 1239 CA ARG A 78 13.285 6.661 -2.246 1.00 0.00 C ATOM 1240 C ARG A 78 11.878 7.231 -2.405 1.00 0.00 C ATOM 1241 O ARG A 78 11.000 6.983 -1.579 1.00 0.00 O ATOM 1242 CB ARG A 78 14.148 7.626 -1.431 1.00 0.00 C ATOM 1243 CG ARG A 78 13.981 7.472 0.072 1.00 0.00 C ATOM 1244 CD ARG A 78 14.981 8.327 0.834 1.00 0.00 C ATOM 1245 NE ARG A 78 16.285 7.678 0.942 1.00 0.00 N ATOM 1246 CZ ARG A 78 16.510 6.599 1.685 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.523 6.052 2.381 1.00 0.00 N ATOM 1248 NH2 ARG A 78 17.724 6.066 1.732 1.00 0.00 N ATOM 0 H ARG A 78 14.360 7.220 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 78 13.217 5.711 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.195 7.470 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.899 8.649 -1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.968 7.754 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.110 6.426 0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.094 9.287 0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.595 8.534 1.832 1.00 0.00 H new ATOM 0 HE ARG A 78 17.066 8.074 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.588 6.459 2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.698 5.224 2.950 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.486 6.484 1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.896 5.238 2.302 1.00 0.00 H new ATOM 1262 N ASP A 79 11.673 7.996 -3.472 1.00 0.00 N ATOM 1263 CA ASP A 79 10.374 8.601 -3.741 1.00 0.00 C ATOM 1264 C ASP A 79 9.326 7.531 -4.035 1.00 0.00 C ATOM 1265 O ASP A 79 8.132 7.822 -4.111 1.00 0.00 O ATOM 1266 CB ASP A 79 10.473 9.573 -4.918 1.00 0.00 C ATOM 1267 CG ASP A 79 9.372 10.615 -4.903 1.00 0.00 C ATOM 1268 OD1 ASP A 79 9.158 11.236 -3.841 1.00 0.00 O ATOM 1269 OD2 ASP A 79 8.723 10.808 -5.952 1.00 0.00 O ATOM 0 H ASP A 79 12.390 8.212 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 79 10.066 9.151 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.442 10.072 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.427 9.013 -5.852 1.00 0.00 H new ATOM 1274 N CYS A 80 9.782 6.295 -4.200 1.00 0.00 N ATOM 1275 CA CYS A 80 8.884 5.181 -4.488 1.00 0.00 C ATOM 1276 C CYS A 80 8.471 4.470 -3.204 1.00 0.00 C ATOM 1277 O CYS A 80 7.903 3.378 -3.242 1.00 0.00 O ATOM 1278 CB CYS A 80 9.556 4.191 -5.441 1.00 0.00 C ATOM 1279 SG CYS A 80 10.781 3.122 -4.651 1.00 0.00 S ATOM 0 H CYS A 80 10.767 6.038 -4.140 1.00 0.00 H new ATOM 0 HA CYS A 80 7.989 5.581 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.789 3.568 -5.901 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.039 4.747 -6.244 1.00 0.00 H new ATOM 0 HG CYS A 80 11.636 3.851 -3.997 1.00 0.00 H new ATOM 1285 N LEU A 81 8.763 5.094 -2.068 1.00 0.00 N ATOM 1286 CA LEU A 81 8.423 4.520 -0.771 1.00 0.00 C ATOM 1287 C LEU A 81 7.100 5.078 -0.258 1.00 0.00 C ATOM 1288 O LEU A 81 6.936 6.292 -0.124 1.00 0.00 O ATOM 1289 CB LEU A 81 9.535 4.801 0.240 1.00 0.00 C ATOM 1290 CG LEU A 81 10.819 3.988 0.070 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.821 4.338 1.160 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.512 2.498 0.084 1.00 0.00 C ATOM 0 H LEU A 81 9.234 5.997 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 81 8.317 3.442 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.789 5.860 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.143 4.619 1.241 1.00 0.00 H new ATOM 0 HG LEU A 81 11.260 4.239 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.728 3.750 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.064 5.399 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.389 4.116 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.437 1.935 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.047 2.231 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.831 2.259 -0.733 1.00 0.00 H new ATOM 1304 N LEU A 82 6.159 4.186 0.030 1.00 0.00 N ATOM 1305 CA LEU A 82 4.850 4.590 0.532 1.00 0.00 C ATOM 1306 C LEU A 82 4.586 3.991 1.910 1.00 0.00 C ATOM 1307 O LEU A 82 4.852 2.813 2.146 1.00 0.00 O ATOM 1308 CB LEU A 82 3.753 4.157 -0.443 1.00 0.00 C ATOM 1309 CG LEU A 82 2.392 4.831 -0.263 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.314 6.105 -1.089 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.270 3.876 -0.646 1.00 0.00 C ATOM 0 H LEU A 82 6.278 3.178 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 82 4.842 5.676 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.100 4.349 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.618 3.079 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 82 2.275 5.096 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.339 6.571 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.095 6.795 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.452 5.864 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.309 4.372 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.384 3.581 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.313 2.991 -0.012 1.00 0.00 H new ATOM 1323 N GLN A 83 4.060 4.810 2.814 1.00 0.00 N ATOM 1324 CA GLN A 83 3.759 4.360 4.168 1.00 0.00 C ATOM 1325 C GLN A 83 2.367 4.814 4.596 1.00 0.00 C ATOM 1326 O GLN A 83 1.903 5.883 4.199 1.00 0.00 O ATOM 1327 CB GLN A 83 4.805 4.891 5.149 1.00 0.00 C ATOM 1328 CG GLN A 83 5.038 3.980 6.343 1.00 0.00 C ATOM 1329 CD GLN A 83 6.233 4.401 7.176 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.251 5.491 7.749 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.239 3.538 7.247 1.00 0.00 N ATOM 0 H GLN A 83 3.833 5.788 2.634 1.00 0.00 H new ATOM 0 HA GLN A 83 3.784 3.270 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.748 5.032 4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.491 5.871 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.147 3.975 6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.187 2.959 5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.181 2.646 6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.070 3.767 7.793 1.00 0.00 H new ATOM 1340 N ILE A 84 1.706 3.995 5.407 1.00 0.00 N ATOM 1341 CA ILE A 84 0.368 4.313 5.888 1.00 0.00 C ATOM 1342 C ILE A 84 0.300 4.241 7.410 1.00 0.00 C ATOM 1343 O ILE A 84 0.252 3.156 7.990 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.686 3.361 5.293 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.447 3.174 3.793 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.088 3.895 5.549 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.889 4.357 2.960 1.00 0.00 C ATOM 0 H ILE A 84 2.076 3.106 5.745 1.00 0.00 H new ATOM 0 HA ILE A 84 0.150 5.331 5.564 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.594 2.391 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.615 2.995 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.978 2.284 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.821 3.211 5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.254 3.981 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.194 4.876 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.690 4.156 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.957 4.523 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.339 5.246 3.270 1.00 0.00 H new ATOM 1359 N VAL A 85 0.293 5.404 8.053 1.00 0.00 N ATOM 1360 CA VAL A 85 0.228 5.474 9.507 1.00 0.00 C ATOM 1361 C VAL A 85 -1.192 5.228 10.006 1.00 0.00 C ATOM 1362 O VAL A 85 -2.120 5.957 9.654 1.00 0.00 O ATOM 1363 CB VAL A 85 0.712 6.841 10.026 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.621 6.899 11.544 1.00 0.00 C ATOM 1365 CG2 VAL A 85 2.134 7.115 9.559 1.00 0.00 C ATOM 0 H VAL A 85 0.332 6.311 7.589 1.00 0.00 H new ATOM 0 HA VAL A 85 0.886 4.694 9.891 1.00 0.00 H new ATOM 0 HB VAL A 85 0.063 7.616 9.617 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.967 7.872 11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.414 6.750 11.852 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.244 6.116 11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.460 8.085 9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.798 6.338 9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.165 7.119 8.469 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.354 4.197 10.828 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.661 3.853 11.375 1.00 0.00 C ATOM 1377 C CYS A 86 -2.964 4.681 12.620 1.00 0.00 C ATOM 1378 O CYS A 86 -2.100 5.398 13.126 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.721 2.363 11.713 1.00 0.00 C ATOM 1380 SG CYS A 86 -4.378 1.648 11.609 1.00 0.00 S ATOM 0 H CYS A 86 -0.596 3.585 11.130 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.413 4.077 10.619 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.060 1.821 11.036 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.336 2.215 12.722 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.234 2.579 11.308 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.196 4.578 13.108 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.613 5.320 14.291 1.00 0.00 C ATOM 1388 C ARG A 87 -3.704 5.009 15.476 1.00 0.00 C ATOM 1389 O ARG A 87 -3.039 5.897 16.011 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.063 4.983 14.645 1.00 0.00 C ATOM 1391 CG ARG A 87 -7.083 5.848 13.924 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.499 5.337 14.139 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.985 5.623 15.487 1.00 0.00 N ATOM 1394 CZ ARG A 87 -10.204 5.310 15.910 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -11.057 4.703 15.096 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -10.573 5.603 17.151 1.00 0.00 N ATOM 0 H ARG A 87 -4.922 3.988 12.702 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.538 6.384 14.067 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.253 3.937 14.406 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.201 5.094 15.721 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.008 6.875 14.281 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.859 5.864 12.857 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.165 5.796 13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.527 4.261 13.964 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.353 6.089 16.139 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.777 4.475 14.142 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.993 4.464 15.424 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.920 6.069 17.781 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.510 5.362 17.475 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.681 3.745 15.882 1.00 0.00 N ATOM 1411 CA ASP A 88 -2.852 3.316 17.003 1.00 0.00 C ATOM 1412 C ASP A 88 -1.375 3.565 16.714 1.00 0.00 C ATOM 1413 O ASP A 88 -0.721 4.347 17.401 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.085 1.834 17.300 1.00 0.00 C ATOM 1415 CG ASP A 88 -2.857 1.493 18.759 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -1.681 1.427 19.177 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -3.853 1.292 19.484 1.00 0.00 O ATOM 0 H ASP A 88 -4.227 2.999 15.452 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.135 3.902 17.877 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.105 1.567 17.023 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.419 1.233 16.681 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.856 2.891 15.692 1.00 0.00 N ATOM 1423 CA GLY A 89 0.540 3.051 15.331 1.00 0.00 C ATOM 1424 C GLY A 89 0.963 2.112 14.218 1.00 0.00 C ATOM 1425 O GLY A 89 1.851 2.433 13.428 1.00 0.00 O ATOM 0 H GLY A 89 -1.378 2.237 15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.716 4.081 15.020 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.162 2.873 16.208 1.00 0.00 H new ATOM 1429 N LYS A 90 0.326 0.948 14.155 1.00 0.00 N ATOM 1430 CA LYS A 90 0.640 -0.042 13.131 1.00 0.00 C ATOM 1431 C LYS A 90 0.985 0.634 11.808 1.00 0.00 C ATOM 1432 O LYS A 90 0.100 1.074 11.073 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.541 -0.995 12.935 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.194 -2.237 12.132 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.439 -3.017 11.744 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.222 -3.812 10.466 1.00 0.00 C ATOM 1437 NZ LYS A 90 -0.207 -4.886 10.646 1.00 0.00 N ATOM 0 H LYS A 90 -0.411 0.667 14.801 1.00 0.00 H new ATOM 0 HA LYS A 90 1.507 -0.611 13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.919 -1.298 13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.348 -0.462 12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.351 -1.949 11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.469 -2.875 12.716 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.712 -3.694 12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.273 -2.329 11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.166 -4.254 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.902 -3.140 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.088 -5.405 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.701 -4.462 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.524 -5.542 11.388 1.00 0.00 H new ATOM 1451 N THR A 91 2.278 0.714 11.509 1.00 0.00 N ATOM 1452 CA THR A 91 2.741 1.336 10.275 1.00 0.00 C ATOM 1453 C THR A 91 3.049 0.287 9.213 1.00 0.00 C ATOM 1454 O THR A 91 3.688 -0.728 9.496 1.00 0.00 O ATOM 1455 CB THR A 91 3.998 2.193 10.514 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.788 3.071 11.626 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.342 3.007 9.276 1.00 0.00 C ATOM 0 H THR A 91 3.024 0.355 12.105 1.00 0.00 H new ATOM 0 HA THR A 91 1.934 1.979 9.924 1.00 0.00 H new ATOM 0 HB THR A 91 4.831 1.524 10.732 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.014 2.765 12.143 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.233 3.604 9.469 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.530 2.334 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.509 3.667 9.031 1.00 0.00 H new ATOM 1465 N ILE A 92 2.593 0.537 7.990 1.00 0.00 N ATOM 1466 CA ILE A 92 2.823 -0.386 6.886 1.00 0.00 C ATOM 1467 C ILE A 92 3.805 0.199 5.876 1.00 0.00 C ATOM 1468 O ILE A 92 3.556 1.254 5.293 1.00 0.00 O ATOM 1469 CB ILE A 92 1.509 -0.737 6.163 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.543 -1.432 7.125 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.788 -1.619 4.955 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.898 -1.392 6.667 1.00 0.00 C ATOM 0 H ILE A 92 2.062 1.371 7.739 1.00 0.00 H new ATOM 0 HA ILE A 92 3.245 -1.294 7.316 1.00 0.00 H new ATOM 0 HB ILE A 92 1.045 0.186 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.849 -2.471 7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.618 -0.961 8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.850 -1.858 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.444 -1.091 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.271 -2.540 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.526 -1.903 7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.221 -0.355 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.987 -1.889 5.701 1.00 0.00 H new ATOM 1484 N SER A 93 4.920 -0.495 5.673 1.00 0.00 N ATOM 1485 CA SER A 93 5.941 -0.043 4.735 1.00 0.00 C ATOM 1486 C SER A 93 5.713 -0.647 3.352 1.00 0.00 C ATOM 1487 O SER A 93 5.706 -1.868 3.188 1.00 0.00 O ATOM 1488 CB SER A 93 7.334 -0.419 5.244 1.00 0.00 C ATOM 1489 OG SER A 93 7.388 -0.375 6.660 1.00 0.00 O ATOM 0 H SER A 93 5.139 -1.372 6.145 1.00 0.00 H new ATOM 0 HA SER A 93 5.872 1.042 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.593 -1.419 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.074 0.264 4.827 1.00 0.00 H new ATOM 0 HG SER A 93 8.288 -0.621 6.961 1.00 0.00 H new ATOM 1495 N LEU A 94 5.527 0.217 2.360 1.00 0.00 N ATOM 1496 CA LEU A 94 5.298 -0.229 0.990 1.00 0.00 C ATOM 1497 C LEU A 94 6.251 0.468 0.025 1.00 0.00 C ATOM 1498 O LEU A 94 6.785 1.536 0.327 1.00 0.00 O ATOM 1499 CB LEU A 94 3.849 0.041 0.580 1.00 0.00 C ATOM 1500 CG LEU A 94 2.778 -0.364 1.593 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.459 0.326 1.280 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.601 -1.875 1.607 1.00 0.00 C ATOM 0 H LEU A 94 5.530 1.230 2.479 1.00 0.00 H new ATOM 0 HA LEU A 94 5.487 -1.302 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.743 1.106 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.653 -0.484 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 94 3.104 -0.047 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.709 0.026 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.595 1.407 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.127 0.041 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.835 -2.145 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.298 -2.215 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.544 -2.349 1.880 1.00 0.00 H new ATOM 1514 N CYS A 95 6.456 -0.141 -1.138 1.00 0.00 N ATOM 1515 CA CYS A 95 7.344 0.422 -2.149 1.00 0.00 C ATOM 1516 C CYS A 95 6.813 0.147 -3.553 1.00 0.00 C ATOM 1517 O CYS A 95 6.684 -1.006 -3.963 1.00 0.00 O ATOM 1518 CB CYS A 95 8.752 -0.156 -2.001 1.00 0.00 C ATOM 1519 SG CYS A 95 9.881 0.300 -3.338 1.00 0.00 S ATOM 0 H CYS A 95 6.020 -1.024 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 95 7.385 1.501 -2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.173 0.180 -1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.684 -1.243 -1.952 1.00 0.00 H new ATOM 0 HG CYS A 95 9.872 1.591 -3.493 1.00 0.00 H new ATOM 1525 N ALA A 96 6.505 1.214 -4.283 1.00 0.00 N ATOM 1526 CA ALA A 96 5.988 1.087 -5.640 1.00 0.00 C ATOM 1527 C ALA A 96 7.084 0.652 -6.607 1.00 0.00 C ATOM 1528 O ALA A 96 8.263 0.630 -6.253 1.00 0.00 O ATOM 1529 CB ALA A 96 5.372 2.402 -6.095 1.00 0.00 C ATOM 0 H ALA A 96 6.605 2.176 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 96 5.216 0.318 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.990 2.293 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.554 2.671 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.130 3.185 -6.075 1.00 0.00 H new ATOM 1535 N GLU A 97 6.688 0.307 -7.827 1.00 0.00 N ATOM 1536 CA GLU A 97 7.638 -0.129 -8.844 1.00 0.00 C ATOM 1537 C GLU A 97 8.387 1.062 -9.435 1.00 0.00 C ATOM 1538 O GLU A 97 9.561 0.958 -9.789 1.00 0.00 O ATOM 1539 CB GLU A 97 6.916 -0.893 -9.955 1.00 0.00 C ATOM 1540 CG GLU A 97 7.853 -1.642 -10.888 1.00 0.00 C ATOM 1541 CD GLU A 97 7.298 -1.769 -12.293 1.00 0.00 C ATOM 1542 OE1 GLU A 97 6.241 -2.412 -12.457 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.921 -1.225 -13.229 1.00 0.00 O ATOM 0 H GLU A 97 5.716 0.321 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 97 8.361 -0.792 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.222 -1.603 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.320 -0.191 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.812 -1.125 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.042 -2.637 -10.485 1.00 0.00 H new ATOM 1550 N SER A 98 7.698 2.194 -9.540 1.00 0.00 N ATOM 1551 CA SER A 98 8.295 3.404 -10.092 1.00 0.00 C ATOM 1552 C SER A 98 7.674 4.650 -9.468 1.00 0.00 C ATOM 1553 O SER A 98 6.488 4.670 -9.139 1.00 0.00 O ATOM 1554 CB SER A 98 8.117 3.439 -11.611 1.00 0.00 C ATOM 1555 OG SER A 98 9.116 4.235 -12.224 1.00 0.00 O ATOM 0 H SER A 98 6.726 2.298 -9.250 1.00 0.00 H new ATOM 0 HA SER A 98 9.359 3.393 -9.858 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.161 2.425 -12.009 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.131 3.835 -11.856 1.00 0.00 H new ATOM 0 HG SER A 98 8.981 4.239 -13.195 1.00 0.00 H new ATOM 1561 N THR A 99 8.486 5.691 -9.307 1.00 0.00 N ATOM 1562 CA THR A 99 8.019 6.941 -8.721 1.00 0.00 C ATOM 1563 C THR A 99 6.589 7.250 -9.152 1.00 0.00 C ATOM 1564 O THR A 99 5.738 7.576 -8.325 1.00 0.00 O ATOM 1565 CB THR A 99 8.928 8.120 -9.115 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.293 7.807 -8.819 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.522 9.387 -8.377 1.00 0.00 C ATOM 0 H THR A 99 9.470 5.693 -9.574 1.00 0.00 H new ATOM 0 HA THR A 99 8.050 6.814 -7.639 1.00 0.00 H new ATOM 0 HB THR A 99 8.819 8.291 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.864 8.561 -9.074 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.178 10.206 -8.672 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.492 9.640 -8.627 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.605 9.224 -7.302 1.00 0.00 H new ATOM 1575 N ASP A 100 6.333 7.145 -10.452 1.00 0.00 N ATOM 1576 CA ASP A 100 5.005 7.412 -10.993 1.00 0.00 C ATOM 1577 C ASP A 100 3.952 6.557 -10.294 1.00 0.00 C ATOM 1578 O ASP A 100 2.882 7.046 -9.932 1.00 0.00 O ATOM 1579 CB ASP A 100 4.981 7.144 -12.498 1.00 0.00 C ATOM 1580 CG ASP A 100 3.585 6.854 -13.012 1.00 0.00 C ATOM 1581 OD1 ASP A 100 2.778 7.802 -13.107 1.00 0.00 O ATOM 1582 OD2 ASP A 100 3.299 5.678 -13.321 1.00 0.00 O ATOM 0 H ASP A 100 7.027 6.877 -11.150 1.00 0.00 H new ATOM 0 HA ASP A 100 4.771 8.462 -10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.387 8.008 -13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.631 6.299 -12.724 1.00 0.00 H new ATOM 1587 N ASP A 101 4.263 5.278 -10.110 1.00 0.00 N ATOM 1588 CA ASP A 101 3.343 4.355 -9.455 1.00 0.00 C ATOM 1589 C ASP A 101 3.126 4.747 -7.997 1.00 0.00 C ATOM 1590 O ASP A 101 2.023 4.614 -7.466 1.00 0.00 O ATOM 1591 CB ASP A 101 3.878 2.925 -9.538 1.00 0.00 C ATOM 1592 CG ASP A 101 3.480 2.231 -10.826 1.00 0.00 C ATOM 1593 OD1 ASP A 101 3.379 2.918 -11.864 1.00 0.00 O ATOM 1594 OD2 ASP A 101 3.271 1.000 -10.796 1.00 0.00 O ATOM 0 H ASP A 101 5.144 4.857 -10.405 1.00 0.00 H new ATOM 0 HA ASP A 101 2.385 4.407 -9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.965 2.942 -9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.505 2.351 -8.689 1.00 0.00 H new ATOM 1599 N CYS A 102 4.185 5.228 -7.356 1.00 0.00 N ATOM 1600 CA CYS A 102 4.111 5.638 -5.958 1.00 0.00 C ATOM 1601 C CYS A 102 3.237 6.877 -5.800 1.00 0.00 C ATOM 1602 O CYS A 102 2.474 6.994 -4.840 1.00 0.00 O ATOM 1603 CB CYS A 102 5.512 5.914 -5.411 1.00 0.00 C ATOM 1604 SG CYS A 102 5.644 5.774 -3.613 1.00 0.00 S ATOM 0 H CYS A 102 5.105 5.344 -7.781 1.00 0.00 H new ATOM 0 HA CYS A 102 3.661 4.824 -5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.214 5.218 -5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.816 6.917 -5.710 1.00 0.00 H new ATOM 0 HG CYS A 102 6.635 6.503 -3.193 1.00 0.00 H new ATOM 1610 N LEU A 103 3.354 7.802 -6.746 1.00 0.00 N ATOM 1611 CA LEU A 103 2.575 9.035 -6.712 1.00 0.00 C ATOM 1612 C LEU A 103 1.102 8.757 -6.993 1.00 0.00 C ATOM 1613 O LEU A 103 0.219 9.311 -6.339 1.00 0.00 O ATOM 1614 CB LEU A 103 3.121 10.035 -7.733 1.00 0.00 C ATOM 1615 CG LEU A 103 4.378 10.799 -7.318 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.959 11.554 -8.503 1.00 0.00 C ATOM 1617 CD2 LEU A 103 4.068 11.754 -6.174 1.00 0.00 C ATOM 0 H LEU A 103 3.981 7.722 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 103 2.661 9.462 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.334 9.499 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.338 10.759 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 103 5.120 10.079 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.853 12.092 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.219 10.848 -9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.222 12.264 -8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.974 12.290 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.309 12.468 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.699 11.189 -5.318 1.00 0.00 H new ATOM 1629 N ALA A 104 0.844 7.893 -7.970 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.522 7.538 -8.335 1.00 0.00 C ATOM 1631 C ALA A 104 -1.285 6.986 -7.135 1.00 0.00 C ATOM 1632 O ALA A 104 -2.430 7.365 -6.888 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.518 6.526 -9.471 1.00 0.00 C ATOM 0 H ALA A 104 1.563 7.426 -8.523 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.029 8.443 -8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.544 6.270 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.018 6.955 -10.339 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.011 5.627 -9.155 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.644 6.089 -6.394 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.263 5.485 -5.220 1.00 0.00 C ATOM 1641 C TRP A 105 -1.508 6.528 -4.136 1.00 0.00 C ATOM 1642 O TRP A 105 -2.595 6.600 -3.563 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.381 4.361 -4.674 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.690 3.021 -5.269 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.131 2.266 -6.058 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.905 2.279 -5.125 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.502 1.099 -6.413 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.752 1.082 -5.852 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.108 2.507 -4.450 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.757 0.121 -5.924 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.104 1.552 -4.522 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.923 0.371 -5.254 1.00 0.00 C ATOM 0 H TRP A 105 0.304 5.764 -6.585 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.224 5.069 -5.521 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.664 4.603 -4.866 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.502 4.307 -3.592 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.130 2.545 -6.358 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.106 0.364 -6.999 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.256 3.414 -3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.621 -0.789 -6.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.038 1.719 -4.005 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.720 -0.357 -5.290 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.491 7.337 -3.858 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.595 8.378 -2.843 1.00 0.00 C ATOM 1665 C LYS A 106 -1.812 9.264 -3.095 1.00 0.00 C ATOM 1666 O LYS A 106 -2.689 9.388 -2.241 1.00 0.00 O ATOM 1667 CB LYS A 106 0.675 9.231 -2.825 1.00 0.00 C ATOM 1668 CG LYS A 106 0.536 10.512 -2.021 1.00 0.00 C ATOM 1669 CD LYS A 106 1.891 11.053 -1.596 1.00 0.00 C ATOM 1670 CE LYS A 106 1.774 12.454 -1.014 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.168 12.440 0.346 1.00 0.00 N ATOM 0 H LYS A 106 0.416 7.291 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.714 7.894 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.493 8.640 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.948 9.483 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.014 11.261 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.075 10.324 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.334 10.386 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.563 11.069 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.762 12.911 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.168 13.073 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.105 13.413 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.215 12.027 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.760 11.871 0.984 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.857 9.876 -4.274 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.967 10.749 -4.639 1.00 0.00 C ATOM 1687 C PHE A 107 -4.306 10.064 -4.383 1.00 0.00 C ATOM 1688 O PHE A 107 -5.210 10.645 -3.783 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.861 11.155 -6.110 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.548 11.792 -6.464 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -0.838 12.518 -5.520 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -1.022 11.664 -7.739 1.00 0.00 C ATOM 1693 CE1 PHE A 107 0.370 13.105 -5.844 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.187 12.249 -8.068 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.884 12.970 -7.118 1.00 0.00 C ATOM 0 H PHE A 107 -1.139 9.784 -4.992 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.913 11.643 -4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.007 10.273 -6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.668 11.849 -6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.233 12.626 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.563 11.101 -8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.912 13.670 -5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.586 12.142 -9.066 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.829 13.427 -7.371 1.00 0.00 H new ATOM 1705 N THR A 108 -4.426 8.822 -4.844 1.00 0.00 N ATOM 1706 CA THR A 108 -5.653 8.057 -4.668 1.00 0.00 C ATOM 1707 C THR A 108 -6.004 7.912 -3.191 1.00 0.00 C ATOM 1708 O THR A 108 -7.168 8.029 -2.805 1.00 0.00 O ATOM 1709 CB THR A 108 -5.537 6.656 -5.296 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.102 6.763 -6.656 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.870 5.925 -5.240 1.00 0.00 C ATOM 0 H THR A 108 -3.687 8.325 -5.342 1.00 0.00 H new ATOM 0 HA THR A 108 -6.445 8.609 -5.174 1.00 0.00 H new ATOM 0 HB THR A 108 -4.804 6.086 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.128 6.868 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.763 4.938 -5.690 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.183 5.819 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.620 6.494 -5.789 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.991 7.658 -2.370 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.193 7.497 -0.934 1.00 0.00 C ATOM 1721 C LEU A 109 -5.590 8.821 -0.289 1.00 0.00 C ATOM 1722 O LEU A 109 -6.495 8.869 0.543 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.920 6.959 -0.278 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.430 5.600 -0.780 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.961 5.404 -0.438 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.271 4.478 -0.191 1.00 0.00 C ATOM 0 H LEU A 109 -4.022 7.559 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.002 6.783 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.123 7.688 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.091 6.887 0.796 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.537 5.575 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.629 4.432 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.370 6.189 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.830 5.450 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.907 3.519 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.197 4.500 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.312 4.610 -0.487 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.908 9.893 -0.681 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.191 11.217 -0.141 1.00 0.00 C ATOM 1740 C GLN A 110 -6.603 11.664 -0.507 1.00 0.00 C ATOM 1741 O GLN A 110 -7.130 12.619 0.064 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.172 12.232 -0.662 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.887 12.275 0.149 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.148 13.590 0.002 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -1.763 13.980 -1.101 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.944 14.283 1.117 1.00 0.00 N ATOM 0 H GLN A 110 -4.156 9.870 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.116 11.162 0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.930 11.993 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.626 13.223 -0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.120 12.109 1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.236 11.460 -0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.280 13.923 2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.451 15.175 1.080 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.210 10.966 -1.461 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.562 11.290 -1.903 1.00 0.00 C ATOM 1757 C ASP A 111 -9.596 10.493 -1.115 1.00 0.00 C ATOM 1758 O ASP A 111 -10.628 11.026 -0.709 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.713 11.010 -3.398 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.990 11.593 -3.970 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -11.082 11.158 -3.548 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -9.898 12.484 -4.841 1.00 0.00 O ATOM 0 H ASP A 111 -6.788 10.173 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.733 12.351 -1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.857 11.425 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.702 9.933 -3.566 1.00 0.00 H new ATOM 1767 N SER A 112 -9.313 9.211 -0.905 1.00 0.00 N ATOM 1768 CA SER A 112 -10.221 8.338 -0.170 1.00 0.00 C ATOM 1769 C SER A 112 -10.512 8.901 1.218 1.00 0.00 C ATOM 1770 O SER A 112 -11.508 8.545 1.848 1.00 0.00 O ATOM 1771 CB SER A 112 -9.626 6.934 -0.049 1.00 0.00 C ATOM 1772 OG SER A 112 -8.620 6.891 0.948 1.00 0.00 O ATOM 0 H SER A 112 -8.462 8.754 -1.233 1.00 0.00 H new ATOM 0 HA SER A 112 -11.158 8.281 -0.724 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.414 6.221 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.206 6.630 -1.008 1.00 0.00 H new ATOM 0 HG SER A 112 -7.949 7.582 0.766 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.636 9.783 1.687 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.797 10.395 3.001 1.00 0.00 C ATOM 1780 C ARG A 113 -11.164 11.061 3.126 1.00 0.00 C ATOM 1781 O ARG A 113 -12.024 10.603 3.879 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.692 11.424 3.246 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.318 10.805 3.451 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.225 11.862 3.445 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.573 13.004 2.604 1.00 0.00 N ATOM 1786 CZ ARG A 113 -7.339 14.010 3.010 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -7.835 14.015 4.240 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -7.610 15.014 2.186 1.00 0.00 N ATOM 0 H ARG A 113 -8.808 10.090 1.177 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.725 9.609 3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.650 12.108 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.948 12.018 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.298 10.265 4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.125 10.076 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -6.046 12.204 4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.295 11.420 3.089 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.208 13.030 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.628 13.245 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.423 14.789 4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.230 15.014 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.198 15.786 2.499 1.00 0.00 H new